data_r5t3fsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-11-30 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5t3f 
_cell.length_a      77.3700 
_cell.length_b      77.3700 
_cell.length_c      37.3060 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.979 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.450 
_diffrn_reflns.pdbx_d_res_low    33.604 
_diffrn_reflns.limit_h_max       53 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       37 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       25 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            20028 
_diffrn_reflns.pdbx_number_obs   20028 
# 
_entry.id   5t3f 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5t3f 
_symmetry.space_group_name_H-M   "P 43 21 2" 
_symmetry.Int_Tables_number      96 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-Y+1/2,  X+1/2,  Z+3/4"  
3 "-X,  -Y,  Z+1/2"         
4 "Y+1/2,  -X+1/2,  Z+1/4"  
5 "X+1/2,  -Y+1/2,  -Z+1/4" 
6 "Y,  X,  -Z"              
7 "-X+1/2,  Y+1/2,  -Z+3/4" 
8 "-Y,  -X,  -Z+1/2"        
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  4  o 524.2933 10.91575  2753.075       114.3505  2753.075       114.3505  2753.075       114.3505  524.2933 10.91575  524.2933 10.91575  0.000000       0.000000  
1 1 1 0  0  8  o 993.0593 20.45533  9881.852       405.8829  9881.852       405.8829  9881.852       405.8829  993.0593 20.45533  993.0593 20.45533  0.000000       0.000000  
1 1 1 0  0  12 o 803.2345 17.09803  6466.984       274.3974  6466.984       274.3974  6466.984       274.3974  803.2345 17.09803  803.2345 17.09803  -0.000000      0.000000  
1 1 1 0  0  16 o 829.3402 18.08655  6910.368       299.6805  6910.368       299.6805  6910.368       299.6805  829.3402 18.08655  829.3402 18.08655  -0.000000      0.000000  
1 1 1 0  0  20 o 145.9650 7.133294  214.9016       20.71823  214.9016       20.71823  214.9016       20.71823  145.9650 7.133294  145.9650 7.133294  0.000000       0.000000  
1 1 1 1  0  1  o 215.0296 3.687590  462.8341       15.84840  462.8341       15.84840  462.8341       15.84840  215.0296 3.687590  215.0296 3.687590  0.000000       0.000000  
1 1 1 1  0  2  o 740.4736 7.590672  5487.224       112.3873  5487.224       112.3873  5487.224       112.3873  740.4736 7.590672  740.4736 7.590672  0.000000       0.000000  
1 1 1 1  0  3  o 551.3390 5.709812  3041.501       62.94568  3041.501       62.94568  3041.501       62.94568  551.3390 5.709812  551.3390 5.709812  -0.000000      0.000000  
1 1 1 1  0  4  o 269.8741 2.869892  728.6165       15.48626  728.6165       15.48626  728.6165       15.48626  269.8741 2.869892  269.8741 2.869892  0.000000       0.000000  
1 1 1 1  0  5  o 305.9577 3.266715  936.5325       19.98442  936.5325       19.98442  936.5325       19.98442  305.9577 3.266715  305.9577 3.266715  0.000000       0.000000  
1 1 1 1  0  6  o 315.7138 3.392229  997.2578       21.41392  997.2578       21.41392  997.2578       21.41392  315.7138 3.392229  315.7138 3.392229  -0.000000      0.000000  
1 1 1 1  0  7  o 194.9729 2.229518  380.3139       8.691362  380.3139       8.691362  380.3139       8.691362  194.9729 2.229518  194.9729 2.229518  0.000000       0.000000  
1 1 1 1  0  8  f 158.7656 1.924456  252.1830       6.108732  252.1830       6.108732  252.1830       6.108732  158.7656 1.924456  158.7656 1.924456  0.000000       0.000000  
1 1 1 1  0  9  o 468.8064 4.928785  2198.858       46.20145  2198.858       46.20145  2198.858       46.20145  468.8064 4.928785  468.8064 4.928785  -0.000000      0.000000  
1 1 1 1  0  10 o 146.8345 2.084328  215.7402       6.118262  215.7402       6.118262  215.7402       6.118262  146.8345 2.084328  146.8345 2.084328  -0.000000      0.000000  
1 1 1 1  0  11 o 284.8516 3.237810  811.7943       18.44056  811.7943       18.44056  811.7943       18.44056  284.8516 3.237810  284.8516 3.237810  0.000000       0.000000  
1 1 1 1  0  12 o 294.3777 3.508774  867.0969       20.65152  867.0969       20.65152  867.0969       20.65152  294.3777 3.508774  294.3777 3.508774  -0.000000      0.000000  
1 1 1 1  0  13 o 419.5080 4.601454  1761.288       38.59651  1761.288       38.59651  1761.288       38.59651  419.5080 4.601454  419.5080 4.601454  0.000000       0.000000  
1 1 1 1  0  14 o 181.2090 2.528111  328.6136       9.158334  328.6136       9.158334  328.6136       9.158334  181.2090 2.528111  181.2090 2.528111  0.000000       0.000000  
1 1 1 1  0  15 o 161.5963 2.602268  261.3985       8.405463  261.3985       8.405463  261.3985       8.405463  161.5963 2.602268  161.5963 2.602268  0.000000       0.000000  
1 1 1 1  0  16 o 302.8409 3.933499  918.1587       23.81548  918.1587       23.81548  918.1587       23.81548  302.8409 3.933499  302.8409 3.933499  -0.000000      0.000000  
1 1 1 1  0  17 o 119.8950 3.448048  144.1890       8.252983  144.1890       8.252983  144.1890       8.252983  119.8950 3.448048  119.8950 3.448048  0.000000       0.000000  
1 1 1 1  0  18 o 146.9901 3.082651  216.4740       9.053504  216.4740       9.053504  216.4740       9.053504  146.9901 3.082651  146.9901 3.082651  0.000000       0.000000  
1 1 1 1  0  19 o 357.4811 5.326402  1281.766       38.06284  1281.766       38.06284  1281.766       38.06284  357.4811 5.326402  357.4811 5.326402  -0.000000      0.000000  
1 1 1 1  0  20 o 50.57511 13.16507  30.61990       11.48365  30.61990       11.48365  30.61990       11.48365  50.57511 13.16507  50.57511 13.16507  0.000000       0.000000  
1 1 1 1  0  21 o 42.29395 16.94042  25.65477       13.84710  25.65477       13.84710  25.65477       13.84710  42.29395 16.94042  42.29395 16.94042  -0.000000      0.000000  
1 1 1 1  0  22 o 41.10085 20.79960  27.48453       21.04225  27.48453       21.04225  27.48453       21.04225  41.10085 20.79960  41.10085 20.79960  -0.000000      0.000000  
1 1 1 1  0  23 o 132.8909 6.698281  180.0122       17.70675  180.0122       17.70675  180.0122       17.70675  132.8909 6.698281  132.8909 6.698281  -0.000000      0.000000  
1 1 1 1  0  24 o 38.66840 23.02935  25.60712       30.61990  25.60712       30.61990  25.60712       30.61990  38.66840 23.02935  38.66840 23.02935  -0.000000      0.000000  
1 1 1 1  1  1  o 161.1243 2.814353  259.8642       9.063033  259.8642       9.063033  259.8642       9.063033  161.1243 2.814353  161.1243 2.814353  0.000000       0.000000  
1 1 1 1  1  2  o 648.6096 6.664107  4209.746       86.42761  4209.746       86.42761  4209.746       86.42761  648.6096 6.664107  648.6096 6.664107  0.000000       0.000000  
1 1 1 1  1  3  o 138.1649 1.555841  190.9718       4.298031  190.9718       4.298031  190.9718       4.298031  138.1649 1.555841  138.1649 1.555841  0.000000       0.000000  
1 1 1 1  1  4  o 238.1815 2.555396  567.5308       12.16981  567.5308       12.16981  567.5308       12.16981  238.1815 2.555396  238.1815 2.555396  0.000000       0.000000  
1 1 1 1  1  5  o 263.8817 2.853810  696.6432       15.05741  696.6432       15.05741  696.6432       15.05741  263.8817 2.853810  263.8817 2.853810  -0.000000      0.000000  
1 1 1 1  1  6  f 258.8028 2.821426  670.1022       14.59997  670.1022       14.59997  670.1022       14.59997  258.8028 2.821426  258.8028 2.821426  0.000000       0.000000  
1 1 1 1  1  7  o 455.1467 4.799212  2072.785       43.67601  2072.785       43.67601  2072.785       43.67601  455.1467 4.799212  455.1467 4.799212  0.000000       0.000000  
1 1 1 1  1  8  o 31.09510 2.849170  9.911204       1.743991  9.911204       1.743991  9.911204       1.743991  31.09510 2.849170  31.09510 2.849170  -0.000000      0.000000  
1 1 1 1  1  9  o 604.6333 6.332216  3657.940       76.55452  3657.940       76.55452  3657.940       76.55452  604.6333 6.332216  604.6333 6.332216  0.000000       0.000000  
1 1 1 1  1  10 o 84.49590 2.117698  71.53220       3.573751  71.53220       3.573751  71.53220       3.573751  84.49590 2.117698  84.49590 2.117698  0.000000       0.000000  
1 1 1 1  1  11 o 83.44962 2.282078  69.79774       3.802472  69.79774       3.802472  69.79774       3.802472  83.44962 2.282078  83.44962 2.282078  0.000000       0.000000  
1 1 1 1  1  12 o 420.0197 4.541345  1765.281       38.13908  1765.281       38.13908  1765.281       38.13908  420.0197 4.541345  420.0197 4.541345  0.000000       0.000000  
1 1 1 1  1  13 o 417.7163 4.606370  1746.287       38.47263  1746.287       38.47263  1746.287       38.47263  417.7163 4.606370  417.7163 4.606370  -0.000000      0.000000  
1 1 1 1  1  14 o 186.8302 2.610246  349.3223       9.749194  349.3223       9.749194  349.3223       9.749194  186.8302 2.610246  186.8302 2.610246  0.000000       0.000000  
1 1 1 1  1  15 o 142.2965 2.640762  202.7413       7.509643  202.7413       7.509643  202.7413       7.509643  142.2965 2.640762  142.2965 2.640762  0.000000       0.000000  
1 1 1 1  1  16 o 223.4528 3.219351  499.8296       14.38078  499.8296       14.38078  499.8296       14.38078  223.4528 3.219351  223.4528 3.219351  0.000000       0.000000  
1 1 1 1  1  17 o 61.51121 5.288297  38.72041       6.413693  38.72041       6.413693  38.72041       6.413693  61.51121 5.288297  61.51121 5.288297  -0.000000      0.000000  
1 1 1 1  1  18 o 102.2702 4.246418  105.2494       8.653244  105.2494       8.653244  105.2494       8.653244  102.2702 4.246418  102.2702 4.246418  -0.000000      0.000000  
1 1 1 1  1  19 o 61.77758 7.996741  40.24520       9.615773  40.24520       9.615773  40.24520       9.615773  61.77758 7.996741  61.77758 7.996741  -0.000000      0.000000  
1 1 1 1  1  20 o 141.5694 6.495101  202.6936       18.30714  202.6936       18.30714  202.6936       18.30714  141.5694 6.495101  141.5694 6.495101  0.000000       0.000000  
1 1 1 1  1  21 o 51.66385 20.20926  38.38685       19.87959  38.38685       19.87959  38.38685       19.87959  51.66385 20.20926  51.66385 20.20926  -0.000000      0.000000  
1 1 1 1  1  22 o 29.37889 17.16200  12.10310       16.47738  12.10310       16.47738  12.10310       16.47738  29.37889 17.16200  29.37889 17.16200  -0.000000      0.000000  
1 1 1 1  1  23 o 46.89108 24.40727  37.95800       29.45724  37.95800       29.45724  37.95800       29.45724  46.89108 24.40727  46.89108 24.40727  0.000000       0.000000  
1 1 1 1  1  25 o 43.00302 20.62894  32.65932       20.29891  32.65932       20.29891  32.65932       20.29891  43.00302 20.62894  43.00302 20.62894  -0.000000      0.000000  
1 1 1 2  0  1  o 251.6043 3.055787  633.3736       15.37190  633.3736       15.37190  633.3736       15.37190  251.6043 3.055787  251.6043 3.055787  0.000000       0.000000  
1 1 1 2  0  2  o 225.7034 2.405245  509.6169       10.85467  509.6169       10.85467  509.6169       10.85467  225.7034 2.405245  225.7034 2.405245  -0.000000      0.000000  
1 1 1 2  0  3  o 107.5874 1.253777  115.7991       2.696991  115.7991       2.696991  115.7991       2.696991  107.5874 1.253777  107.5874 1.253777  -0.000000      0.000000  
1 1 1 2  0  4  o 173.3941 1.932436  300.7765       6.699593  300.7765       6.699593  300.7765       6.699593  173.3941 1.932436  173.3941 1.932436  0.000000       0.000000  
1 1 1 2  0  5  o 279.7802 3.030654  783.1281       16.95388  783.1281       16.95388  783.1281       16.95388  279.7802 3.030654  279.7802 3.030654  -0.000000      0.000000  
1 1 1 2  0  6  o 148.5813 1.767618  220.8674       5.251032  220.8674       5.251032  220.8674       5.251032  148.5813 1.767618  148.5813 1.767618  -0.000000      0.000000  
1 1 1 2  0  7  f 86.01244 1.363582  74.03860       2.344381  74.03860       2.344381  74.03860       2.344381  86.01244 1.363582  86.01244 1.363582  0.000000       0.000000  
1 1 1 2  0  8  o 395.7309 4.215428  1566.761       33.35501  1566.761       33.35501  1566.761       33.35501  395.7309 4.215428  395.7309 4.215428  0.000000       0.000000  
1 1 1 2  0  9  o 683.2522 7.115213  4671.351       97.20604  4671.351       97.20604  4671.351       97.20604  683.2522 7.115213  683.2522 7.115213  0.000000       0.000000  
1 1 1 2  0  10 o 1113.185 11.47879  12407.02       255.4994  12407.02       255.4994  12407.02       255.4994  1113.185 11.47879  1113.185 11.47879  0.000000       0.000000  
1 1 1 2  0  11 o 260.9207 3.030626  681.1284       15.81028  681.1284       15.81028  681.1284       15.81028  260.9207 3.030626  260.9207 3.030626  -0.000000      0.000000  
1 1 1 2  0  12 o 100.1967 2.170844  100.5415       4.345681  100.5415       4.345681  100.5415       4.345681  100.1967 2.170844  100.1967 2.170844  -0.000000      0.000000  
1 1 1 2  0  13 o 35.50501 5.943996  13.47543       3.907302  13.47543       3.907302  13.47543       3.907302  35.50501 5.943996  35.50501 5.943996  0.000000       0.000000  
1 1 1 2  0  14 o 61.93870 3.783441  38.80618       4.650642  38.80618       4.650642  38.80618       4.650642  61.93870 3.783441  61.93870 3.783441  -0.000000      0.000000  
1 1 1 2  0  15 o 121.2381 2.726755  147.2481       6.604293  147.2481       6.604293  147.2481       6.604293  121.2381 2.726755  121.2381 2.726755  0.000000       0.000000  
1 1 1 2  0  16 o 68.94402 4.723970  48.24088       6.451812  48.24088       6.451812  48.24088       6.451812  68.94402 4.723970  68.94402 4.723970  0.000000       0.000000  
1 1 1 2  0  17 o 277.6299 3.626242  771.6826       20.12737  771.6826       20.12737  771.6826       20.12737  277.6299 3.626242  277.6299 3.626242  0.000000       0.000000  
1 1 1 2  0  18 o 51.77770 6.586510  28.16116       6.642413  28.16116       6.642413  28.16116       6.642413  51.77770 6.586510  51.77770 6.586510  0.000000       0.000000  
1 1 1 2  0  19 o 161.7627 3.825290  262.4277       12.36041  262.4277       12.36041  262.4277       12.36041  161.7627 3.825290  161.7627 3.825290  0.000000       0.000000  
1 1 1 2  0  20 o 74.12299 8.926335  57.80900       12.91316  57.80900       12.91316  57.80900       12.91316  74.12299 8.926335  74.12299 8.926335  0.000000       0.000000  
1 1 1 2  0  21 o 31.50791 16.32170  15.33377       13.13235  15.33377       13.13235  15.33377       13.13235  31.50791 16.32170  31.50791 16.32170  -0.000000      0.000000  
1 1 1 2  0  22 o 124.0363 8.576777  158.6174       21.07084  158.6174       21.07084  158.6174       21.07084  124.0363 8.576777  124.0363 8.576777  -0.000000      0.000000  
1 1 1 2  0  23 o 127.6518 7.500878  167.0228       19.01236  167.0228       19.01236  167.0228       19.01236  127.6518 7.500878  127.6518 7.500878  0.000000       0.000000  
1 1 1 2  0  24 o 22.13883 15.37850  -11.46459      22.37645  -11.46459      22.37645  -11.46459      22.37645  22.13883 15.37850  22.13883 15.37850  0.000000       0.000000  
1 1 1 2  0  25 o 23.84963 15.71213  2.182371       18.38338  2.182371       18.38338  2.182371       18.38338  23.84963 15.71213  23.84963 15.71213  0.000000       0.000000  
1 1 1 2  1  1  o 194.7521 1.414907  381.1143       3.869182  328.7565       7.738363  433.4723       7.738363  181.3100 2.134015  208.1943 1.858447  -26.88435      2.829813  
1 1 1 2  1  2  o 272.4621 1.439630  742.4683       5.546463  728.6927       11.09293  756.2439       11.09293  269.9341 2.054747  274.9901 2.016968  -5.055969      2.879261  
1 1 1 2  1  3  o 127.9494 0.7346551 164.0971       1.324671  179.9551       2.649341  148.2392       2.649341  134.1463 0.9874819 121.7524 1.088004  12.39392       1.469310  
1 1 1 2  1  4  o 230.8275 1.253925  532.8558       4.093137  538.4167       8.186274  527.2951       8.186274  232.0320 1.764039  229.6230 1.782547  2.409058       2.507849  
1 1 1 2  1  5  o 426.4178 2.244433  1818.958       13.53261  1858.151       27.06521  1779.766       27.06521  431.0133 3.139719  421.8224 3.208129  9.190979       4.488867  
1 1 1 2  1  6  o 467.5227 2.473296  2188.584       16.32966  2323.062       32.65932  2054.106       32.65932  481.9047 3.388567  453.1407 3.603662  28.76392       4.946592  
1 1 1 2  1  7  o 248.2438 1.358835  616.3578       4.769767  628.4942       9.539534  604.2213       9.539534  250.6883 1.902668  245.7994 1.940512  4.888901       2.717671  
1 1 1 2  1  8  o 160.7741 0.9855092 259.3162       2.230021  288.5399       4.460042  230.0924       4.460042  169.8626 1.312838  151.6857 1.470159  18.17691       1.971018  
1 1 1 2  1  9  o 49.06915 1.160034  24.16809       0.8005202 27.10333       1.601040  21.23285       1.601040  52.06007 1.537686  46.07824 1.737307  5.981838       2.320067  
1 1 1 2  1  10 o 490.1674 2.605588  2404.592       18.04506  2284.523       36.09013  2524.660       36.09013  477.9196 3.775753  502.4151 3.591664  -24.49542      5.211176  
1 1 1 2  1  11 o 710.1635 3.709796  5046.356       37.25279  4945.901       74.50557  5146.812       74.50557  703.0908 5.298431  717.2362 5.193935  -14.14539      7.419591  
1 1 1 2  1  12 o 300.2807 1.714691  902.6772       7.271393  847.4651       14.54279  957.8892       14.54279  291.0873 2.498011  309.4741 2.349597  -18.38681      3.429383  
1 1 1 2  1  13 o 326.8108 1.847574  1068.385       8.538883  1077.596       17.07777  1059.174       17.07777  328.2200 2.601573  325.4016 2.624106  2.818390       3.695148  
1 1 1 2  1  14 o 177.5007 1.341314  317.3968       3.330736  263.8763       6.661473  370.9173       6.661473  162.4246 2.050636  192.5769 1.729562  -30.15228      2.682628  
1 1 1 2  1  15 f 202.7744 1.444802  413.0351       4.116962  466.5414       8.233924  359.5289       8.233924  215.9680 1.906283  189.5809 2.171612  26.38705       2.889605  
1 1 1 2  1  16 o 61.63381 2.447093  38.74423       2.072776  28.26599       4.145552  49.22247       4.145552  53.13342 3.901078  70.13421 2.955442  -17.00079      4.894185  
1 1 1 2  1  17 o 172.7437 1.612560  298.7370       3.935891  313.3370       7.871783  284.1371       7.871783  176.9696 2.224049  168.5178 2.335594  8.451813       3.225119  
1 1 1 2  1  18 o 86.84530 2.414543  75.96366       2.940006  64.52765       5.880013  87.39966       5.880013  80.26117 3.663049  93.42943 3.146767  -13.16826      4.829086  
1 1 1 2  1  19 o 87.81837 3.325937  77.92683       4.088372  65.16616       8.176744  90.68752       8.176744  80.55300 5.075381  95.08376 4.299758  -14.53075      6.651873  
1 1 1 2  1  20 o 216.5653 2.296751  470.6869       7.023612  500.4777       14.04722  440.8961       14.04722  223.4433 3.143353  209.6873 3.349566  13.75604       4.593502  
1 1 1 2  1  21 o 95.66460 3.780043  93.22726       5.046137  110.4909       10.09227  75.96366       10.09227  104.6876 4.820187  86.64162 5.824149  18.04597       7.560087  
1 1 1 2  1  22 o 54.77792 7.333198  32.10182       5.551227  28.46612       11.10245  35.73751       11.10245  50.98565 11.19252  58.57020 9.477903  -7.584557      14.66640  
1 1 1 2  1  23 o 101.9288 5.846548  107.7843       8.410229  115.5227       16.82046  100.0460       16.82046  105.7248 7.954832  98.13286 8.570248  7.591919       11.69310  
1 1 1 2  1  24 o 77.92857 9.898373  74.01478       10.26858  109.5760       20.53716  38.45356       20.53716  100.7238 10.19479  55.13338 16.96989  45.59037       19.79675  
1 1 1 2  1  25 o 38.03879 15.91050  12.96080       20.27985  12.96080       20.27985  ?              ?         38.03879 15.91050  ?        ?         ?              ?         
1 1 1 2  2  1  o 777.2405 11.25813  6050.838       174.9232  6050.838       174.9232  6050.838       174.9232  777.2405 11.25813  777.2405 11.25813  0.000000       0.000000  
1 1 1 2  2  2  o 636.3049 6.551046  4051.490       83.34940  4051.490       83.34940  4051.490       83.34940  636.3049 6.551046  636.3049 6.551046  -0.000000      0.000000  
1 1 1 2  2  3  o 1230.439 14.55006  15171.29       357.9469  15171.29       357.9469  15171.29       357.9469  1230.439 14.55006  1230.439 14.55006  0.000000       0.000000  
1 1 1 2  2  4  o 142.5044 1.642274  203.1606       4.679232  203.1606       4.679232  203.1606       4.679232  142.5044 1.642274  142.5044 1.642274  -0.000000      0.000000  
1 1 1 2  2  5  o 131.9615 1.574857  174.2180       4.155082  174.2180       4.155082  174.2180       4.155082  131.9615 1.574857  131.9615 1.574857  -0.000000      0.000000  
1 1 1 2  2  6  o 377.5468 4.032166  1426.222       30.43883  1426.222       30.43883  1426.222       30.43883  377.5468 4.032166  377.5468 4.032166  0.000000       0.000000  
1 1 1 2  2  7  o 774.2153 8.017709  6000.024       124.1188  6000.024       124.1188  6000.024       124.1188  774.2153 8.017709  774.2153 8.017709  -0.000000      0.000000  
1 1 1 2  2  8  o 85.21210 1.561319  72.68534       2.658871  72.68534       2.658871  72.68534       2.658871  85.21210 1.561319  85.21210 1.561319  0.000000       0.000000  
1 1 1 2  2  9  o 498.7011 5.269852  2488.303       52.54844  2488.303       52.54844  2488.303       52.54844  498.7011 5.269852  498.7011 5.269852  -0.000000      0.000000  
1 1 1 2  2  10 o 157.3524 2.132756  247.7420       6.709123  247.7420       6.709123  247.7420       6.709123  157.3524 2.132756  157.3524 2.132756  -0.000000      0.000000  
1 1 1 2  2  11 o 639.8348 6.730996  4096.968       86.11311  4096.968       86.11311  4096.968       86.11311  639.8348 6.730996  639.8348 6.730996  0.000000       0.000000  
1 1 1 2  2  12 o 371.9616 4.141495  1384.405       30.80097  1384.405       30.80097  1384.405       30.80097  371.9616 4.141495  371.9616 4.141495  -0.000000      0.000000  
1 1 1 2  2  13 o 238.8340 2.967756  570.7900       14.17112  570.7900       14.17112  570.7900       14.17112  238.8340 2.967756  238.8340 2.967756  -0.000000      0.000000  
1 1 1 2  2  14 o 259.9635 3.245456  676.3159       16.86811  676.3159       16.86811  676.3159       16.86811  259.9635 3.245456  259.9635 3.245456  0.000000       0.000000  
1 1 1 2  2  15 o 341.6745 3.982805  1168.550       27.20816  1168.550       27.20816  1168.550       27.20816  341.6745 3.982805  341.6745 3.982805  0.000000       0.000000  
1 1 1 2  2  16 o 351.5486 4.094651  1237.195       28.78061  1237.195       28.78061  1237.195       28.78061  351.5486 4.094651  351.5486 4.094651  -0.000000      0.000000  
1 1 1 2  2  17 o 79.52017 4.451482  63.88915       7.033143  63.88915       7.033143  63.88915       7.033143  79.52017 4.451482  79.52017 4.451482  0.000000       0.000000  
1 1 1 2  2  18 o 11.44016 8.142117  -8.500763      7.376224  -8.500763      7.376224  -8.500763      7.376224  11.44016 8.142117  11.44016 8.142117  -0.000000      0.000000  
1 1 1 2  2  19 o 236.9657 4.999885  563.4519       23.67253  563.4519       23.67253  563.4519       23.67253  236.9657 4.999885  236.9657 4.999885  -0.000000      0.000000  
1 1 1 2  2  20 o 45.33719 16.27901  27.76090       13.46590  27.76090       13.46590  27.76090       13.46590  45.33719 16.27901  45.33719 16.27901  -0.000000      0.000000  
1 1 1 2  2  21 o 163.2332 12.26659  277.8377       39.59716  277.8377       39.59716  277.8377       39.59716  163.2332 12.26659  163.2332 12.26659  0.000000       0.000000  
1 1 1 2  2  22 o 19.93265 13.85467  -11.97921      18.41197  -11.97921      18.41197  -11.97921      18.41197  19.93265 13.85467  19.93265 13.85467  -0.000000      0.000000  
1 1 1 2  2  23 o 89.91320 13.84833  88.60045       23.59629  88.60045       23.59629  88.60045       23.59629  89.91320 13.84833  89.91320 13.84833  -0.000000      0.000000  
1 1 1 2  2  24 o 30.93490 20.24782  6.623353       29.92421  6.623353       29.92421  6.623353       29.92421  30.93490 20.24782  30.93490 20.24782  -0.000000      0.000000  
1 1 1 3  0  1  o 83.13652 1.037771  69.14970       1.724931  69.14970       1.724931  69.14970       1.724931  83.13652 1.037771  83.13652 1.037771  -0.000000      0.000000  
1 1 1 3  0  2  o 100.1111 1.180778  100.2652       2.363441  100.2652       2.363441  100.2652       2.363441  100.1111 1.180778  100.1111 1.180778  -0.000000      0.000000  
1 1 1 3  0  3  o 393.5835 4.126985  1549.798       32.47825  1549.798       32.47825  1549.798       32.47825  393.5835 4.126985  393.5835 4.126985  0.000000       0.000000  
1 1 1 3  0  4  o 115.3702 1.388193  133.1628       3.202081  133.1628       3.202081  133.1628       3.202081  115.3702 1.388193  115.3702 1.388193  -0.000000      0.000000  
1 1 1 3  0  5  o 177.3890 2.007159  314.8047       7.118913  314.8047       7.118913  314.8047       7.118913  177.3890 2.007159  177.3890 2.007159  0.000000       0.000000  
1 1 1 3  0  6  o 407.5529 4.332888  1661.985       35.30866  1661.985       35.30866  1661.985       35.30866  407.5529 4.332888  407.5529 4.332888  -0.000000      0.000000  
1 1 1 3  0  7  o 179.0644 2.113538  320.7895       7.566823  320.7895       7.566823  320.7895       7.566823  179.0644 2.113538  179.0644 2.113538  -0.000000      0.000000  
1 1 1 3  0  8  o 389.9951 4.174779  1521.665       32.55449  1521.665       32.55449  1521.665       32.55449  389.9951 4.174779  389.9951 4.174779  0.000000       0.000000  
1 1 1 3  0  9  o 271.9146 3.009679  739.6902       16.36302  739.6902       16.36302  739.6902       16.36302  271.9146 3.009679  271.9146 3.009679  0.000000       0.000000  
1 1 1 3  0  10 o 54.74980 2.615010  30.18152       2.849471  30.18152       2.849471  30.18152       2.849471  54.74980 2.615010  54.74980 2.615010  -0.000000      0.000000  
1 1 1 3  0  11 o 823.2548 8.570646  6784.342       141.0822  6784.342       141.0822  6784.342       141.0822  823.2548 8.570646  823.2548 8.570646  -0.000000      0.000000  
1 1 1 3  0  12 o 672.3713 7.107779  4525.599       95.55734  4525.599       95.55734  4525.599       95.55734  672.3713 7.107779  672.3713 7.107779  0.000000       0.000000  
1 1 1 3  0  13 o 196.1181 2.532652  384.8692       9.930264  384.8692       9.930264  384.8692       9.930264  196.1181 2.532652  196.1181 2.532652  0.000000       0.000000  
1 1 1 3  0  14 o 301.3057 3.594203  908.5524       21.65217  908.5524       21.65217  908.5524       21.65217  301.3057 3.594203  301.3057 3.594203  -0.000000      0.000000  
1 1 1 3  0  15 o 24.67984 9.691310  8.395933       4.564872  8.395933       4.564872  8.395933       4.564872  24.67984 9.691310  24.67984 9.691310  0.000000       0.000000  
1 1 1 3  0  16 o 427.1432 4.885318  1826.968       41.72235  1826.968       41.72235  1826.968       41.72235  427.1432 4.885318  427.1432 4.885318  -0.000000      0.000000  
1 1 1 3  0  17 o 190.1104 3.072183  361.8733       11.67426  361.8733       11.67426  361.8733       11.67426  190.1104 3.072183  190.1104 3.072183  0.000000       0.000000  
1 1 1 3  0  18 o 85.01899 4.915932  73.11419       8.300633  73.11419       8.300633  73.11419       8.300633  85.01899 4.915932  85.01899 4.915932  0.000000       0.000000  
1 1 1 3  0  19 o 45.41482 10.24048  23.64394       8.100503  23.64394       8.100503  23.64394       8.100503  45.41482 10.24048  45.41482 10.24048  0.000000       0.000000  
1 1 1 3  0  20 o 179.6353 4.539718  324.1345       16.28678  324.1345       16.28678  324.1345       16.28678  179.6353 4.539718  179.6353 4.539718  -0.000000      0.000000  
1 1 1 3  0  21 o 119.6947 6.481212  145.5708       15.41955  145.5708       15.41955  145.5708       15.41955  119.6947 6.481212  119.6947 6.481212  -0.000000      0.000000  
1 1 1 3  0  22 o 40.73952 19.52184  26.41717       18.17372  26.41717       18.17372  26.41717       18.17372  40.73952 19.52184  40.73952 19.52184  -0.000000      0.000000  
1 1 1 3  1  0  o 493.0813 7.220336  2433.849       71.17007  2433.849       71.17007  2433.849       71.17007  493.0813 7.220336  493.0813 7.220336  0.000000       0.000000  
1 1 1 3  1  1  o 571.6598 3.226417  3269.444       26.07885  3194.915       52.15771  3343.973       52.15771  565.1412 4.614573  578.1785 4.510520  -13.03729      6.452835  
1 1 1 3  1  2  o 343.4559 1.804937  1181.392       8.748544  1093.110       17.49709  1269.673       17.49709  330.6040 2.646230  356.3079 2.455333  -25.70383      3.609875  
1 1 1 3  1  3  o 271.9144 1.450720  739.7427       5.575052  770.4913       11.15010  708.9941       11.15010  277.5685 2.008532  266.2603 2.093836  11.30817       2.901439  
1 1 1 3  1  4  o 359.8790 1.912608  1297.339       9.711073  1400.329       19.42215  1194.348       19.42215  374.1881 2.595239  345.5700 2.810161  28.61813       3.825215  
1 1 1 3  1  5  o 352.7452 1.885046  1246.396       9.382290  1149.433       18.76458  1343.359       18.76458  339.0012 2.767627  366.4893 2.560045  -27.48813      3.770091  
1 1 1 3  1  6  o 213.7927 1.200019  457.2830       3.626166  475.1183       7.252333  439.4476       7.252333  217.9639 1.663655  209.6215 1.729864  8.342392       2.400037  
1 1 1 3  1  7  f 559.7516 2.939907  3140.775       23.20079  3425.045       46.40159  2856.504       46.40159  585.1442 3.964971  534.3590 4.341799  50.78516       5.879814  
1 1 1 3  1  8  o 856.8556 4.427395  7346.004       53.64915  7294.561       107.2983  7397.446       107.2983  853.8538 6.283179  859.8575 6.239308  -6.003723      8.854790  
1 1 1 3  1  9  o 151.0821 0.9950476 228.3246       2.125191  235.7818       4.250381  220.8674       4.250381  153.5500 1.384038  148.6141 1.430006  4.935867       1.990095  
1 1 1 3  1  10 o 720.2793 3.768664  5190.712       38.38209  5301.827       76.76418  5079.597       76.76418  727.9926 5.272319  712.5659 5.386462  15.42670       7.537328  
1 1 1 3  1  11 o 740.3716 3.859948  5486.600       40.39293  5275.772       80.78585  5697.427       80.78585  726.1337 5.562739  754.6096 5.352824  -28.47589      7.719896  
1 1 1 3  1  12 o 295.4200 1.685511  873.5916       7.033143  923.7147       14.06629  823.4686       14.06629  303.9034 2.314269  286.9367 2.451113  16.96671       3.371023  
1 1 1 3  1  13 o 317.9150 1.799621  1010.995       8.090974  1004.777       16.18195  1017.214       16.18195  316.9370 2.552865  318.8929 2.537207  -1.955963      3.599241  
1 1 1 3  1  14 o 114.0396 1.285257  130.0750       2.072776  130.9994       4.145552  129.1506       4.145552  114.4449 1.811156  113.6343 1.824076  0.8106079      2.570513  
1 1 1 3  1  15 o 169.4351 1.367056  287.5631       3.268791  309.1057       6.537583  266.0205       6.537583  175.7923 1.859463  163.0779 2.004436  12.71436       2.734111  
1 1 1 3  1  16 o 160.6915 1.451397  259.8498       3.268791  299.8235       6.537583  219.8762       6.537583  173.1295 1.888062  148.2534 2.204867  24.87602       2.902794  
1 1 1 3  1  17 o 146.6639 1.533877  215.3495       3.178256  226.5282       6.356512  204.1708       6.356512  150.4749 2.112151  142.8529 2.224846  7.621994       3.067755  
1 1 1 3  1  18 o 48.87183 4.172170  24.02037       2.878061  25.73101       5.756122  22.30974       5.756122  50.62196 5.685401  47.12171 6.107718  3.500248       8.344340  
1 1 1 3  1  19 o 187.8973 2.002779  353.7156       5.317742  369.8785       10.63548  337.5527       10.63548  192.1983 2.766800  183.5963 2.896432  8.601990       4.005559  
1 1 1 3  1  20 o 299.9005 3.862915  910.4681       16.26295  784.2907       32.52590  1036.645       32.52590  278.8640 5.831858  320.9370 5.067335  -42.07306      7.725830  
1 1 1 3  1  21 o 149.9404 2.898647  226.4853       6.132557  208.9834       12.26511  243.9872       12.26511  144.1041 4.255645  155.7766 3.936764  -11.67255      5.797294  
1 1 1 3  1  22 o 117.1739 3.744322  139.4668       6.180207  125.3767       12.36041  153.5570       12.36041  111.1614 5.559670  123.1864 5.016958  -12.02496      7.488645  
1 1 1 3  1  23 o 60.25936 8.435898  40.02602       7.028378  31.79209       14.05676  48.25994       14.05676  52.96583 13.28190  67.55289 10.40426  -14.58706      16.87180  
1 1 1 3  1  24 o 33.33730 14.74716  0.6194503      19.42215  0.6194503      19.42215  ?              ?         33.33730 14.74716  ?        ?         ?              ?         
1 1 1 3  1  25 o 98.19220 9.622964  105.7830       18.89800  105.7830       18.89800  ?              ?         98.19220 9.622964  ?        ?         ?              ?         
1 1 1 3  2  0  o 74.68113 1.072413  55.80770       1.601040  55.80770       1.601040  55.80770       1.601040  74.68113 1.072413  74.68113 1.072413  0.000000       0.000000  
1 1 1 3  2  1  o 412.5120 2.177035  1707.605       12.63678  1510.763       25.27357  1904.447       25.27357  388.6530 3.251431  436.3710 2.895881  -47.71796      4.354071  
1 1 1 3  2  2  o 722.9943 3.716875  5230.619       37.99136  5385.500       75.98272  5075.737       75.98272  733.7054 5.178013  712.2831 5.333744  21.42224       7.433751  
1 1 1 3  2  3  o 547.3391 2.854657  3001.855       22.03813  2750.083       44.07627  3253.629       44.07627  524.3394 4.203029  570.3389 3.864042  -45.99951      5.709314  
1 1 1 3  2  4  o 623.6670 3.241951  3892.687       28.57572  3732.283       57.15144  4053.092       57.15144  610.8073 4.678353  636.5268 4.489319  -25.71954      6.483901  
1 1 1 3  2  5  o 435.8319 2.308395  1902.946       14.19494  1753.330       28.38988  2052.563       28.38988  418.6674 3.390505  452.9964 3.133566  -34.32892      4.616791  
1 1 1 3  2  6  o 341.3098 1.841706  1169.979       8.834312  1019.730       17.66863  1320.230       17.66863  319.2990 2.766784  363.3206 2.431548  -44.02161      3.683411  
1 1 1 3  2  7  o 515.2152 2.697202  2655.397       19.65087  2616.253       39.30174  2694.542       39.30174  511.4164 3.842440  519.0140 3.786192  -7.597626      5.394404  
1 1 1 3  2  8  o 462.2653 2.454780  2143.107       15.98182  1918.962       31.96363  2367.253       31.96363  438.0210 3.648641  486.5096 3.284996  -48.48853      4.909560  
1 1 1 3  2  9  o 300.9597 1.658548  908.4668       7.028378  810.7556       14.05676  1006.178       14.05676  284.7265 2.468467  317.1930 2.215805  -32.46652      3.317095  
1 1 1 3  2  10 o 208.3368 1.267942  434.0631       3.735762  435.2067       7.471523  432.9195       7.471523  208.6113 1.790777  208.0623 1.795501  0.5489197      2.535883  
1 1 1 3  2  11 o 482.0601 2.556253  2324.515       17.42561  2291.985       34.85123  2357.046       34.85123  478.6860 3.640301  485.4342 3.589696  -6.748230      5.112505  
1 1 1 3  2  12 o 282.1209 1.613211  796.3414       6.432753  765.4976       12.86551  827.1853       12.86551  276.6545 2.325194  287.5873 2.236800  -10.93286      3.226422  
1 1 1 3  2  13 f 225.7136 1.392771  509.5598       4.445747  506.0337       8.891494  513.0858       8.891494  224.9325 1.976481  226.4947 1.962848  -1.562195      2.785543  
1 1 1 3  2  14 o 259.4525 1.591357  673.8522       5.832363  636.7091       11.66473  710.9955       11.66473  252.2946 2.311728  266.6105 2.187597  -14.31598      3.182713  
1 1 1 3  2  15 o 136.5240 1.421618  186.6642       2.739876  173.7987       5.479752  199.5297       5.479752  131.8122 2.078621  141.2358 1.939930  -9.423630      2.843237  
1 1 1 3  2  16 o 182.6299 1.404635  333.7455       3.626166  321.9807       7.252333  345.5103       7.252333  179.4090 2.021173  185.8508 1.951117  -6.441879      2.809270  
1 1 1 3  2  17 o 278.3490 1.849890  775.7281       7.276158  811.5657       14.55232  739.8904       14.55232  284.7865 2.554951  271.9115 2.675929  12.87506       3.699780  
1 1 1 3  2  18 o 44.52686 4.507213  20.75158       2.649341  14.16159       5.298682  27.34158       5.298682  36.84998 7.450116  52.20373 5.075004  -15.35374      9.014426  
1 1 1 3  2  19 o 128.0827 2.262980  165.0025       4.074077  185.9494       8.148153  144.0555       8.148153  136.2598 2.989933  119.9056 3.397738  16.35423       4.525961  
1 1 1 3  2  20 o 133.2658 3.217722  178.5970       6.061082  185.3014       12.12216  171.8927       12.12216  135.7812 4.463859  130.7504 4.635613  5.030823       6.435445  
1 1 1 3  2  21 o 32.97652 8.188974  8.486468       5.208147  -0.2573101     10.41630  17.23025       10.41630  25.78361 11.11350  40.16942 12.03026  -14.38581      16.37795  
1 1 1 3  2  22 o 72.29025 9.064444  59.41481       8.710423  84.53114       17.42085  34.29848       17.42085  89.94598 9.684061  54.63452 15.32565  35.31147       18.12889  
1 1 1 3  2  23 o 38.08624 10.02023  13.71844       7.209448  13.99005       14.41890  13.44684       14.41890  38.27936 14.18503  37.89313 14.15644  0.3862343      20.04046  
1 1 1 3  2  24 o 95.17657 6.176694  96.04338       8.310163  92.93660       16.62033  99.15016       16.62033  93.54446 8.883651  96.80869 8.584109  -3.264229      12.35339  
1 1 1 3  3  0  f 218.7642 3.371383  478.9399       14.74292  478.9399       14.74292  478.9399       14.74292  218.7642 3.371383  218.7642 3.371383  -0.000000      0.000000  
1 1 1 3  3  1  o 168.6197 1.817519  284.4325       6.127792  284.4325       6.127792  284.4325       6.127792  168.6197 1.817519  168.6197 1.817519  -0.000000      0.000000  
1 1 1 3  3  2  o 787.7343 8.099110  6210.408       127.5686  6210.408       127.5686  6210.408       127.5686  787.7343 8.099110  787.7343 8.099110  0.000000       0.000000  
1 1 1 3  3  3  o 854.6573 8.790489  7311.181       150.2215  7311.181       150.2215  7311.181       150.2215  854.6573 8.790489  854.6573 8.790489  0.000000       0.000000  
1 1 1 3  3  4  o 291.8302 3.140690  852.0205       18.32620  852.0205       18.32620  852.0205       18.32620  291.8302 3.140690  291.8302 3.140690  0.000000       0.000000  
1 1 1 3  3  5  o 108.5077 1.392586  117.8004       3.021011  117.8004       3.021011  117.8004       3.021011  108.5077 1.392586  108.5077 1.392586  0.000000       0.000000  
1 1 1 3  3  6  o 46.68644 1.575719  21.87136       1.467621  21.87136       1.467621  21.87136       1.467621  46.68644 1.575719  46.68644 1.575719  -0.000000      0.000000  
1 1 1 3  3  7  o 56.47509 1.707786  31.98269       1.925061  31.98269       1.925061  31.98269       1.925061  56.47509 1.707786  56.47509 1.707786  -0.000000      0.000000  
1 1 1 3  3  8  o 50.40273 2.125834  25.54041       2.134721  25.54041       2.134721  25.54041       2.134721  50.40273 2.125834  50.40273 2.125834  -0.000000      0.000000  
1 1 1 3  3  9  o 518.9568 5.447122  2694.571       56.52245  2694.571       56.52245  2694.571       56.52245  518.9568 5.447122  518.9568 5.447122  -0.000000      0.000000  
1 1 1 3  3  10 o 504.3339 5.343307  2544.921       53.88265  2544.921       53.88265  2544.921       53.88265  504.3339 5.343307  504.3339 5.343307  0.000000       0.000000  
1 1 1 3  3  11 f 89.17716 2.172240  79.67083       3.869182  79.67083       3.869182  79.67083       3.869182  89.17716 2.172240  89.17716 2.172240  -0.000000      0.000000  
1 1 1 3  3  12 o 209.1683 2.791750  437.7988       11.67426  437.7988       11.67426  437.7988       11.67426  209.1683 2.791750  209.1683 2.791750  0.000000       0.000000  
1 1 1 3  3  13 o 32.88543 5.680967  11.63613       3.430801  11.63613       3.430801  11.63613       3.430801  32.88543 5.680967  32.88543 5.680967  0.000000       0.000000  
1 1 1 3  3  14 o 125.6263 2.456163  158.0265       6.165912  158.0265       6.165912  158.0265       6.165912  125.6263 2.456163  125.6263 2.456163  -0.000000      0.000000  
1 1 1 3  3  15 o 399.8792 4.517497  1600.831       36.11871  1600.831       36.11871  1600.831       36.11871  399.8792 4.517497  399.8792 4.517497  -0.000000      0.000000  
1 1 1 3  3  16 o 248.8406 3.275718  619.8029       16.29631  619.8029       16.29631  619.8029       16.29631  248.8406 3.275718  248.8406 3.275718  -0.000000      0.000000  
1 1 1 3  3  17 o 508.1331 5.748162  2587.262       58.39986  2587.262       58.39986  2587.262       58.39986  508.1331 5.748162  508.1331 5.748162  0.000000       0.000000  
1 1 1 3  3  18 o 113.8445 3.611740  130.1036       8.205333  130.1036       8.205333  130.1036       8.205333  113.8445 3.611740  113.8445 3.611740  -0.000000      0.000000  
1 1 1 3  3  19 o 84.90396 8.612106  74.73429       14.35219  74.73429       14.35219  74.73429       14.35219  84.90396 8.612106  84.90396 8.612106  -0.000000      0.000000  
1 1 1 3  3  20 o 84.11745 11.17507  75.53481       18.27855  75.53481       18.27855  75.53481       18.27855  84.11745 11.17507  84.11745 11.17507  0.000000       0.000000  
1 1 1 3  3  21 o 90.94318 6.258386  84.43583       11.27399  84.43583       11.27399  84.43583       11.27399  90.94318 6.258386  90.94318 6.258386  -0.000000      0.000000  
1 1 1 3  3  22 o 26.70300 17.05763  4.812652       19.65087  4.812652       19.65087  4.812652       19.65087  26.70300 17.05763  26.70300 17.05763  0.000000       0.000000  
1 1 1 3  3  23 o 101.8970 10.13857  109.6427       20.28938  109.6427       20.28938  109.6427       20.28938  101.8970 10.13857  101.8970 10.13857  0.000000       0.000000  
1 1 1 4  0  1  o 429.7153 5.174581  1847.744       44.45747  1847.744       44.45747  1847.744       44.45747  429.7153 5.174581  429.7153 5.174581  0.000000       0.000000  
1 1 1 4  0  2  o 918.9716 10.08784  8454.876       185.3586  8454.876       185.3586  8454.876       185.3586  918.9716 10.08784  918.9716 10.08784  -0.000000      0.000000  
1 1 1 4  0  3  o 587.4407 6.088309  3452.987       71.51315  3452.987       71.51315  3452.987       71.51315  587.4407 6.088309  587.4407 6.088309  0.000000       0.000000  
1 1 1 4  0  4  o 71.85130 1.088166  51.66215       1.562921  51.66215       1.562921  51.66215       1.562921  71.85130 1.088166  71.85130 1.088166  0.000000       0.000000  
1 1 1 4  0  5  o 213.2515 2.364702  454.9624       10.08274  454.9624       10.08274  454.9624       10.08274  213.2515 2.364702  213.2515 2.364702  0.000000       0.000000  
1 1 1 4  0  6  o 484.2113 5.103702  2346.201       49.41307  2346.201       49.41307  2346.201       49.41307  484.2113 5.103702  484.2113 5.103702  -0.000000      0.000000  
1 1 1 4  0  7  o 444.0266 4.690772  1972.692       41.64612  1972.692       41.64612  1972.692       41.64612  444.0266 4.690772  444.0266 4.690772  -0.000000      0.000000  
1 1 1 4  0  8  o 296.4676 3.199281  879.2952       18.96471  879.2952       18.96471  879.2952       18.96471  296.4676 3.199281  296.4676 3.199281  -0.000000      0.000000  
1 1 1 4  0  9  o 428.3939 4.620565  1836.108       39.57811  1836.108       39.57811  1836.108       39.57811  428.3939 4.620565  428.3939 4.620565  0.000000       0.000000  
1 1 1 4  0  10 o 98.72408 2.000036  97.58724       3.945422  97.58724       3.945422  97.58724       3.945422  98.72408 2.000036  98.72408 2.000036  -0.000000      0.000000  
1 1 1 4  0  11 o 164.1669 2.541081  269.7182       8.338754  269.7182       8.338754  269.7182       8.338754  164.1669 2.541081  164.1669 2.541081  -0.000000      0.000000  
1 1 1 4  0  12 o 51.43698 3.402389  26.80790       3.468921  26.80790       3.468921  26.80790       3.468921  51.43698 3.402389  51.43698 3.402389  -0.000000      0.000000  
1 1 1 4  0  13 o 220.1140 2.832594  484.8294       12.46525  484.8294       12.46525  484.8294       12.46525  220.1140 2.832594  220.1140 2.832594  0.000000       0.000000  
1 1 1 4  0  14 o 445.8802 4.961090  1990.160       44.22874  1990.160       44.22874  1990.160       44.22874  445.8802 4.961090  445.8802 4.961090  -0.000000      0.000000  
1 1 1 4  0  15 o 40.37955 6.598181  17.35414       4.965132  17.35414       4.965132  17.35414       4.965132  40.37955 6.598181  40.37955 6.598181  -0.000000      0.000000  
1 1 1 4  0  16 o 58.66953 4.729993  35.11806       5.479752  35.11806       5.479752  35.11806       5.479752  58.66953 4.729993  58.66953 4.729993  -0.000000      0.000000  
1 1 1 4  0  17 o 97.53983 3.842940  95.65265       7.471523  95.65265       7.471523  95.65265       7.471523  97.53983 3.842940  97.53983 3.842940  0.000000       0.000000  
1 1 1 4  0  18 o 83.13417 4.831461  69.91211       7.976613  69.91211       7.976613  69.91211       7.976613  83.13417 4.831461  83.13417 4.831461  -0.000000      0.000000  
1 1 1 4  0  19 o 135.7424 5.392780  185.5873       14.59044  185.5873       14.59044  185.5873       14.59044  135.7424 5.392780  135.7424 5.392780  0.000000       0.000000  
1 1 1 4  0  20 o 219.1626 6.085042  483.7239       26.62683  483.7239       26.62683  483.7239       26.62683  219.1626 6.085042  219.1626 6.085042  -0.000000      0.000000  
1 1 1 4  0  21 o 30.34714 15.32916  14.18065       11.41694  14.18065       11.41694  14.18065       11.41694  30.34714 15.32916  30.34714 15.32916  0.000000       0.000000  
1 1 1 4  0  22 o 88.26482 10.96054  83.60672       18.85988  83.60672       18.85988  83.60672       18.85988  88.26482 10.96054  88.26482 10.96054  0.000000       0.000000  
1 1 1 4  0  23 o 66.68798 16.06628  53.79687       18.56445  53.79687       18.56445  53.79687       18.56445  66.68798 16.06628  66.68798 16.06628  0.000000       0.000000  
1 1 1 4  1  0  o 262.8648 3.213217  691.3446       16.88717  691.3446       16.88717  691.3446       16.88717  262.8648 3.213217  262.8648 3.213217  0.000000       0.000000  
1 1 1 4  1  1  o 369.2998 2.089710  1373.345       10.80226  1599.049       21.60452  1147.641       21.60452  399.8582 2.701523  338.7415 3.188939  61.11667       4.179421  
1 1 1 4  1  2  o 596.5115 3.084537  3561.429       25.99785  3388.126       51.99570  3734.732       51.99570  581.9851 4.467099  611.0378 4.254704  -29.05273      6.169074  
1 1 1 4  1  3  o 313.2042 1.653881  981.2187       7.323808  955.7546       14.64762  1006.683       14.64762  309.1391 2.369098  317.2693 2.308389  -8.130188      3.307761  
1 1 1 4  1  4  o 230.8236 1.251216  532.8940       4.083606  520.8147       8.167212  544.9733       8.167212  228.2071 1.789430  233.4402 1.749316  -5.233124      2.502432  
1 1 1 4  1  5  o 284.4903 1.536898  810.1408       6.175443  857.5668       12.35089  762.7148       12.35089  292.8255 2.108915  276.1550 2.236223  16.67050       3.073795  
1 1 1 4  1  6  o 342.5072 1.827031  1173.420       8.848608  1151.749       17.69722  1195.091       17.69722  339.3436 2.607566  345.6708 2.559837  -6.327209      3.654062  
1 1 1 4  1  7  o 242.2140 1.353034  588.1918       4.617287  529.4012       9.234573  646.9824       9.234573  230.0779 2.006836  254.3501 1.815328  -24.27216      2.706068  
1 1 1 4  1  8  o 395.5746 2.132470  1569.811       11.87438  1395.793       23.74877  1743.829       23.74877  373.5790 3.178547  417.5702 2.843686  -43.99118      4.264940  
1 1 1 4  1  9  o 909.0805 4.699806  8269.637       60.41546  8413.297       120.8309  8125.977       120.8309  916.9819 6.588511  901.1791 6.704047  15.80286       9.399612  
1 1 1 4  1  10 o 640.4567 3.352460  4103.391       30.36259  4158.560       60.72519  4048.222       60.72519  644.7637 4.709104  636.1497 4.772870  8.614014       6.704920  
1 1 1 4  1  11 o 551.3077 2.904395  3041.806       22.62899  3172.128       45.25799  2911.483       45.25799  563.1271 4.018452  539.4883 4.194530  23.63885       5.808789  
1 1 1 4  1  12 f 257.0536 1.506077  662.3925       5.455927  726.1577       10.91185  598.6272       10.91185  269.4567 2.024788  244.6505 2.230091  24.80621       3.012154  
1 1 1 4  1  13 o 122.7300 1.148553  151.2126       1.982241  169.7198       3.964482  132.7053       3.964482  130.2698 1.521643  115.1901 1.720842  15.07966       2.297106  
1 1 1 4  1  14 o 221.1314 1.432924  489.9422       4.469572  530.5353       8.939144  449.3492       8.939144  230.3099 1.940678  211.9529 2.108757  18.35696       2.865848  
1 1 1 4  1  15 o 245.5764 1.616452  604.0403       5.603642  646.1439       11.20728  561.9367       11.20728  254.1487 2.204867  237.0040 2.364367  17.14479       3.232904  
1 1 1 4  1  16 o 405.8257 2.330455  1650.296       13.35154  1537.504       26.70307  1763.089       26.70307  391.9290 3.406621  419.7224 3.181040  -27.79333      4.660910  
1 1 1 4  1  17 f 171.9231 1.605003  295.9590       3.897772  312.4793       7.795544  279.4388       7.795544  176.7277 2.205524  167.1186 2.332339  9.609100       3.210007  
1 1 1 4  1  18 o 219.8905 2.048591  485.2249       6.346982  437.1699       12.69396  533.2799       12.69396  208.9634 3.037365  230.8175 2.749784  -21.85410      4.097182  
1 1 1 4  1  19 o 218.1210 2.172853  476.6812       6.699593  460.2420       13.39919  493.1205       13.39919  214.3526 3.125501  221.8894 3.019339  -7.536774      4.345706  
1 1 1 4  1  20 f 132.3564 2.772971  176.7625       5.150967  201.7502       10.30193  151.7748       10.30193  141.7959 3.632663  122.9168 4.190612  18.87908       5.545941  
1 1 1 4  1  21 o 74.86378 5.985270  59.20991       6.022963  79.77566       12.04593  38.64417       12.04593  88.59923 6.797985  61.12834 9.852980  27.47089       11.97054  
1 1 1 4  1  22 o 52.88632 15.10920  32.03988       16.78234  32.03988       16.78234  ?              ?         52.88632 15.10920  ?        ?         ?              ?         
1 1 1 4  1  23 o 68.26213 7.148155  50.34225       6.561408  38.42498       13.12282  62.25951       13.12282  59.09364 11.51422  77.43063 8.473918  -18.33699      14.29631  
1 1 1 4  1  24 o 102.3209 6.955628  113.0497       10.00174  126.6252       20.00348  99.47419       20.00348  108.9547 9.179725  95.68711 10.45255  13.26756       13.91126  
1 1 1 4  2  0  o 378.4756 3.956743  1433.084       29.94327  1433.084       29.94327  1433.084       29.94327  378.4756 3.956743  378.4756 3.956743  0.000000       0.000000  
1 1 1 4  2  1  o 608.7432 3.288565  3708.792       28.28982  3874.432       56.57963  3543.150       56.57963  622.3484 4.545656  595.1380 4.753489  27.21039       6.577130  
1 1 1 4  2  2  o 951.3674 5.074226  9065.654       68.18717  9582.133       136.3743  8549.176       136.3743  978.5115 6.968460  924.2234 7.377781  54.28802       10.14845  
1 1 1 4  2  3  o 699.2347 3.621358  4894.929       35.77087  5160.325       71.54174  4629.533       71.54174  718.2124 4.980542  680.2571 5.258434  37.95526       7.242715  
1 1 1 4  2  4  o 127.9589 0.7616265 163.8303       1.377086  171.5972       2.754171  156.0633       2.754171  130.9938 1.051260  124.9239 1.102339  6.069893       1.523253  
1 1 1 4  2  5  o 584.4363 3.052054  3418.188       25.21639  3525.720       50.43278  3310.656       50.43278  593.6359 4.247787  575.2367 4.383655  18.39923       6.104108  
1 1 1 4  2  6  o 93.55980 0.7255901 87.96671       0.9530004 100.2366       1.906001  75.69682       1.906001  100.1170 0.9518863 87.00256 1.095371  13.11449       1.451180  
1 1 1 4  2  7  o 275.8525 1.573815  773.9364       5.984842  575.6313       11.96968  972.2415       11.96968  239.9084 2.494636  311.7965 1.919471  -71.88809      3.147630  
1 1 1 4  2  8  o 868.8662 4.484408  7553.104       55.10249  7527.474       110.2050  7578.735       110.2050  867.3912 6.352668  870.3411 6.331137  -2.949890      8.968817  
1 1 1 4  2  9  o 102.9759 0.8933720 107.0934       1.281785  128.2071       2.563571  85.97970       2.563571  113.2277 1.132043  92.72409 1.382365  20.50356       1.786744  
1 1 1 4  2  10 o 284.1703 1.635707  809.7596       6.547113  726.0814       13.09423  893.4379       13.09423  269.4471 2.429832  298.8936 2.190449  -29.44647      3.271415  
1 1 1 4  2  11 o 547.3862 2.896836  2997.405       22.42410  2966.156       44.84820  3028.654       44.84820  544.5319 4.118051  550.2406 4.075326  -5.708740      5.793671  
1 1 1 4  2  12 o 390.5453 2.156165  1525.777       11.90774  1502.148       23.81548  1549.407       23.81548  387.5201 3.072806  393.5705 3.025567  -6.050415      4.312330  
1 1 1 4  2  13 o 92.91493 1.240069  86.67538       1.620101  97.37758       3.240201  75.97320       3.240201  98.67406 1.641871  87.15579 1.858856  11.51827       2.480138  
1 1 1 4  2  14 o 158.8173 1.252030  252.3164       2.811351  245.6835       5.622702  258.9492       5.622702  156.7291 1.793765  160.9055 1.747206  -4.176422      2.504061  
1 1 1 4  2  15 o 172.5351 1.347554  297.7745       3.287851  301.5674       6.575703  293.9816       6.575703  173.6343 1.893550  171.4359 1.917831  2.198349       2.695108  
1 1 1 4  2  16 o 318.8765 1.956689  1019.201       8.800959  1103.860       17.60192  934.5408       17.60192  332.1512 2.649685  305.6017 2.879878  26.54941       3.913378  
1 1 1 4  2  17 o 146.8837 1.478915  216.0023       3.068661  227.7480       6.137322  204.2566       6.137322  150.8820 2.033816  142.8853 2.147639  7.996628       2.957830  
1 1 1 4  2  18 o 151.9960 1.801037  232.0651       3.850122  204.0564       7.700243  260.0738       7.700243  142.7823 2.696497  161.2096 2.388271  -18.42726      3.602074  
1 1 1 4  2  19 o 93.98442 2.721035  88.55756       3.616637  88.45749       7.233273  88.65762       7.233273  93.93119 3.850304  94.03766 3.845945  -0.1064682     5.442071  
1 1 1 4  2  20 o 227.6711 2.461618  520.0667       7.924198  532.1268       15.84840  508.0064       15.84840  230.3197 3.440522  225.0224 3.521515  5.297211       4.923236  
1 1 1 4  2  21 o 58.42912 10.39746  38.11049       8.619888  42.81830       17.23978  33.40266       17.23978  62.16423 14.17561  54.69401 15.21450  7.470222       20.79493  
1 1 1 4  2  22 o 107.5188 3.691335  117.2000       5.608407  122.5082       11.21681  111.8918       11.21681  109.9873 5.099139  105.0503 5.338781  4.936996       7.382669  
1 1 1 4  2  23 f 52.47573 12.98505  30.74856       12.34135  17.94500       24.68271  43.55212       24.68271  45.20668 18.07525  59.74478 18.64757  -14.53811      25.97011  
1 1 1 4  2  24 o 48.72388 18.26813  28.88544       24.05373  28.88544       24.05373  ?              ?         48.72388 18.26813  ?        ?         ?              ?         
1 1 1 4  2  25 o 71.64001 9.177880  61.43040       8.967733  74.34356       17.93547  48.51725       17.93547  81.19830 11.04424  62.08172 14.66147  19.11658       18.35576  
1 1 1 4  3  0  o 697.2651 7.214859  4865.334       100.5892  4865.334       100.5892  4865.334       100.5892  697.2651 7.214859  697.2651 7.214859  0.000000       0.000000  
1 1 1 4  3  1  o 962.4974 5.283525  9285.606       71.76093  8578.052       143.5219  9993.162       143.5219  925.7413 7.751727  999.2537 7.181453  -73.51239      10.56705  
1 1 1 4  3  2  o 358.4158 1.881121  1284.778       9.534769  1294.108       19.06954  1275.448       19.06954  359.7173 2.650629  357.1142 2.669950  2.603058       3.762242  
1 1 1 4  3  3  o 780.0931 4.020070  6088.824       44.34787  6017.673       88.69575  6159.975       88.69575  775.5327 5.718376  784.6536 5.651905  -9.120850      8.040140  
1 1 1 4  3  4  o 139.5225 0.9585444 205.7909       1.734461  112.7399       3.468921  298.8419       3.468921  106.1763 1.633566  172.8687 1.003340  -66.69241      1.917089  
1 1 1 4  3  5  o 243.3621 1.335940  592.6852       4.593462  622.5667       9.186924  562.8039       9.186924  249.5013 1.841057  237.2228 1.936350  12.27855       2.671880  
1 1 1 4  3  6  o 131.6419 0.8283329 174.6040       1.524801  204.6473       3.049601  144.5606       3.049601  143.0529 1.065900  120.2309 1.268227  22.82201       1.656666  
1 1 1 4  3  7  o 350.2561 1.891472  1230.814       9.325109  1093.320       18.65022  1368.308       18.65022  330.6285 2.820419  369.8838 2.521092  -39.25528      3.782944  
1 1 1 4  3  8  o 684.9020 3.563702  4692.374       34.51767  4713.226       69.03535  4671.522       69.03535  686.4242 5.028622  683.3798 5.051024  3.044434       7.127404  
1 1 1 4  3  9  o 455.4354 2.435982  2077.770       15.65303  2241.686       31.30606  1913.854       31.30606  473.4310 3.306297  437.4398 3.578328  35.99112       4.871964  
1 1 1 4  3  10 o 577.5744 3.039322  3341.977       24.76848  3603.380       49.53696  3080.574       49.53696  600.2038 4.126678  554.9450 4.463232  45.25879       6.078644  
1 1 1 4  3  11 o 300.3821 1.730774  902.4057       7.352398  901.2524       14.70480  903.5587       14.70480  300.1901 2.449247  300.5740 2.446119  -0.3838806     3.461548  
1 1 1 4  3  12 o 858.2990 4.487895  7376.966       54.46397  7547.144       108.9279  7206.790       108.9279  868.2126 6.273115  848.3853 6.419721  19.82727       8.975789  
1 1 1 4  3  13 o 414.2956 2.286138  1717.240       13.39442  1725.493       26.78884  1708.987       26.78884  415.2916 3.225305  413.2996 3.240850  1.992065       4.572276  
1 1 1 4  3  14 o 273.2070 1.654284  746.7902       6.389868  726.1195       12.77974  767.4608       12.77974  269.4240 2.371677  276.9899 2.306895  -7.565887      3.308568  
1 1 1 4  3  15 o 79.95322 1.793148  64.50860       2.001301  52.60562       4.002602  76.41157       4.002602  72.50951 2.760053  87.39693 2.289898  -14.88741      3.586297  
1 1 1 4  3  16 o 126.6683 1.474752  160.9713       2.630281  178.2968       5.260562  143.6458       5.260562  133.5073 1.970141  119.8294 2.195022  13.67789       2.949505  
1 1 1 4  3  17 o 234.1016 1.734907  550.3052       5.713237  485.0105       11.42647  615.6002       11.42647  220.1558 2.595089  248.0475 2.303284  -27.89168      3.469813  
1 1 1 4  3  18 o 43.69289 4.575642  19.75570       2.692226  15.00023       5.384452  24.51117       5.384452  37.96991 7.352837  49.41588 5.448099  -11.44597      9.151284  
1 1 1 4  3  19 o 190.7155 2.388678  364.4655       6.442283  368.3823       12.88457  360.5486       12.88457  191.7424 3.359863  189.6886 3.396240  2.053757       4.777356  
1 1 1 4  3  20 o 178.0491 4.117689  320.1938       10.35435  301.1862       20.70870  339.2014       20.70870  172.7114 5.995174  183.3869 5.646178  -10.67548      8.235377  
1 1 1 4  3  21 o 116.4777 3.257936  136.7079       5.365392  133.3629       10.73078  140.0529       10.73078  115.0418 4.663862  117.9136 4.550273  -2.871811      6.515872  
1 1 1 4  3  22 o 36.08587 8.761831  7.976613       6.628118  -9.634833      13.25624  25.58806       13.25624  24.44191 11.33689  47.72983 13.36240  -23.28792      17.52366  
1 1 1 4  3  23 o 53.66975 11.86087  31.91122       11.12628  11.01669       22.25256  52.80575       22.25256  40.74281 16.82946  66.59669 16.71796  -25.85388      23.72174  
1 1 1 4  3  24 o 46.60860 8.993602  20.14166       8.272044  -10.77843      16.54409  51.06176       16.54409  26.79677 12.51976  66.42042 12.91492  -39.62364      17.98720  
1 1 1 4  3  25 o 34.05197 14.89436  5.079492       19.25061  5.079492       19.25061  ?              ?         34.05197 14.89436  ?        ?         ?              ?         
1 1 1 4  4  0  o 1102.337 32.57761  12233.67       716.8469  12233.67       716.8469  12233.67       716.8469  1102.337 32.57761  1102.337 32.57761  0.000000       0.000000  
1 1 1 4  4  1  o 230.8417 2.481795  533.0894       11.45506  533.0894       11.45506  533.0894       11.45506  230.8417 2.481795  230.8417 2.481795  0.000000       0.000000  
1 1 1 4  4  2  o 108.8358 1.313877  118.5056       2.859001  118.5056       2.859001  118.5056       2.859001  108.8358 1.313877  108.8358 1.313877  0.000000       0.000000  
1 1 1 4  4  3  o 215.2592 2.389146  463.5585       10.28287  463.5585       10.28287  463.5585       10.28287  215.2592 2.389146  215.2592 2.389146  0.000000       0.000000  
1 1 1 4  4  4  o 272.2918 2.917938  741.7488       15.88652  741.7488       15.88652  741.7488       15.88652  272.2918 2.917938  272.2918 2.917938  0.000000       0.000000  
1 1 1 4  4  5  o 708.9459 7.358187  5031.470       104.3059  5031.470       104.3059  5031.470       104.3059  708.9459 7.358187  708.9459 7.358187  0.000000       0.000000  
1 1 1 4  4  6  o 200.2582 2.268249  401.2132       9.082094  401.2132       9.082094  401.2132       9.082094  200.2582 2.268249  200.2582 2.268249  0.000000       0.000000  
1 1 1 4  4  7  o 539.3955 5.676352  2911.321       61.22075  2911.321       61.22075  2911.321       61.22075  539.3955 5.676352  539.3955 5.676352  -0.000000      0.000000  
1 1 1 4  4  8  o 630.7446 6.602804  3980.711       83.27317  3980.711       83.27317  3980.711       83.27317  630.7446 6.602804  630.7446 6.602804  0.000000       0.000000  
1 1 1 4  4  9  o 471.0186 5.022039  2219.700       47.29741  2219.700       47.29741  2219.700       47.29741  471.0186 5.022039  471.0186 5.022039  0.000000       0.000000  
1 1 1 4  4  10 o 190.6251 2.347991  363.5601       8.948673  363.5601       8.948673  363.5601       8.948673  190.6251 2.347991  190.6251 2.347991  0.000000       0.000000  
1 1 1 4  4  11 o 891.8435 9.235767  7963.652       164.6975  7963.652       164.6975  7963.652       164.6975  891.8435 9.235767  891.8435 9.235767  0.000000       0.000000  
1 1 1 4  4  12 o 100.2779 2.293032  100.7226       4.593462  100.7226       4.593462  100.7226       4.593462  100.2779 2.293032  100.2779 2.293032  -0.000000      0.000000  
1 1 1 4  4  13 o 53.28112 3.583393  28.78061       3.783412  28.78061       3.783412  28.78061       3.783412  53.28112 3.583393  53.28112 3.583393  -0.000000      0.000000  
1 1 1 4  4  14 o 78.33915 3.069752  61.66866       4.793592  61.66866       4.793592  61.66866       4.793592  78.33915 3.069752  78.33915 3.069752  -0.000000      0.000000  
1 1 1 4  4  15 o 85.81376 3.409953  74.01954       5.832363  74.01954       5.832363  74.01954       5.832363  85.81376 3.409953  85.81376 3.409953  0.000000       0.000000  
1 1 1 4  4  16 o 140.9499 2.896548  198.9865       8.157682  198.9865       8.157682  198.9865       8.157682  140.9499 2.896548  140.9499 2.896548  0.000000       0.000000  
1 1 1 4  4  17 o 98.79344 4.110281  98.18763       8.090974  98.18763       8.090974  98.18763       8.090974  98.79344 4.110281  98.79344 4.110281  -0.000000      0.000000  
1 1 1 4  4  18 o 106.6978 3.995781  114.4363       8.500763  114.4363       8.500763  114.4363       8.500763  106.6978 3.995781  106.6978 3.995781  0.000000       0.000000  
1 1 1 4  4  19 o 120.1235 5.434537  145.5613       12.99893  145.5613       12.99893  145.5613       12.99893  120.1235 5.434537  120.1235 5.434537  0.000000       0.000000  
1 1 1 4  4  20 o 15.52777 10.55039  -3.983541      9.472824  -3.983541      9.472824  -3.983541      9.472824  15.52777 10.55039  15.52777 10.55039  0.000000       0.000000  
1 1 1 4  4  21 o 26.33432 15.21800  9.539534       12.73209  9.539534       12.73209  9.539534       12.73209  26.33432 15.21800  26.33432 15.21800  -0.000000      0.000000  
1 1 1 4  4  22 o 62.55412 15.64762  47.54519       16.91576  47.54519       16.91576  47.54519       16.91576  62.55412 15.64762  62.55412 15.64762  0.000000       0.000000  
1 1 1 4  4  23 o 63.79398 24.97100  62.20234       30.34353  62.20234       30.34353  62.20234       30.34353  63.79398 24.97100  63.79398 24.97100  0.000000       0.000000  
1 1 1 4  4  24 o 19.28014 13.75980  -21.69029      21.48063  -21.69029      21.48063  -21.69029      21.48063  19.28014 13.75980  19.28014 13.75980  -0.000000      0.000000  
1 1 1 5  0  1  o 501.7096 5.581348  2518.675       55.98878  2518.675       55.98878  2518.675       55.98878  501.7096 5.581348  501.7096 5.581348  -0.000000      0.000000  
1 1 1 5  0  2  o 491.7009 5.472979  2419.163       53.80640  2419.163       53.80640  2419.163       53.80640  491.7009 5.472979  491.7009 5.472979  0.000000       0.000000  
1 1 1 5  0  3  o 162.5318 1.856331  264.2766       6.032492  264.2766       6.032492  264.2766       6.032492  162.5318 1.856331  162.5318 1.856331  -0.000000      0.000000  
1 1 1 5  0  4  o 556.9952 5.806726  3104.456       64.67061  3104.456       64.67061  3104.456       64.67061  556.9952 5.806726  556.9952 5.806726  0.000000       0.000000  
1 1 1 5  0  5  o 768.8728 7.959978  5918.656       122.3748  5918.656       122.3748  5918.656       122.3748  768.8728 7.959978  768.8728 7.959978  -0.000000      0.000000  
1 1 1 5  0  6  o 81.54511 1.297969  66.54802       2.115661  66.54802       2.115661  66.54802       2.115661  81.54511 1.297969  81.54511 1.297969  0.000000       0.000000  
1 1 1 5  0  7  o 200.1709 2.283534  400.8605       9.139274  400.8605       9.139274  400.8605       9.139274  200.1709 2.283534  200.1709 2.283534  0.000000       0.000000  
1 1 1 5  0  8  o 531.3419 5.588367  2824.712       59.37193  2824.712       59.37193  2824.712       59.37193  531.3419 5.588367  531.3419 5.588367  0.000000       0.000000  
1 1 1 5  0  9  o 830.2502 8.610933  6898.684       142.9501  6898.684       142.9501  6898.684       142.9501  830.2502 8.610933  830.2502 8.610933  -0.000000      0.000000  
1 1 1 5  0  10 o 336.3427 3.701455  1131.793       24.89237  1131.793       24.89237  1131.793       24.89237  336.3427 3.701455  336.3427 3.701455  -0.000000      0.000000  
1 1 1 5  0  11 o 182.1827 2.362693  332.0920       8.605594  332.0920       8.605594  332.0920       8.605594  182.1827 2.362693  182.1827 2.362693  0.000000       0.000000  
1 1 1 5  0  12 o 217.5146 2.723947  473.4029       11.84580  473.4029       11.84580  473.4029       11.84580  217.5146 2.723947  217.5146 2.723947  0.000000       0.000000  
1 1 1 5  0  13 o 462.8327 4.989375  2144.108       46.17287  2144.108       46.17287  2144.108       46.17287  462.8327 4.989375  462.8327 4.989375  -0.000000      0.000000  
1 1 1 5  0  14 o 209.6152 2.751651  439.7048       11.53130  439.7048       11.53130  439.7048       11.53130  209.6152 2.751651  209.6152 2.751651  -0.000000      0.000000  
1 1 1 5  0  15 o 35.25747 7.763868  14.11394       4.784062  14.11394       4.784062  14.11394       4.784062  35.25747 7.763868  35.25747 7.763868  -0.000000      0.000000  
1 1 1 5  0  16 o 303.8613 3.813520  924.2865       23.16744  924.2865       23.16744  924.2865       23.16744  303.8613 3.813520  303.8613 3.813520  -0.000000      0.000000  
1 1 1 5  0  17 o 95.59806 3.765954  91.87877       7.176094  91.87877       7.176094  91.87877       7.176094  95.59806 3.765954  95.59806 3.765954  0.000000       0.000000  
1 1 1 5  0  18 o 208.2418 3.544439  434.3680       14.75245  434.3680       14.75245  434.3680       14.75245  208.2418 3.544439  208.2418 3.544439  0.000000       0.000000  
1 1 1 5  0  19 o 51.60328 11.81730  30.70568       10.60689  30.70568       10.60689  30.70568       10.60689  51.60328 11.81730  51.60328 11.81730  -0.000000      0.000000  
1 1 1 5  0  20 o 217.3647 4.027910  473.9938       17.49709  473.9938       17.49709  473.9938       17.49709  217.3647 4.027910  217.3647 4.027910  0.000000       0.000000  
1 1 1 5  0  21 o 88.92491 8.766731  82.39642       15.31472  82.39642       15.31472  82.39642       15.31472  88.92491 8.766731  88.92491 8.766731  0.000000       0.000000  
1 1 1 5  0  22 o 22.58515 13.97925  4.993722       12.18888  4.993722       12.18888  4.993722       12.18888  22.58515 13.97925  22.58515 13.97925  0.000000       0.000000  
1 1 1 5  0  23 o 73.74723 17.19342  65.74750       22.02384  65.74750       22.02384  65.74750       22.02384  73.74723 17.19342  73.74723 17.19342  0.000000       0.000000  
1 1 1 5  0  24 o 24.87154 16.06760  3.916832       18.06889  3.916832       18.06889  3.916832       18.06889  24.87154 16.06760  24.87154 16.06760  -0.000000      0.000000  
1 1 1 5  1  0  o 339.0383 4.108067  1150.129       27.84667  1150.129       27.84667  1150.129       27.84667  339.0383 4.108067  339.0383 4.108067  -0.000000      0.000000  
1 1 1 5  1  1  o 420.7470 2.452660  1771.671       14.58090  1685.172       29.16181  1858.170       29.16181  410.4678 3.552266  431.0262 3.382835  -20.55844      4.905320  
1 1 1 5  1  2  o 889.7559 4.904821  7933.724       61.58765  7340.257       123.1753  8527.189       123.1753  856.4059 7.191409  923.1058 6.671786  -66.69995      9.809643  
1 1 1 5  1  3  o 748.0594 3.861434  5599.958       40.83606  5426.832       81.67213  5773.085       81.67213  736.4877 5.544704  759.6312 5.375775  -23.14349      7.722869  
1 1 1 5  1  4  o 599.5765 3.119106  3596.466       26.44576  3648.124       52.89152  3544.809       52.89152  603.8843 4.379276  595.2687 4.442659  8.615662       6.238212  
1 1 1 5  1  5  o 533.2874 2.798202  2846.397       21.08990  2964.499       42.17980  2728.297       42.17980  544.3602 3.874255  522.2145 4.038551  22.14569       5.596405  
1 1 1 5  1  6  o 499.0845 2.629992  2495.417       18.52156  2303.612       37.04313  2687.223       37.04313  479.8688 3.859714  518.3003 3.573520  -38.43149      5.259984  
1 1 1 5  1  7  o 335.3691 1.802772  1125.026       8.548413  1151.958       17.09683  1098.095       17.09683  339.3843 2.518800  331.3539 2.579844  8.030487       3.605544  
1 1 1 5  1  8  o 215.7413 1.255802  466.6557       3.816766  419.4822       7.633533  513.8292       7.633533  204.8084 1.863579  226.6741 1.683812  -21.86575      2.511603  
1 1 1 5  1  9  o 362.4678 1.975352  1314.388       10.12086  1361.723       20.24173  1267.052       20.24173  368.9974 2.742801  355.9382 2.843433  13.05920       3.950705  
1 1 1 5  1  10 o 563.6746 2.971204  3178.423       23.68206  3237.561       47.36412  3119.284       47.36412  568.9204 4.162632  558.4288 4.240838  10.49158       5.942407  
1 1 1 5  1  11 o 274.4646 1.556196  754.4380       6.027727  698.0728       12.05545  810.8032       12.05545  264.1964 2.281533  284.7328 2.116977  -20.53644      3.112391  
1 1 1 5  1  12 o 789.3444 4.135386  6237.297       46.16334  6228.229       92.32668  6246.365       92.32668  788.7700 5.852573  789.9188 5.844062  -1.148804      8.270772  
1 1 1 5  1  13 o 327.2010 1.875240  1070.972       8.677070  1061.252       17.35414  1080.693       17.35414  325.7156 2.664002  328.6864 2.639924  -2.970795      3.750480  
1 1 1 5  1  14 o 399.2637 2.226314  1595.051       12.57007  1575.958       25.14015  1614.144       25.14015  396.8726 3.167282  401.6547 3.129572  -4.782135      4.452628  
1 1 1 5  1  15 o 211.5504 1.499490  447.8340       4.483867  431.3947       8.967733  464.2732       8.967733  207.6650 2.159183  215.4358 2.081300  -7.770859      2.998981  
1 1 1 5  1  16 o 120.7451 1.469519  146.1426       2.501626  132.9340       5.003252  159.3512       5.003252  115.2755 2.170129  126.2147 1.982040  -10.93923      2.939038  
1 1 1 5  1  17 o 156.6145 1.655659  245.7502       3.659522  263.9144       7.319043  227.5860       7.319043  162.4135 2.253213  150.8155 2.426490  11.59802       3.311317  
1 1 1 5  1  18 o 303.6776 2.154469  923.5384       9.248869  892.9328       18.49774  954.1440       18.49774  298.6385 3.097012  308.7168 2.995908  -10.07831      4.308938  
1 1 1 5  1  19 o 104.9439 2.881884  110.7482       4.259912  99.34076       8.519823  122.1556       8.519823  99.50888 4.280936  110.3789 3.859354  -10.87001      5.763768  
1 1 1 5  1  20 o 45.38979 6.334255  22.74812       4.121727  7.290452       8.243454  38.20578       8.243454  29.34254 10.74627  61.43704 6.708862  -32.09450      12.66851  
1 1 1 5  1  21 o 151.4337 2.956987  230.9644       6.323157  245.4834       12.64631  216.4454       12.64631  156.2275 4.047403  146.6398 4.312032  9.587677       5.913974  
1 1 1 5  1  22 o 35.16133 9.485185  5.117613       7.566823  -11.42647      15.13365  21.66170       15.13365  25.83323 12.03252  44.48944 14.66606  -18.65621      18.97037  
1 1 1 5  1  23 o 64.87459 10.07401  48.94134       9.625304  23.79642       19.25061  74.08625       19.25061  46.64358 16.48635  83.10560 11.58202  -36.46202      20.14803  
1 1 1 5  1  24 o 33.66516 14.15092  6.356512       16.17241  6.356512       16.17241  ?              ?         33.66516 14.15092  ?        ?         ?              ?         
1 1 1 5  1  25 o 59.61288 15.76026  46.30629       19.07907  46.30629       19.07907  ?              ?         59.61288 15.76026  ?        ?         ?              ?         
1 1 1 5  2  0  o 447.2563 4.646205  2001.368       41.55082  2001.368       41.55082  2001.368       41.55082  447.2563 4.646205  447.2563 4.646205  -0.000000      0.000000  
1 1 1 5  2  1  o 882.4781 5.054449  7794.004       63.07910  7741.965       126.1582  7846.042       126.1582  879.5297 7.171912  885.4266 7.124148  -5.896851      10.10890  
1 1 1 5  2  2  o 604.9534 3.125796  3661.337       26.73642  3749.342       53.47285  3573.332       53.47285  612.2271 4.367077  597.6797 4.473370  14.54736       6.251592  
1 1 1 5  2  3  o 177.2323 0.9873463 314.2662       2.473036  300.8527       4.946072  327.6797       4.946072  173.4482 1.425807  181.0165 1.366194  -7.568283      1.974693  
1 1 1 5  2  4  o 194.1642 1.094604  379.7278       2.973361  315.7672       5.946723  443.6884       5.946723  177.6934 1.673310  210.6349 1.411618  -32.94153      2.189208  
1 1 1 5  2  5  o 479.9836 2.534083  2309.315       17.14924  2102.147       34.29848  2516.483       34.29848  458.4029 3.741085  501.5644 3.419151  -43.16147      5.068167  
1 1 1 5  2  6  o 466.2858 2.455276  2175.243       16.18671  2231.450       32.37342  2119.035       32.37342  472.3130 3.427116  460.2586 3.516874  12.05444       4.910552  
1 1 1 5  2  7  o 757.1474 3.923790  5736.233       42.01303  5677.290       84.02605  5795.177       84.02605  753.2549 5.577530  761.0399 5.520476  -7.784912      7.847579  
1 1 1 5  2  8  o 732.1157 3.808414  5362.276       39.42563  5259.124       78.85126  5465.429       78.85126  725.0709 5.437486  739.1606 5.333838  -14.08972      7.616829  
1 1 1 5  2  9  o 193.3965 1.124838  374.2814       3.073426  393.5129       6.146852  355.0498       6.146852  198.3685 1.549352  188.4244 1.631119  9.944092       2.249676  
1 1 1 5  2  10 o 547.7576 2.895150  3005.258       22.38121  2783.390       44.76243  3227.126       44.76243  527.5052 4.242843  568.0100 3.940285  -40.50482      5.790299  
1 1 1 5  2  11 o 999.0212 5.179104  9994.353       73.14278  9669.142       146.2856  10319.56       146.2856  982.7447 7.442704  1015.298 7.204072  -32.55304      10.35821  
1 1 1 5  2  12 o 343.5829 1.919469  1180.901       9.325109  1206.022       18.65022  1155.780       18.65022  347.2387 2.685504  339.9272 2.743267  7.311523       3.838938  
1 1 1 5  2  13 o 471.1024 2.575935  2223.055       17.13495  2366.710       34.26989  2079.399       34.26989  486.3491 3.523179  455.8557 3.758854  30.49344       5.151870  
1 1 1 5  2  14 o 289.5224 1.710363  838.7643       6.999787  809.3450       13.99957  868.1833       13.99957  284.4417 2.460886  294.6030 2.376007  -10.16125      3.420727  
1 1 1 5  2  15 o 109.5060 1.420624  120.4211       2.187136  105.4018       4.374272  135.4404       4.374272  102.6483 2.130708  116.3638 1.879568  -13.71548      2.841249  
1 1 1 5  2  16 o 298.2677 1.842453  890.1168       7.771719  891.8083       15.54344  888.4251       15.54344  298.5513 2.603144  297.9841 2.608098  0.5671387      3.684906  
1 1 1 5  2  17 o 172.4625 1.551296  297.5839       3.783412  294.2293       7.566823  300.9384       7.566823  171.4900 2.206200  173.4351 2.181457  -1.945099      3.102592  
1 1 1 5  2  18 o 181.8032 1.751502  331.0294       4.498162  312.8605       8.996324  349.1984       8.996324  176.8064 2.544118  186.8001 2.408008  -9.993744      3.503004  
1 1 1 5  2  19 o 181.6161 1.975816  330.3051       5.074727  331.7776       10.14945  328.8328       10.14945  182.0215 2.787982  181.2108 2.800456  0.8107300      3.951632  
1 1 1 5  2  20 o 275.6866 2.583390  763.2390       10.06368  799.1479       20.12737  727.3299       20.12737  282.1992 3.566163  269.1739 3.738729  13.02530       5.166780  
1 1 1 5  2  21 o 22.36622 7.091232  -8.095737      5.041372  2.449211       10.08274  -18.64069      10.08274  27.14258 11.27706  17.58986 8.600599  9.552717       14.18246  
1 1 1 5  2  22 o 69.04439 5.918299  49.44642       5.756122  44.56230       11.51224  54.33055       11.51224  65.50745 8.786975  72.58134 7.930583  -7.073891      11.83660  
1 1 1 5  2  23 o 69.49094 7.824148  52.80098       7.323808  65.27100       14.64762  40.33097       14.64762  78.96131 9.275186  60.02058 12.60318  18.94073       15.64830  
1 1 1 5  2  24 f 63.91625 9.769335  49.70850       9.348933  20.77541       18.69787  78.64159       18.69787  43.15063 16.12069  84.68188 11.04006  -41.53125      19.53867  
1 1 1 5  3  0  o 116.9869 1.368985  136.9176       3.202081  136.9176       3.202081  136.9176       3.202081  116.9869 1.368985  116.9869 1.368985  -0.000000      0.000000  
1 1 1 5  3  1  o 144.6974 0.8439611 213.4435       1.677281  155.0913       3.354562  271.7957       3.354562  124.5339 1.346847  164.8609 1.017391  -40.32706      1.687922  
1 1 1 5  3  2  o 372.9785 2.023611  1408.010       10.48301  1712.923       20.96601  1103.098       20.96601  413.8539 2.533021  332.1031 3.156551  81.75070       4.047223  
1 1 1 5  3  3  o 459.3539 2.406000  2111.820       15.61491  2218.776       31.22982  2004.865       31.22982  470.9958 3.315297  447.7120 3.487714  23.28384       4.812000  
1 1 1 5  3  4  o 618.7114 3.218265  3830.418       28.15163  3934.862       56.30326  3725.974       56.30326  627.1518 4.488807  610.2709 4.612973  16.88086       6.436529  
1 1 1 5  3  5  o 292.5097 1.596291  856.8997       6.589998  793.9352       13.18000  919.8646       13.18000  281.7469 2.338978  303.2726 2.172962  -21.52570      3.192583  
1 1 1 5  3  6  o 188.4489 1.085872  355.2785       2.892356  341.7745       5.784712  368.7825       5.784712  184.8660 1.564569  192.0318 1.506186  -7.165878      2.171744  
1 1 1 5  3  7  o 307.6328 1.686775  946.5105       7.338103  957.2984       14.67621  935.7225       14.67621  309.3862 2.371826  305.8795 2.399018  3.506775       3.373551  
1 1 1 5  3  8  o 526.6180 2.764227  2774.775       20.57528  2668.601       41.15055  2880.949       41.15055  516.5374 3.983309  536.6988 3.833673  -20.16144      5.528453  
1 1 1 5  3  9  o 283.8041 1.588594  805.5331       6.375573  815.9589       12.75115  795.1073       12.75115  285.6409 2.232024  281.9673 2.261104  3.673615       3.177188  
1 1 1 5  3  10 o 399.3052 2.157252  1595.747       12.16981  1513.165       24.33963  1678.329       24.33963  388.9644 3.128773  409.6459 2.970813  -20.68146      4.314505  
1 1 1 5  3  11 o 583.2093 3.081178  3402.835       25.41175  3363.672       50.82351  3441.999       50.82351  579.8517 4.382458  586.5669 4.332286  -6.715210      6.162357  
1 1 1 5  3  12 o 437.7446 2.353052  1916.912       14.56661  1930.998       29.13322  1902.827       29.13322  439.3535 3.315465  436.1357 3.339926  3.217743       4.706104  
1 1 1 5  3  13 o 229.2474 1.420608  525.8466       4.602992  546.5743       9.205984  505.1188       9.205984  233.7682 1.969041  224.7266 2.048263  9.041656       2.841215  
1 1 1 5  3  14 o 240.1616 1.550478  576.9846       5.265327  587.9536       10.53065  566.0155       10.53065  242.4453 2.171759  237.8779 2.213458  4.567337       3.100957  
1 1 1 5  3  15 o 344.0416 1.993961  1184.341       9.701544  1180.577       19.40309  1188.106       19.40309  343.4945 2.824367  344.5887 2.815399  -1.094147      3.987921  
1 1 1 5  3  16 o 245.8676 1.640415  604.7789       5.703707  599.4277       11.40741  610.1299       11.40741  244.7794 2.330142  246.9558 2.309607  -2.176407      3.280830  
1 1 1 5  3  17 o 253.7762 1.799917  645.2765       6.447048  598.5510       12.89410  692.0021       12.89410  244.5701 2.636073  262.9822 2.451514  -18.41212      3.599834  
1 1 1 5  3  18 o 194.2316 1.836198  377.6979       5.041372  364.2939       10.08274  391.1018       10.08274  190.7811 2.642491  197.6821 2.550242  -6.901001      3.672396  
1 1 1 5  3  19 o 143.7711 2.800162  208.3020       5.651292  237.3638       11.30258  179.2403       11.30258  153.8781 3.672578  133.6642 4.227978  20.21390       5.600323  
1 1 1 5  3  20 o 102.9449 4.189388  107.0744       6.094438  111.8918       12.18888  102.2569       12.18888  105.2847 5.788533  100.6051 6.057785  4.679611       8.378776  
1 1 1 5  3  21 o 38.12143 10.51399  10.57354       8.276809  5.880013       16.55362  15.26707       16.55362  35.26327 14.53447  40.97960 15.19622  -5.716328      21.02798  
1 1 1 5  3  22 o 51.77620 12.25736  28.01344       11.65996  48.11699       23.31992  7.909904       23.31992  63.38076 17.71621  40.17164 16.94425  23.20912       24.51472  
1 1 1 5  3  23 o 63.70177 6.764999  42.62294       6.094438  42.70395       12.18888  42.54193       12.18888  63.76536 9.557600  63.63820 9.576697  0.1271629      13.53000  
1 1 1 5  3  24 o 43.20665 15.87881  21.08037       18.01171  21.08037       18.01171  ?              ?         43.20665 15.87881  ?        ?         ?              ?         
1 1 1 5  4  0  f 322.0992 3.446311  1037.932       22.19538  1037.932       22.19538  1037.932       22.19538  322.0992 3.446311  322.0992 3.446311  0.000000       0.000000  
1 1 1 5  4  1  o 358.3596 1.913520  1290.767       9.625304  1472.176       19.25061  1109.359       19.25061  383.6705 2.508742  333.0486 2.890060  50.62192       3.827039  
1 1 1 5  4  2  f 867.2833 4.672342  7527.326       57.30391  7431.630       114.6078  7623.022       114.6078  861.7664 6.649588  872.8003 6.565524  -11.03394      9.344685  
1 1 1 5  4  3  o 1006.477 5.172177  10139.30       73.61928  10156.51       147.2386  10122.10       147.2386  1007.331 7.308350  1005.622 7.320771  1.709106       10.34435  
1 1 1 5  4  4  o 287.0371 1.561518  825.3411       6.323157  758.6932       12.64631  891.9894       12.64631  275.4274 2.295762  298.6468 2.117270  -23.21933      3.123036  
1 1 1 5  4  5  o 284.3192 1.540010  808.6971       6.189737  835.0189       12.37947  782.3751       12.37947  288.9482 2.142162  279.6903 2.213068  9.257874       3.080021  
1 1 1 5  4  6  o 366.2852 1.960473  1343.249       10.13992  1428.691       20.27985  1257.808       20.27985  377.9484 2.682886  354.6220 2.859361  23.32642       3.920946  
1 1 1 5  4  7  o 609.5343 3.191924  3720.251       27.47500  3489.563       54.95000  3950.939       54.95000  590.6110 4.651962  628.4576 4.371814  -37.84662      6.383848  
1 1 1 5  4  8  o 609.9725 3.194194  3721.795       27.55124  3659.750       55.10249  3783.840       55.10249  604.8866 4.554778  615.0583 4.479452  -10.17175      6.388387  
1 1 1 5  4  9  o 506.5349 2.669788  2567.788       19.10766  2693.942       38.21531  2441.635       38.21531  518.9875 3.681719  494.0823 3.867302  24.90515       5.339577  
1 1 1 5  4  10 o 621.7823 3.268922  3868.914       28.72820  3717.578       57.45639  4020.251       57.45639  609.6127 4.712533  633.9519 4.531605  -24.33917      6.537844  
1 1 1 5  4  11 o 33.98248 2.345805  11.60278       1.119775  10.05415       2.239551  13.15141       2.239551  31.70391 3.531979  36.26104 3.088095  -4.557127      4.691610  
1 1 1 5  4  12 o 410.6287 2.250307  1688.145       13.05134  1786.199       26.10268  1590.091       26.10268  422.5681 3.088576  398.6891 3.273563  23.87900       4.500613  
1 1 1 5  4  13 o 297.1137 1.723543  883.7220       7.233273  933.8355       14.46655  833.6085       14.46655  305.5471 2.367318  288.6803 2.505635  16.86682       3.447086  
1 1 1 5  4  14 o 230.1870 1.486161  530.1017       4.836477  545.2115       9.672954  514.9919       9.672954  233.4691 2.071571  226.9049 2.131499  6.564133       2.972322  
1 1 1 5  4  15 o 100.7555 1.493821  102.7239       2.091836  80.88114       4.183672  124.5667       4.183672  89.91602 2.326433  111.5950 1.874489  -21.67899      2.987641  
1 1 1 5  4  16 o 68.74094 2.129575  47.32123       2.068011  44.78149       4.136022  49.86098       4.136022  66.89360 3.091493  70.58826 2.929681  -3.694664      4.259150  
1 1 1 5  4  17 o 472.3877 2.888974  2235.205       19.29826  2269.771       38.59651  2200.640       38.59651  476.0463 4.053862  468.7291 4.117146  7.317169       5.777948  
1 1 1 5  4  18 o 252.3987 1.976321  637.8050       7.052203  619.4788       14.10441  656.1313       14.10441  248.7683 2.834848  256.0291 2.754454  -7.260803      3.952642  
1 1 1 5  4  19 o 100.2760 3.004544  100.9037       4.259912  98.54025       8.519823  103.2671       8.519823  99.09755 4.298706  101.4545 4.198840  -2.356941      6.009088  
1 1 1 5  4  20 o 187.3451 2.027334  352.0717       5.365392  332.9974       10.73078  371.1460       10.73078  182.2544 2.943903  192.4358 2.788147  -10.18138      4.054667  
1 1 1 5  4  21 o 125.8212 3.302881  159.5847       5.875248  155.0150       11.75050  164.1543       11.75050  124.0053 4.737900  127.6371 4.603086  -3.631836      6.605763  
1 1 1 5  4  22 o 99.61700 3.926264  100.9275       5.517872  92.93660       11.03574  108.9184       11.03574  95.60618 5.771460  103.6278 5.324702  -8.021645      7.852528  
1 1 1 5  4  23 o 132.2086 5.100570  179.8979       9.534769  175.9429       19.06954  183.8528       19.06954  130.7129 7.294435  133.7044 7.131232  -2.991440      10.20114  
1 1 1 5  4  24 o 110.7069 6.933426  132.2336       10.78320  115.9134       21.56640  148.5537       21.56640  103.3360 10.43508  118.0778 9.132285  -14.74175      13.86685  
1 1 1 5  4  25 o 56.97847 16.08818  42.82784       19.13625  42.82784       19.13625  ?              ?         56.97847 16.08818  ?        ?         ?              ?         
1 1 1 5  5  0  o 601.7681 8.858581  3624.718       106.5645  3624.718       106.5645  3624.718       106.5645  601.7681 8.858581  601.7681 8.858581  0.000000       0.000000  
1 1 1 5  5  1  o 81.90997 1.099926  67.12935       1.801171  67.12935       1.801171  67.12935       1.801171  81.90997 1.099926  81.90997 1.099926  0.000000       0.000000  
1 1 1 5  5  2  o 133.6097 1.562545  178.5923       4.174142  178.5923       4.174142  178.5923       4.174142  133.6097 1.562545  133.6097 1.562545  -0.000000      0.000000  
1 1 1 5  5  3  o 224.5007 2.447882  504.2134       10.98809  504.2134       10.98809  504.2134       10.98809  224.5007 2.447882  224.5007 2.447882  0.000000       0.000000  
1 1 1 5  5  4  o 85.41946 1.322780  73.01890       2.258611  73.01890       2.258611  73.01890       2.258611  85.41946 1.322780  85.41946 1.322780  -0.000000      0.000000  
1 1 1 5  5  5  o 595.9910 6.225702  3555.139       74.19108  3555.139       74.19108  3555.139       74.19108  595.9910 6.225702  595.9910 6.225702  -0.000000      0.000000  
1 1 1 5  5  6  o 78.85335 1.421104  62.24045       2.239551  62.24045       2.239551  62.24045       2.239551  78.85335 1.421104  78.85335 1.421104  -0.000000      0.000000  
1 1 1 5  5  7  o 189.9120 2.196084  360.8250       8.338754  360.8250       8.338754  360.8250       8.338754  189.9120 2.196084  189.9120 2.196084  0.000000       0.000000  
1 1 1 5  5  8  o 766.2489 7.962370  5875.428       121.9936  5875.428       121.9936  5875.428       121.9936  766.2489 7.962370  766.2489 7.962370  0.000000       0.000000  
1 1 1 5  5  9  o 46.74396 2.595841  22.05243       2.411091  22.05243       2.411091  22.05243       2.411091  46.74396 2.595841  46.74396 2.595841  0.000000       0.000000  
1 1 1 5  5  10 o 803.9113 8.370161  6468.432       134.5446  6468.432       134.5446  6468.432       134.5446  803.9113 8.370161  803.9113 8.370161  0.000000       0.000000  
1 1 1 5  5  11 o 612.3982 6.421597  3753.306       78.63206  3753.306       78.63206  3753.306       78.63206  612.3982 6.421597  612.3982 6.421597  -0.000000      0.000000  
1 1 1 5  5  12 o 250.3347 2.987472  627.0361       14.95257  627.0361       14.95257  627.0361       14.95257  250.3347 2.987472  250.3347 2.987472  -0.000000      0.000000  
1 1 1 5  5  13 o 119.0793 2.318851  141.9780       5.517872  141.9780       5.517872  141.9780       5.517872  119.0793 2.318851  119.0793 2.318851  0.000000       0.000000  
1 1 1 5  5  14 o 278.2938 3.281637  775.0370       18.25949  775.0370       18.25949  775.0370       18.25949  278.2938 3.281637  278.2938 3.281637  -0.000000      0.000000  
1 1 1 5  5  15 o 177.3093 2.747996  314.6998       9.739664  314.6998       9.739664  314.6998       9.739664  177.3093 2.747996  177.3093 2.747996  0.000000       0.000000  
1 1 1 5  5  16 o 42.81654 8.130054  20.15596       6.251682  20.15596       6.251682  20.15596       6.251682  42.81654 8.130054  42.81654 8.130054  0.000000       0.000000  
1 1 1 5  5  17 f 24.15038 12.11548  8.681833       7.109383  8.681833       7.109383  8.681833       7.109383  24.15038 12.11548  24.15038 12.11548  0.000000       0.000000  
1 1 1 5  5  18 o 375.3296 4.766349  1411.403       35.76610  1411.403       35.76610  1411.403       35.76610  375.3296 4.766349  375.3296 4.766349  0.000000       0.000000  
1 1 1 5  5  19 o 78.31528 6.474329  62.82178       10.00650  62.82178       10.00650  62.82178       10.00650  78.31528 6.474329  78.31528 6.474329  0.000000       0.000000  
1 1 1 5  5  20 f 311.0669 5.148554  972.2224       32.01128  972.2224       32.01128  972.2224       32.01128  311.0669 5.148554  311.0669 5.148554  0.000000       0.000000  
1 1 1 5  5  21 f 70.66150 10.20449  52.66280       13.93286  52.66280       13.93286  52.66280       13.93286  70.66150 10.20449  70.66150 10.20449  0.000000       0.000000  
1 1 1 5  5  22 o 162.9188 5.860256  268.7271       19.04095  268.7271       19.04095  268.7271       19.04095  162.9188 5.860256  162.9188 5.860256  0.000000       0.000000  
1 1 1 5  5  23 f 29.48731 17.10695  12.77974       16.19147  12.77974       16.19147  12.77974       16.19147  29.48731 17.10695  29.48731 17.10695  -0.000000      0.000000  
1 1 1 5  5  24 o 58.42321 19.71455  48.16464       20.54669  48.16464       20.54669  48.16464       20.54669  58.42321 19.71455  58.42321 19.71455  -0.000000      0.000000  
1 1 1 6  0  0  o 436.6709 6.411778  1908.355       55.96971  1908.355       55.96971  1908.355       55.96971  436.6709 6.411778  436.6709 6.411778  0.000000       0.000000  
1 1 1 6  0  1  o 147.9869 1.803735  219.1043       5.336802  219.1043       5.336802  219.1043       5.336802  147.9869 1.803735  147.9869 1.803735  -0.000000      0.000000  
1 1 1 6  0  2  o 187.3788 2.197811  351.2664       8.233924  351.2664       8.233924  351.2664       8.233924  187.3788 2.197811  187.3788 2.197811  -0.000000      0.000000  
1 1 1 6  0  3  o 413.5837 4.366494  1711.360       36.10918  1711.360       36.10918  1711.360       36.10918  413.5837 4.366494  413.5837 4.366494  -0.000000      0.000000  
1 1 1 6  0  4  o 822.8956 8.503116  6778.997       139.9100  6778.997       139.9100  6778.997       139.9100  822.8956 8.503116  822.8956 8.503116  0.000000       0.000000  
1 1 1 6  0  5  o 476.6614 5.015550  2273.621       47.80250  2273.621       47.80250  2273.621       47.80250  476.6614 5.015550  476.6614 5.015550  -0.000000      0.000000  
1 1 1 6  0  6  o 417.2500 4.442375  1741.980       37.06219  1741.980       37.06219  1741.980       37.06219  417.2500 4.442375  417.2500 4.442375  0.000000       0.000000  
1 1 1 6  0  7  o 176.6813 2.098889  312.3078       7.414343  312.3078       7.414343  312.3078       7.414343  176.6813 2.098889  176.6813 2.098889  -0.000000      0.000000  
1 1 1 6  0  8  o 83.45178 1.617252  69.72150       2.696991  69.72150       2.696991  69.72150       2.696991  83.45178 1.617252  83.45178 1.617252  0.000000       0.000000  
1 1 1 6  0  9  o 401.9079 4.317872  1616.051       34.69875  1616.051       34.69875  1616.051       34.69875  401.9079 4.317872  401.9079 4.317872  -0.000000      0.000000  
1 1 1 6  0  10 o 801.9578 8.328731  6436.936       133.5535  6436.936       133.5535  6436.936       133.5535  801.9578 8.328731  801.9578 8.328731  0.000000       0.000000  
1 1 1 6  0  11 o 637.6602 6.730043  4069.464       85.80816  4069.464       85.80816  4069.464       85.80816  637.6602 6.730043  637.6602 6.730043  -0.000000      0.000000  
1 1 1 6  0  12 o 334.3733 3.790313  1118.746       25.34028  1118.746       25.34028  1118.746       25.34028  334.3733 3.790313  334.3733 3.790313  -0.000000      0.000000  
1 1 1 6  0  13 o 111.7139 2.438105  124.9955       5.441632  124.9955       5.441632  124.9955       5.441632  111.7139 2.438105  111.7139 2.438105  -0.000000      0.000000  
1 1 1 6  0  14 o 104.4802 2.548220  109.3758       5.317742  109.3758       5.317742  109.3758       5.317742  104.4802 2.548220  104.4802 2.548220  0.000000       0.000000  
1 1 1 6  0  15 o 15.36797 9.380035  2.230021       5.336802  2.230021       5.336802  2.230021       5.336802  15.36797 9.380035  15.36797 9.380035  0.000000       0.000000  
1 1 1 6  0  16 o 28.19282 11.38854  11.10245       6.242152  11.10245       6.242152  11.10245       6.242152  28.19282 11.38854  28.19282 11.38854  0.000000       0.000000  
1 1 1 6  0  17 o 66.58788 5.392961  45.26752       7.090323  45.26752       7.090323  45.26752       7.090323  66.58788 5.392961  66.58788 5.392961  0.000000       0.000000  
1 1 1 6  0  18 o 54.35068 7.599212  30.54366       8.062383  30.54366       8.062383  30.54366       8.062383  54.35068 7.599212  54.35068 7.599212  -0.000000      0.000000  
1 1 1 6  0  19 o 351.8425 4.759607  1241.169       33.47890  1241.169       33.47890  1241.169       33.47890  351.8425 4.759607  351.8425 4.759607  0.000000       0.000000  
1 1 1 6  0  20 o 15.17439 10.55180  -7.995674      10.77843  -7.995674      10.77843  -7.995674      10.77843  15.17439 10.55180  15.17439 10.55180  -0.000000      0.000000  
1 1 1 6  0  21 o 17.69888 12.78389  -29.29523      20.53716  -29.29523      20.53716  -29.29523      20.53716  17.69888 12.78389  17.69888 12.78389  -0.000000      0.000000  
1 1 1 6  0  22 f 26.36644 17.31871  0.9339404      22.11914  0.9339404      22.11914  0.9339404      22.11914  26.36644 17.31871  26.36644 17.31871  0.000000       0.000000  
1 1 1 6  0  23 o 117.4165 6.490126  140.7105       15.14318  140.7105       15.14318  140.7105       15.14318  117.4165 6.490126  117.4165 6.490126  0.000000       0.000000  
1 1 1 6  0  24 o 84.23009 10.78405  77.46940       17.68769  77.46940       17.68769  77.46940       17.68769  84.23009 10.78405  84.23009 10.78405  0.000000       0.000000  
1 1 1 6  1  0  o 575.6479 5.953875  3315.689       68.53025  3315.689       68.53025  3315.689       68.53025  575.6479 5.953875  575.6479 5.953875  0.000000       0.000000  
1 1 1 6  1  1  o 65.74182 0.5434130 43.22810       0.5050902 42.06544       1.010180  44.39076       1.010180  64.85756 0.7787685 66.62609 0.7580968 -1.768532      1.086826  
1 1 1 6  1  2  o 177.6768 1.076513  316.3247       2.696991  344.3667       5.393982  288.2826       5.393982  185.5681 1.453370  169.7855 1.588470  15.78261       2.153026  
1 1 1 6  1  3  o 553.7367 2.913454  3079.563       22.67664  2688.738       45.35329  3470.389       45.35329  518.4468 4.373957  589.0266 3.849851  -70.57971      5.826908  
1 1 1 6  1  4  f 240.3739 1.320596  579.1193       4.474337  524.7316       8.948673  633.5070       8.948673  229.0607 1.953341  251.6870 1.777738  -22.62630      2.641192  
1 1 1 6  1  5  o 134.0367 0.8379341 181.2321       1.567686  214.7872       3.135371  147.6769       3.135371  146.5538 1.069700  121.5195 1.290069  25.03429       1.675868  
1 1 1 6  1  6  o 286.2140 1.560510  819.5231       6.313628  847.7606       12.62726  791.2856       12.62726  291.1469 2.168536  281.2811 2.244597  9.865875       3.121020  
1 1 1 6  1  7  o 976.2806 5.032822  9541.249       69.47373  9329.207       138.9475  9753.292       138.9475  965.4210 7.196211  987.1403 7.037878  -21.71930      10.06564  
1 1 1 6  1  8  o 190.9919 1.123973  365.2183       3.030541  390.2251       6.061082  340.2116       6.061082  197.5385 1.534153  184.4454 1.643056  13.09306       2.247945  
1 1 1 6  1  9  o 263.3302 1.501325  701.9371       5.489282  548.6519       10.97856  855.2225       10.97856  234.2250 2.343594  292.4353 1.877093  -58.21034      3.002650  
1 1 1 6  1  10 f 739.1716 3.859790  5466.563       40.34528  5390.809       80.69054  5542.317       80.69054  734.0474 5.496276  744.2958 5.420596  -10.24847      7.719580  
1 1 1 6  1  11 o 422.5389 2.271052  1785.808       13.57072  1796.358       27.14145  1775.259       27.14145  423.7873 3.202250  421.2905 3.221228  2.496796       4.542104  
1 1 1 6  1  12 o 59.40510 1.543005  35.29914       1.296081  36.05200       2.592161  34.54626       2.592161  60.03877 2.158739  58.77142 2.205291  1.267349       3.086011  
1 1 1 6  1  13 o 150.8977 1.134734  227.7861       2.420621  220.5433       4.841242  235.0290       4.841242  148.4978 1.630072  153.2976 1.579034  -4.799805      2.269467  
1 1 1 6  1  14 o 157.1388 1.266828  247.1988       2.811351  262.1990       5.622702  232.1985       5.622702  161.9118 1.736348  152.3659 1.845131  9.545837       2.533656  
1 1 1 6  1  15 o 346.9440 2.067700  1205.255       10.13516  1267.205       20.27032  1143.305       20.27032  355.8720 2.847979  338.0161 2.998425  17.85587       4.135400  
1 1 1 6  1  16 f 147.4679 1.450968  218.0084       3.016246  238.1929       6.032492  197.8238       6.032492  154.3116 1.954646  140.6242 2.144898  13.68741       2.901936  
1 1 1 6  1  17 o 70.43071 2.568825  50.40896       2.501626  38.26297       5.003252  62.55495       5.003252  61.80806 4.047411  79.05337 3.164478  -17.24531      5.137650  
1 1 1 6  1  18 o 378.3530 2.529146  1433.818       13.53261  1426.174       27.06521  1441.461       27.06521  377.3429 3.586288  379.3630 3.567191  -2.020081      5.058292  
1 1 1 6  1  19 o 82.69091 3.347915  69.24500       3.864417  81.98662       7.728833  56.50339       7.728833  90.39527 4.275021  74.98655 5.153480  15.40872       6.695831  
1 1 1 6  1  20 o 42.26542 5.942537  19.54127       3.540397  31.11546       7.080793  7.967083       7.080793  55.46092 6.383588  29.06991 10.02521  26.39101       11.88507  
1 1 1 6  1  21 f 55.22114 6.911195  32.04464       5.270092  29.52395       10.54018  34.56533       10.54018  52.50092 10.40813  57.94136 9.095561  -5.440445      13.82239  
1 1 1 6  1  22 o 61.36296 8.982613  41.99872       7.681183  29.93374       15.36237  54.06371       15.36237  51.24144 14.39754  71.48449 10.74524  -20.24305      17.96523  
1 1 1 6  1  23 o 31.88532 9.156945  2.749406       7.023612  14.28548       14.04722  -8.786663      14.04722  38.23974 14.02581  25.53091 11.77605  12.70884       18.31389  
1 1 1 6  1  24 o 116.2864 7.622303  148.8873       12.29370  118.1244       24.58741  179.6501       24.58741  103.0592 11.92878  129.5136 9.492214  -26.45440      15.24461  
1 1 1 6  2  0  o 63.88312 0.9178737 40.83606       1.172190  40.83606       1.172190  40.83606       1.172190  63.88312 0.9178737 63.88312 0.9178737 0.000000       0.000000  
1 1 1 6  2  1  o 682.3615 3.866300  4658.356       37.30996  4663.622       74.61993  4653.091       74.61993  682.7474 5.464681  681.9756 5.470865  0.7717285      7.732600  
1 1 1 6  2  2  o 533.4976 2.911157  2847.150       21.96189  2800.792       43.92379  2893.510       43.92379  529.1528 4.150388  537.8423 4.083333  -8.689575      5.822313  
1 1 1 6  2  3  o 604.2197 3.137641  3652.760       26.80313  3550.603       53.60627  3754.917       53.60627  595.7661 4.498936  612.6733 4.374784  -16.90723      6.275282  
1 1 1 6  2  4  o 427.2409 2.251239  1827.726       13.58025  1947.513       27.16051  1707.939       27.16051  441.2596 3.077611  413.2222 3.286429  28.03738       4.502478  
1 1 1 6  2  5  o 176.3360 1.006983  310.9640       2.511156  309.3058       5.022312  312.6222       5.022312  175.8658 1.427882  176.8062 1.420287  -0.9403839     2.013967  
1 1 1 6  2  6  o 170.1927 1.011883  290.0933       2.430151  312.2506       4.860302  267.9361       4.860302  176.7022 1.375280  163.6833 1.484666  13.01891       2.023767  
1 1 1 6  2  7  o 582.8091 3.044241  3398.104       25.08773  3333.510       50.17547  3462.698       50.17547  577.2675 4.345946  588.3508 4.264078  -11.08325      6.088481  
1 1 1 6  2  8  o 618.7784 3.224138  3829.818       28.21358  3852.542       56.42715  3807.094       56.42715  620.6147 4.546070  616.9423 4.573131  3.672424       6.448277  
1 1 1 6  2  9  o 392.7788 2.111391  1544.733       11.70761  1650.349       23.41522  1439.116       23.41522  406.2235 2.882061  379.3340 3.086359  26.88953       4.222782  
1 1 1 6  2  10 o 153.5477 1.015882  236.1011       2.201431  218.6088       4.402862  253.5934       4.402862  147.8517 1.488946  159.2438 1.382428  -11.39211      2.031765  
1 1 1 6  2  11 o 368.1192 2.070719  1356.315       10.76890  1427.776       21.53781  1284.854       21.53781  377.8254 2.850233  358.4130 3.004608  19.41241       4.141437  
1 1 1 6  2  12 o 187.1461 1.231614  350.2992       3.259262  356.5175       6.518523  344.0808       6.518523  188.8075 1.726236  185.4848 1.757159  3.322708       2.463229  
1 1 1 6  2  13 o 413.5389 2.275683  1710.998       13.30865  1723.768       26.61730  1698.228       26.61730  415.0829 3.206263  411.9949 3.230295  3.088074       4.551365  
1 1 1 6  2  14 o 164.5298 1.253355  270.7570       2.916181  273.7017       5.832363  267.8122       5.832363  165.4247 1.762845  163.6349 1.782127  1.789795       2.506711  
1 1 1 6  2  15 o 42.42204 2.916641  18.02600       1.748756  17.30649       3.497512  18.74552       3.497512  41.57399 4.206370  43.27008 4.041490  -1.696091      5.833283  
1 1 1 6  2  16 o 93.85158 1.827683  88.13824       2.425386  90.04901       4.850772  86.22747       4.850772  94.86955 2.556549  92.83361 2.612617  2.035942       3.655367  
1 1 1 6  2  17 o 188.8889 1.551892  356.9558       4.145552  356.2220       8.291104  357.6897       8.291104  188.6947 2.196963  189.0832 2.192449  -0.3884888     3.103784  
1 1 1 6  2  18 o 69.03415 2.967724  47.81680       2.892356  51.05223       5.784712  44.58136       5.784712  71.37751 4.052196  66.69079 4.336965  4.686722       5.935449  
1 1 1 6  2  19 o 154.7088 1.899123  239.8511       4.150317  253.1360       8.300633  226.5663       8.300633  159.0023 2.610225  150.4153 2.759239  8.586990       3.798246  
1 1 1 6  2  20 o 126.6480 2.220538  161.7003       3.945422  138.2708       7.890843  185.1298       7.890843  117.3982 3.360719  135.8979 2.903226  -18.49970      4.441076  
1 1 1 6  2  21 o 105.4318 3.415640  112.1443       5.089022  117.1047       10.17804  107.1839       10.17804  107.7842 4.721491  103.0794 4.936993  4.704819       6.831280  
1 1 1 6  2  22 o 47.99074 7.601228  25.23069       5.031842  25.66430       10.06368  24.79707       10.06368  48.42812 10.67741  47.55336 10.82163  0.8747597      15.20246  
1 1 1 6  2  23 o 60.61188 8.880147  41.33639       7.509643  54.30196       15.01929  28.37082       15.01929  71.52332 10.49957  49.70045 14.32435  21.82287       17.76029  
1 1 1 6  2  24 o 95.35449 5.719386  95.80990       7.681183  86.31325       15.36237  105.3065       15.36237  90.37483 8.499250  100.3341 7.655602  -9.959312      11.43877  
1 1 1 6  3  0  o 221.7494 2.439577  491.9293       10.81655  491.9293       10.81655  491.9293       10.81655  221.7494 2.439577  221.7494 2.439577  0.000000       0.000000  
1 1 1 6  3  1  o 87.48247 0.5553972 77.31693       0.6766303 92.81271       1.353261  61.82113       1.353261  96.33898 0.7023432 78.62596 0.8605685 17.71302       1.110794  
1 1 1 6  3  2  o 1002.538 5.199220  10059.54       73.71458  10039.86       147.4292  10079.22       147.4292  1001.556 7.360003  1003.519 7.345606  -1.962952      10.39844  
1 1 1 6  3  3  o 432.4594 2.265305  1870.778       13.85186  1829.599       27.70372  1911.957       27.70372  427.6984 3.238699  437.2204 3.168164  -9.522064      4.530611  
1 1 1 6  3  4  o 348.4843 1.884164  1222.009       9.201219  1032.462       18.40244  1411.556       18.40244  321.2884 2.863851  375.6802 2.449216  -54.39185      3.768329  
1 1 1 6  3  5  o 209.8332 1.210684  443.8456       3.549927  365.2183       7.099854  522.4729       7.099854  191.0976 1.857651  228.5689 1.553110  -37.47133      2.421367  
1 1 1 6  3  6  o 225.9157 1.275240  511.2323       4.064547  552.0350       8.129093  470.4295       8.129093  234.9462 1.729990  216.8852 1.874055  18.06105       2.550480  
1 1 1 6  3  7  o 428.2602 2.289092  1837.990       13.82327  2000.252       27.64654  1675.727       27.64654  447.2046 3.091040  409.3158 3.377165  37.88876       4.578185  
1 1 1 6  3  8  o 276.3000 1.519447  763.4581       5.937192  764.5446       11.87438  762.3717       11.87438  276.4967 2.147293  276.1035 2.150351  0.3932190      3.038893  
1 1 1 6  3  9  o 571.3335 2.998288  3265.003       24.22527  3289.710       48.45053  3240.296       48.45053  573.4957 4.224142  569.1713 4.256236  4.324402       5.996575  
1 1 1 6  3  10 o 271.6719 1.575011  738.4752       6.046787  771.1203       12.09357  705.8302       12.09357  277.6801 2.177609  265.6637 2.276106  12.01636       3.150022  
1 1 1 6  3  11 o 126.1651 1.042830  161.2334       1.824996  125.1099       3.649991  197.3568       3.649991  111.8492 1.631657  140.4811 1.299104  -28.63189      2.085660  
1 1 1 6  3  12 o 409.2756 2.228586  1675.641       12.89886  1688.021       25.79772  1663.262       25.79772  410.7880 3.140028  407.7633 3.163321  3.024750       4.457171  
1 1 1 6  3  13 o 95.49863 1.319458  91.37367       1.777346  83.75921       3.554691  98.98814       3.554691  91.51194 1.942201  99.48531 1.786541  -7.973373      2.638915  
1 1 1 6  3  14 o 488.4603 2.673410  2388.162       18.46438  2439.348       36.92877  2336.976       36.92877  493.6998 3.740003  483.2207 3.821107  10.47903       5.346820  
1 1 1 6  3  15 o 78.97185 1.711344  62.50729       1.906001  57.15144       3.812001  67.86316       3.812001  75.58085 2.521804  82.36284 2.314151  -6.781990      3.422688  
1 1 1 6  3  16 o 57.90453 2.496515  33.56467       2.044186  33.03099       4.088372  34.09835       4.088372  57.44371 3.558590  58.36536 3.502396  -0.9216537     4.993029  
1 1 1 6  3  17 o 149.8786 1.578674  225.6467       3.325971  197.1186       6.651943  254.1747       6.651943  140.3615 2.369575  159.3956 2.086614  -19.03412      3.157347  
1 1 1 6  3  18 o 296.2681 2.249076  879.0380       9.420408  853.8217       18.84082  904.2543       18.84082  292.0125 3.226030  300.5238 3.134663  -8.511383      4.498153  
1 1 1 6  3  19 o 162.2948 2.099660  263.8953       4.817417  272.0054       9.634833  255.7853       9.634833  164.7934 2.923308  159.7962 3.014724  4.997101       4.199320  
1 1 1 6  3  20 o 123.7856 3.807114  156.6590       6.523287  120.0590       13.04657  193.2589       13.04657  109.0020 5.984558  138.5692 4.707602  -29.56722      7.614227  
1 1 1 6  3  21 o 50.79455 7.976331  27.85143       5.775182  18.69787       11.55036  37.00500       11.55036  41.75837 12.70102  59.83074 9.652534  -18.07237      15.95266  
1 1 1 6  3  22 o 118.5537 9.877718  154.4623       16.52979  164.4307       33.05959  144.4939       33.05959  122.7579 13.46536  114.3495 14.45549  8.408333       19.75544  
1 1 1 6  3  23 o 82.37805 10.23047  77.70288       11.41694  96.72954       22.83389  58.67624       22.83389  94.53307 12.07720  70.22303 16.51640  24.31004       20.46094  
1 1 1 6  3  24 o 108.4653 6.919972  126.5346       10.60213  119.9065       21.20426  133.1628       21.20426  105.4099 10.05800  111.5207 9.506871  -6.110825      13.83994  
1 1 1 6  4  0  f 754.7306 7.805376  5700.743       117.7908  5700.743       117.7908  5700.743       117.7908  754.7306 7.805376  754.7306 7.805376  0.000000       0.000000  
1 1 1 6  4  1  f 435.0742 2.344133  1903.213       14.30930  2178.282       28.61860  1628.144       28.61860  466.6860 3.066152  403.4625 3.546625  63.22351       4.688266  
1 1 1 6  4  2  o 445.6122 2.330324  1986.462       14.68097  2043.338       29.36194  1929.588       29.36194  451.9939 3.248046  439.2306 3.342429  12.76331       4.660648  
1 1 1 6  4  3  o 40.47639 0.6720380 17.76393       0.3383151 8.252983       0.6766303 27.27487       0.6766303 28.72763 1.177665  52.22514 0.6478013 -23.49751      1.344076  
1 1 1 6  4  4  o 578.8303 3.020623  3352.064       24.72560  3385.210       49.45119  3318.919       49.45119  581.6934 4.250624  575.9672 4.292883  5.726196       6.041245  
1 1 1 6  4  5  o 311.3670 1.681108  972.7847       7.366693  1083.123       14.73339  862.4463       14.73339  329.0854 2.238535  293.6487 2.508676  35.43677       3.362216  
1 1 1 6  4  6  o 310.9778 1.684660  967.9673       7.400048  913.2221       14.80010  1022.712       14.80010  302.1757 2.448922  319.7799 2.314107  -17.60416      3.369319  
1 1 1 6  4  7  o 243.6528 1.362425  594.1958       4.688762  559.9926       9.377523  628.3989       9.377523  236.6339 1.981441  250.6716 1.870480  -14.03769      2.724849  
1 1 1 6  4  8  o 449.5003 2.385465  2020.942       15.16224  2058.004       30.32448  1983.880       30.32448  453.6229 3.342476  445.3777 3.404355  8.245178       4.770931  
1 1 1 6  4  9  o 107.4561 0.9239039 116.1660       1.391381  134.0872       2.782761  98.24481       2.782761  115.7950 1.201590  99.11729 1.403772  16.67767       1.847808  
1 1 1 6  4  10 o 692.3508 3.620995  4796.170       35.44685  4909.744       70.89370  4682.596       70.89370  700.5529 5.059839  684.1488 5.181161  16.40405       7.241989  
1 1 1 6  4  11 o 401.9550 2.182487  1616.708       12.39854  1682.951       24.79707  1550.465       24.79707  410.1951 3.022595  393.7149 3.149115  16.48019       4.364975  
1 1 1 6  4  12 o 174.6582 1.329400  308.9913       3.221142  377.9885       6.442283  239.9941       6.442283  194.4103 1.656878  154.9061 2.079415  39.50417       2.658799  
1 1 1 6  4  13 o 267.7649 1.583063  717.1757       5.994372  708.6511       11.98874  725.7003       11.98874  266.1731 2.252058  269.3567 2.225441  -3.183594      3.166126  
1 1 1 6  4  14 o 293.0930 1.728992  859.3347       7.166563  855.8611       14.33313  862.8084       14.33313  292.5005 2.450103  293.6856 2.440216  -1.185150      3.457985  
1 1 1 6  4  15 o 256.8019 1.634815  659.7336       5.937192  661.1440       11.87438  658.3231       11.87438  257.0765 2.309504  256.5273 2.314448  0.5491943      3.269630  
1 1 1 6  4  16 o 241.8062 1.662715  585.6998       5.675117  627.3220       11.35023  544.0775       11.35023  250.4127 2.266305  233.1997 2.433587  17.21307       3.325430  
1 1 1 6  4  17 f 135.9224 1.585894  184.9821       3.044836  174.5801       6.089673  195.3841       6.089673  132.0960 2.305018  139.7489 2.178791  -7.652893      3.171788  
1 1 1 6  4  18 o 72.06708 2.970861  52.51032       2.987656  62.30716       5.975312  42.71348       5.975312  78.86411 3.788360  65.27005 4.577377  13.59406       5.941721  
1 1 1 6  4  19 o 172.2216 2.026907  297.0788       4.936542  294.3723       9.873084  299.7853       9.873084  171.4359 2.879527  173.0074 2.853371  -1.571533      4.053813  
1 1 1 6  4  20 o 257.1552 2.584202  663.9888       9.396584  677.3736       18.79317  650.6038       18.79317  259.7577 3.617442  254.5527 3.691410  5.204971       5.168404  
1 1 1 6  4  21 o 198.2725 2.360043  394.8709       6.613823  379.6277       13.22765  410.1142       13.22765  194.4285 3.401673  202.1165 3.272282  -7.688019      4.720086  
1 1 1 6  4  22 o 39.08791 9.899599  15.23371       6.961668  16.00088       13.92334  14.46655       13.92334  39.66356 14.02068  38.51226 13.97959  1.151299       19.79920  
1 1 1 6  4  23 o 25.31900 8.225795  -8.367344      6.823483  -12.60820      13.64697  -4.126492      13.64697  23.66329 11.12629  26.97471 12.11860  -3.311417      16.45159  
1 1 1 6  4  24 o 53.92332 10.77883  35.53262       8.972499  23.62488       17.94500  47.44036       17.94500  44.93610 15.91397  62.91054 14.54229  -17.97444      21.55766  
1 1 1 6  5  0  o 232.9494 2.598522  542.8862       12.10310  542.8862       12.10310  542.8862       12.10310  232.9494 2.598522  232.9494 2.598522  -0.000000      0.000000  
1 1 1 6  5  1  o 519.7358 2.755946  2701.975       20.25602  2676.788       40.51205  2727.163       40.51205  517.3127 3.915624  522.1590 3.879283  -4.846252      5.511891  
1 1 1 6  5  2  o 725.4532 3.755577  5265.394       38.52980  5238.462       77.05961  5292.326       77.05961  723.5970 5.324760  727.3094 5.297581  -3.712402      7.511155  
1 1 1 6  5  3  f 426.1784 2.251704  1817.972       13.55643  1915.778       27.11286  1720.166       27.11286  437.6532 3.097528  414.7036 3.268945  22.94962       4.503407  
1 1 1 6  5  4  o 687.7397 3.576848  4733.930       34.77975  4858.568       69.55950  4609.292       69.55950  696.8011 4.991345  678.6783 5.124630  18.12280       7.153696  
1 1 1 6  5  5  o 246.9899 1.372941  613.5178       4.755473  704.8296       9.510944  522.2061       9.510944  265.4748 1.791308  228.5049 2.081124  36.96982       2.745881  
1 1 1 6  5  6  o 739.4692 3.848741  5472.752       40.23567  5634.453       80.47136  5311.052       80.47136  750.4028 5.361877  728.5357 5.522815  21.86707       7.697481  
1 1 1 6  5  7  o 173.0856 1.037149  300.6431       2.525451  265.2200       5.050902  336.0660       5.050902  162.8528 1.550757  183.3184 1.377631  -20.46562      2.074299  
1 1 1 6  5  8  o 371.6138 1.992911  1381.107       10.47347  1374.379       20.94695  1387.835       20.94695  370.7085 2.825259  372.5190 2.811527  -1.810547      3.985822  
1 1 1 6  5  9  f 133.0639 0.9648349 179.5739       1.777346  137.4131       3.554691  221.7346       3.554691  117.2216 1.516227  148.9062 1.193601  -31.68457      1.929670  
1 1 1 6  5  10 o 525.8974 2.782555  2768.094       20.67534  2629.833       41.35069  2906.356       41.35069  512.7521 4.032230  539.0427 3.835567  -26.29053      5.565111  
1 1 1 6  5  11 o 177.6361 1.202169  316.4962       3.006716  350.7422       6.013433  282.2501       6.013433  187.2755 1.605504  167.9967 1.789747  19.27876       2.404337  
1 1 1 6  5  12 o 294.9271 1.698185  870.1703       7.080793  845.3399       14.16159  895.0008       14.16159  290.7175 2.435627  299.1367 2.367076  -8.419189      3.396369  
1 1 1 6  5  13 o 272.1773 1.614486  741.0579       6.213562  755.3386       12.42712  726.7772       12.42712  274.8008 2.261115  269.5539 2.305128  5.246826       3.228971  
1 1 1 6  5  14 o 92.01358 1.399850  85.02193       1.810701  95.71936       3.621402  74.32450       3.621402  97.82655 1.850930  86.20062 2.100566  11.62592       2.799700  
1 1 1 6  5  15 o 262.9619 1.682657  692.2119       6.251682  726.7581       12.50336  657.6656       12.50336  269.5305 2.319471  256.3932 2.438318  13.13736       3.365314  
1 1 1 6  5  16 o 254.4098 1.663552  648.2500       5.975312  691.4209       11.95062  605.0790       11.95062  262.8943 2.272895  245.9253 2.429727  16.96904       3.327105  
1 1 1 6  5  17 o 368.4912 2.305075  1361.323       11.98398  1253.558       23.96796  1469.088       23.96796  353.8687 3.386561  383.1137 3.128047  -29.24500      4.610149  
1 1 1 6  5  18 o 133.6020 2.002932  178.7066       3.783412  183.3573       7.566823  174.0560       7.566823  135.3425 2.795436  131.8615 2.869231  3.480957       4.005865  
1 1 1 6  5  19 o 108.3557 2.584146  117.7241       3.959717  116.4376       7.919433  119.0107       7.919433  107.7620 3.674501  108.9493 3.634457  -1.187340      5.168291  
1 1 1 6  5  20 o 50.36809 6.621479  27.41306       4.507692  16.53456       9.015384  38.29155       9.015384  39.35506 11.02020  61.38112 7.343775  -22.02606      13.24296  
1 1 1 6  5  21 o 97.31607 3.968456  95.82418       5.460692  97.83501       10.92138  93.81336       10.92138  98.34921 5.552350  96.28292 5.671507  2.066292       7.936913  
1 1 1 6  5  22 o 46.99229 9.015018  23.56293       7.047437  6.165912       14.09487  40.95996       14.09487  32.99093 13.47328  60.99365 11.98136  -28.00272      18.03004  
1 1 1 6  5  23 f 32.14445 9.163937  -1.886941      7.652593  -22.30021      15.30519  18.52633       15.30519  22.60006 10.94133  41.68886 14.70368  -19.08880      18.32787  
1 1 1 6  5  24 o 45.26931 7.779281  22.02860       6.046787  41.31257       12.09357  2.744641       12.09357  62.01545 9.750453  28.52316 12.12425  33.49229       15.55856  
1 1 1 6  5  25 o 63.70782 9.705432  49.90863       8.505528  55.18825       17.01106  44.62901       17.01106  67.81087 13.00700  59.60477 14.40832  8.206093       19.41086  
1 1 1 6  6  0  o 79.29298 1.822978  62.97426       2.887591  62.97426       2.887591  62.97426       2.887591  79.29298 1.822978  79.29298 1.822978  0.000000       0.000000  
1 1 1 6  6  1  o 131.6306 1.640422  173.3508       4.317091  173.3508       4.317091  173.3508       4.317091  131.6306 1.640422  131.6306 1.640422  0.000000       0.000000  
1 1 1 6  6  2  o 276.9324 3.173790  767.2892       17.57333  767.2892       17.57333  767.2892       17.57333  276.9324 3.173790  276.9324 3.173790  -0.000000      0.000000  
1 1 1 6  6  3  o 272.5900 2.991717  743.3975       16.30584  743.3975       16.30584  743.3975       16.30584  272.5900 2.991717  272.5900 2.991717  0.000000       0.000000  
1 1 1 6  6  4  o 492.6955 5.195748  2429.217       51.18565  2429.217       51.18565  2429.217       51.18565  492.6955 5.195748  492.6955 5.195748  0.000000       0.000000  
1 1 1 6  6  5  o 1198.499 12.33589  14396.50       295.6207  14396.50       295.6207  14396.50       295.6207  1198.499 12.33589  1198.499 12.33589  -0.000000      0.000000  
1 1 1 6  6  6  o 690.9526 7.187669  4778.182       99.30264  4778.182       99.30264  4778.182       99.30264  690.9526 7.187669  690.9526 7.187669  0.000000       0.000000  
1 1 1 6  6  7  o 1008.544 10.38249  10182.43       209.3742  10182.43       209.3742  10182.43       209.3742  1008.544 10.38249  1008.544 10.38249  -0.000000      0.000000  
1 1 1 6  6  8  o 64.17572 1.807425  41.28398       2.315791  41.28398       2.315791  41.28398       2.315791  64.17572 1.807425  64.17572 1.807425  0.000000       0.000000  
1 1 1 6  6  9  o 666.6291 6.979503  4446.805       93.03190  4446.805       93.03190  4446.805       93.03190  666.6291 6.979503  666.6291 6.979503  -0.000000      0.000000  
1 1 1 6  6  10 o 306.3226 3.515026  938.8007       21.52828  938.8007       21.52828  938.8007       21.52828  306.3226 3.515026  306.3226 3.515026  -0.000000      0.000000  
1 1 1 6  6  11 o 68.78259 2.599014  47.51660       3.564222  47.51660       3.564222  47.51660       3.564222  68.78259 2.599014  68.78259 2.599014  -0.000000      0.000000  
1 1 1 6  6  12 o 371.3900 4.096512  1380.221       30.41978  1380.221       30.41978  1380.221       30.41978  371.3900 4.096512  371.3900 4.096512  -0.000000      0.000000  
1 1 1 6  6  13 o 52.35486 4.024254  27.90385       4.164612  27.90385       4.164612  27.90385       4.164612  52.35486 4.024254  52.35486 4.024254  0.000000       0.000000  
1 1 1 6  6  14 o 110.5023 2.612079  122.3366       5.765652  122.3366       5.765652  122.3366       5.765652  110.5023 2.612079  110.5023 2.612079  -0.000000      0.000000  
1 1 1 6  6  15 o 44.54616 6.143003  20.42280       5.365392  20.42280       5.365392  20.42280       5.365392  44.54616 6.143003  44.54616 6.143003  0.000000       0.000000  
1 1 1 6  6  16 o 153.1494 2.967594  234.8956       9.082094  234.8956       9.082094  234.8956       9.082094  153.1494 2.967594  153.1494 2.967594  0.000000       0.000000  
1 1 1 6  6  17 o 209.7489 3.332289  440.5053       13.97099  440.5053       13.97099  440.5053       13.97099  209.7489 3.332289  209.7489 3.332289  -0.000000      0.000000  
1 1 1 6  6  18 o 28.26751 13.58404  11.91251       8.805723  11.91251       8.805723  11.91251       8.805723  28.26751 13.58404  28.26751 13.58404  -0.000000      0.000000  
1 1 1 6  6  19 o 130.6579 4.126436  171.5210       10.75937  171.5210       10.75937  171.5210       10.75937  130.6579 4.126436  130.6579 4.126436  -0.000000      0.000000  
1 1 1 6  6  20 o 119.4971 6.553092  144.9990       15.56250  144.9990       15.56250  144.9990       15.56250  119.4971 6.553092  119.4971 6.553092  -0.000000      0.000000  
1 1 1 6  6  21 o 169.2593 6.078266  289.5787       20.51810  289.5787       20.51810  289.5787       20.51810  169.2593 6.078266  169.2593 6.078266  0.000000       0.000000  
1 1 1 6  6  22 o 73.98106 15.94945  64.38470       20.68964  64.38470       20.68964  64.38470       20.68964  73.98106 15.94945  73.98106 15.94945  0.000000       0.000000  
1 1 1 6  6  23 o 14.74363 10.73265  -27.45594      16.06759  -27.45594      16.06759  -27.45594      16.06759  14.74363 10.73265  14.74363 10.73265  0.000000       0.000000  
1 1 1 6  6  24 o 56.47009 23.74159  52.25301       26.82696  52.25301       26.82696  52.25301       26.82696  56.47009 23.74159  56.47009 23.74159  0.000000       0.000000  
1 1 1 7  0  1  o 199.5901 2.347536  398.5448       9.367994  398.5448       9.367994  398.5448       9.367994  199.5901 2.347536  199.5901 2.347536  -0.000000      0.000000  
1 1 1 7  0  2  o 423.8642 4.755506  1797.616       40.30238  1797.616       40.30238  1797.616       40.30238  423.8642 4.755506  423.8642 4.755506  0.000000       0.000000  
1 1 1 7  0  3  o 25.66041 1.269335  6.632883       0.6480404 6.632883       0.6480404 6.632883       0.6480404 25.66041 1.269335  25.66041 1.269335  -0.000000      0.000000  
1 1 1 7  0  4  o 229.9080 2.529220  528.8104       11.62661  528.8104       11.62661  528.8104       11.62661  229.9080 2.529220  229.9080 2.529220  -0.000000      0.000000  
1 1 1 7  0  5  o 89.89169 1.352396  80.86208       2.430151  80.86208       2.430151  80.86208       2.430151  89.89169 1.352396  89.89169 1.352396  0.000000       0.000000  
1 1 1 7  0  6  o 368.9460 3.940136  1361.914       29.06651  1361.914       29.06651  1361.914       29.06651  368.9460 3.940136  368.9460 3.940136  0.000000       0.000000  
1 1 1 7  0  7  o 132.6608 1.667218  176.0764       4.421922  176.0764       4.421922  176.0764       4.421922  132.6608 1.667218  132.6608 1.667218  -0.000000      0.000000  
1 1 1 7  0  8  o 223.7463 2.562718  500.8398       11.46459  500.8398       11.46459  500.8398       11.46459  223.7463 2.562718  223.7463 2.562718  0.000000       0.000000  
1 1 1 7  0  9  o 11.43213 6.429552  1.772581       2.201431  1.772581       2.201431  1.772581       2.201431  11.43213 6.429552  11.43213 6.429552  -0.000000      0.000000  
1 1 1 7  0  10 o 781.2539 8.121798  6108.751       126.8729  6108.751       126.8729  6108.751       126.8729  781.2539 8.121798  781.2539 8.121798  -0.000000      0.000000  
1 1 1 7  0  11 o 259.8040 3.302533  675.3914       17.15401  675.3914       17.15401  675.3914       17.15401  259.8040 3.302533  259.8040 3.302533  0.000000       0.000000  
1 1 1 7  0  12 o 247.3996 2.914999  612.4076       14.41890  612.4076       14.41890  612.4076       14.41890  247.3996 2.914999  247.3996 2.914999  -0.000000      0.000000  
1 1 1 7  0  13 o 187.5316 2.567393  351.9335       9.625304  351.9335       9.625304  351.9335       9.625304  187.5316 2.567393  187.5316 2.567393  -0.000000      0.000000  
1 1 1 7  0  14 o 95.87668 2.773371  92.17419       5.308212  92.17419       5.308212  92.17419       5.308212  95.87668 2.773371  95.87668 2.773371  0.000000       0.000000  
1 1 1 7  0  15 o 126.7170 2.672496  160.8284       6.766303  160.8284       6.766303  160.8284       6.766303  126.7170 2.672496  126.7170 2.672496  0.000000       0.000000  
1 1 1 7  0  16 o 69.67612 4.476276  49.18435       6.184973  49.18435       6.184973  49.18435       6.184973  69.67612 4.476276  69.67612 4.476276  0.000000       0.000000  
1 1 1 7  0  17 f 113.5637 3.304139  129.3603       7.490582  129.3603       7.490582  129.3603       7.490582  113.5637 3.304139  113.5637 3.304139  0.000000       0.000000  
1 1 1 7  0  18 o 121.1170 3.701843  147.2290       8.948673  147.2290       8.948673  147.2290       8.948673  121.1170 3.701843  121.1170 3.701843  0.000000       0.000000  
1 1 1 7  0  19 o 47.19536 12.03611  26.40764       9.806375  26.40764       9.806375  26.40764       9.806375  47.19536 12.03611  47.19536 12.03611  -0.000000      0.000000  
1 1 1 7  0  20 o 174.7262 4.662550  306.9233       16.26772  306.9233       16.26772  306.9233       16.26772  174.7262 4.662550  174.7262 4.662550  -0.000000      0.000000  
1 1 1 7  0  21 o 66.07882 17.25287  53.39661       19.66040  53.39661       19.66040  53.39661       19.66040  66.07882 17.25287  66.07882 17.25287  0.000000       0.000000  
1 1 1 7  0  22 o 49.48325 20.41737  36.87159       19.93677  36.87159       19.93677  36.87159       19.93677  49.48325 20.41737  49.48325 20.41737  0.000000       0.000000  
1 1 1 7  0  23 o 80.51827 15.99944  75.60152       22.91966  75.60152       22.91966  75.60152       22.91966  80.51827 15.99944  80.51827 15.99944  -0.000000      0.000000  
1 1 1 7  0  24 o 32.25060 19.95211  14.36172       24.80660  14.36172       24.80660  14.36172       24.80660  32.25060 19.95211  32.25060 19.95211  0.000000       0.000000  
1 1 1 7  1  0  o 134.5489 1.537447  181.1082       4.136022  181.1082       4.136022  181.1082       4.136022  134.5489 1.537447  134.5489 1.537447  0.000000       0.000000  
1 1 1 7  1  1  o 322.4556 1.909110  1039.919       8.705659  1049.663       17.41132  1030.174       17.41132  323.9666 2.687209  320.9446 2.712511  3.021973       3.818220  
1 1 1 7  1  2  o 378.6396 2.067211  1433.908       11.06910  1446.969       22.13820  1420.847       22.13820  380.3643 2.910131  376.9149 2.936764  3.449432       4.134422  
1 1 1 7  1  3  o 52.50260 0.4945352 27.57983       0.3669052 28.83779       0.7338103 26.32187       0.7338103 53.70060 0.6832422 51.30460 0.7151506 2.396000       0.9890704 
1 1 1 7  1  4  o 631.7970 3.286796  3996.454       29.33812  3790.625       58.67624  4202.284       58.67624  615.5078 4.766490  648.0862 4.526886  -32.57837      6.573593  
1 1 1 7  1  5  f 321.2360 1.735335  1036.045       7.838428  908.4000       15.67686  1163.690       15.67686  301.3682 2.600947  341.1038 2.297960  -39.73557      3.470670  
1 1 1 7  1  6  o 281.1394 1.526412  791.1523       6.061082  837.4205       12.12216  744.8842       12.12216  289.3681 2.094593  272.9107 2.220903  16.45737       3.052823  
1 1 1 7  1  7  o 606.4817 3.173499  3679.987       27.21292  3769.193       54.42585  3590.781       54.42585  613.8360 4.433257  599.1273 4.542094  14.70868       6.346998  
1 1 1 7  1  8  o 915.3630 4.726745  8384.206       61.17786  8565.501       122.3557  8202.912       122.3557  925.2658 6.611923  905.4601 6.756549  19.80566       9.453490  
1 1 1 7  1  9  o 324.0833 1.792076  1050.673       8.210099  1085.553       16.42020  1015.794       16.42020  329.4645 2.491952  318.7019 2.576106  10.76260       3.584152  
1 1 1 7  1  10 o 840.9965 4.367824  7077.958       51.93852  6916.677       103.8770  7239.238       103.8770  831.4078 6.247058  850.5851 6.106211  -19.17737      8.735647  
1 1 1 7  1  11 o 717.0054 3.752104  5146.192       38.02472  5346.084       76.04943  4946.301       76.04943  730.9447 5.202133  703.0660 5.408413  27.87866       7.504207  
1 1 1 7  1  12 o 389.0469 2.138424  1514.103       11.76479  1494.714       23.52958  1533.492       23.52958  386.5551 3.043496  391.5388 3.004757  -4.983673      4.276849  
1 1 1 7  1  13 o 265.5934 1.564651  707.2216       5.856187  775.6851       11.71237  638.7581       11.71237  278.4822 2.102895  252.7046 2.317405  25.77760       3.129302  
1 1 1 7  1  14 o 443.7476 2.458441  1971.615       15.41478  2065.886       30.82956  1877.344       30.82956  454.3697 3.392564  433.1255 3.558965  21.24423       4.916881  
1 1 1 7  1  15 o 304.4952 1.835402  927.8888       7.900373  897.1451       15.80075  958.6326       15.80075  299.4469 2.638322  309.5435 2.552266  -10.09662      3.670804  
1 1 1 7  1  16 o 477.2031 2.728336  2279.982       18.41197  2302.506       36.82394  2257.458       36.82394  479.5631 3.839321  474.8430 3.877485  4.720062       5.456673  
1 1 1 7  1  17 o 67.55926 2.619925  46.30153       2.453976  56.78930       4.907952  35.81376       4.907952  75.32116 3.258017  59.79735 4.103821  15.52381       5.239849  
1 1 1 7  1  18 o 61.98020 3.255086  38.80618       2.820881  32.11611       5.641763  45.49624       5.641763  56.58326 4.985363  67.37714 4.186704  -10.79387      6.510172  
1 1 1 7  1  19 o 150.4625 2.092564  227.6480       4.426687  255.9283       8.853374  199.3677       8.853374  159.8603 2.769098  141.0647 3.138055  18.79558       4.185127  
1 1 1 7  1  20 o 153.2985 2.765009  236.0725       5.994372  237.4591       11.98874  234.6859       11.98874  153.7507 3.898761  152.8462 3.921833  0.9045105      5.530019  
1 1 1 7  1  21 o 77.71672 4.100417  61.17310       4.502927  58.32362       9.005854  64.02257       9.005854  75.88348 5.934002  79.54996 5.660501  -3.666489      8.200833  
1 1 1 7  1  22 o 61.87374 5.216763  39.40180       4.550577  42.89455       9.101154  35.90905       9.101154  64.69621 7.033761  59.05126 7.706147  5.644951       10.43353  
1 1 1 7  1  23 o 72.37564 6.080256  55.52657       6.037257  40.64547       12.07451  70.40767       12.07451  62.09518 9.722586  82.65611 7.304068  -20.56092      12.16051  
1 1 1 7  1  24 o 80.35115 7.909709  71.17484       8.896259  60.49646       17.79252  81.85320       17.79252  73.70634 12.06987  86.99596 10.22606  -13.28963      15.81942  
1 1 1 7  1  25 o 35.53299 14.65210  10.84515       16.82999  10.84515       16.82999  ?              ?         35.53299 14.65210  ?        ?         ?              ?         
1 1 1 7  2  0  o 28.06982 1.158608  7.919433       0.6480404 7.919433       0.6480404 7.919433       0.6480404 28.06982 1.158608  28.06982 1.158608  -0.000000      0.000000  
1 1 1 7  2  1  o 756.8596 4.090400  5731.511       43.78084  5780.824       87.56168  5682.198       87.56168  760.1173 5.759747  753.6019 5.809545  6.515442       8.180800  
1 1 1 7  2  2  o 86.06853 0.7579379 79.83760       0.8195803 121.1454       1.639161  38.52980       1.639161  110.0656 0.7446292 62.07149 1.320381  47.99408       1.515876  
1 1 1 7  2  3  o 424.4609 2.229013  1802.024       13.38013  1791.879       26.76025  1812.168       26.76025  423.2659 3.161163  425.6559 3.143413  -2.390015      4.458026  
1 1 1 7  2  4  o 133.2871 0.8326054 179.6024       1.543861  142.4545       3.087722  216.7504       3.087722  119.3518 1.293538  147.2224 1.048659  -27.87062      1.665211  
1 1 1 7  2  5  o 253.3284 1.395957  643.2753       4.984192  704.3625       9.968384  582.1880       9.968384  265.3853 1.878096  241.2714 2.065803  24.11389       2.791915  
1 1 1 7  2  6  o 259.0219 1.437416  670.9933       5.265327  675.8774       10.53065  666.1091       10.53065  259.9648 2.025401  258.0791 2.040199  1.885620       2.874832  
1 1 1 7  2  7  o 372.5099 1.996934  1389.818       10.49730  1495.172       20.99460  1284.463       20.99460  386.6511 2.714928  358.3688 2.929189  28.28223       3.993868  
1 1 1 7  2  8  o 453.3401 2.432150  2056.041       15.58632  2125.458       31.17264  1986.625       31.17264  460.9962 3.381009  445.6839 3.497169  15.31226       4.864300  
1 1 1 7  2  9  o 1061.481 5.485887  11277.04       82.33923  11048.23       164.6785  11505.86       164.6785  1050.703 7.836587  1072.259 7.679043  -21.55627      10.97177  
1 1 1 7  2  10 o 335.9908 1.835102  1129.410       8.715188  1087.383       17.43038  1171.438       17.43038  329.7365 2.643076  342.2450 2.546476  -12.50848      3.670204  
1 1 1 7  2  11 o 178.5191 1.308005  319.9508       3.283086  359.6338       6.566173  280.2679       6.566173  189.6336 1.731279  167.4047 1.961168  22.22896       2.616009  
1 1 1 7  2  12 o 587.3707 3.120358  3453.850       25.90255  3599.244       51.80510  3308.455       51.80510  599.7475 4.318909  574.9940 4.504838  24.75348       6.240717  
1 1 1 7  2  13 o 443.7435 2.437875  1970.872       15.29089  2044.148       30.58178  1897.595       30.58178  452.0001 3.382940  435.4869 3.511218  16.51321       4.875750  
1 1 1 7  2  14 o 92.07753 1.453082  84.81705       1.891706  82.66325       3.783412  86.97081       3.783412  90.90799 2.080902  93.24707 2.028703  -2.339081      2.906164  
1 1 1 7  2  15 o 174.4448 1.334276  304.6266       3.287851  287.6536       6.575703  321.5995       6.575703  169.5800 1.938820  179.3097 1.833616  -9.729691      2.668553  
1 1 1 7  2  16 o 172.0208 1.489001  297.1074       3.602341  261.1507       7.204682  333.0641       7.204682  161.5696 2.229592  182.4721 1.974188  -20.90253      2.978002  
1 1 1 7  2  17 o 96.75443 1.999558  93.81336       2.730346  86.84692       5.460692  100.7798       5.460692  93.15437 2.930991  100.3545 2.720702  -7.200119      3.999116  
1 1 1 7  2  18 o 123.2192 1.801864  152.0989       3.135371  142.6832       6.270743  161.5145       6.270743  119.3985 2.625971  127.0399 2.468021  -7.641373      3.603728  
1 1 1 7  2  19 o 152.3035 2.247888  232.4320       4.841242  236.1916       9.682484  228.6724       9.682484  153.5377 3.153129  151.0692 3.204651  2.468491       4.495777  
1 1 1 7  2  20 o 92.99490 3.276453  87.24242       4.293266  78.69877       8.586533  95.78607       8.586533  88.40129 4.856565  97.58851 4.399357  -9.187218      6.552905  
1 1 1 7  2  21 o 85.44067 3.548811  73.72411       4.283737  77.51705       8.567473  69.93117       8.567473  87.66031 4.886746  83.22104 5.147421  4.439270       7.097621  
1 1 1 7  2  22 o 95.30916 4.297785  92.59827       5.784712  87.02800       11.56942  98.16856       11.56942  92.38694 6.261396  98.23138 5.888865  -5.844437      8.595570  
1 1 1 7  2  23 o 98.67226 7.741206  104.2153       10.77843  96.72954       21.55687  111.7012       21.55687  94.87899 11.36019  102.4655 10.51908  -7.586540      15.48241  
1 1 1 7  2  24 o 45.78404 16.21898  24.76848       18.64069  24.76848       18.64069  ?              ?         45.78404 16.21898  ?        ?         ?              ?         
1 1 1 7  2  25 o 38.73872 15.37602  15.98182       17.73534  15.98182       17.73534  ?              ?         38.73872 15.37602  ?        ?         ?              ?         
1 1 1 7  3  0  o 380.1164 4.032481  1445.559       30.64849  1445.559       30.64849  1445.559       30.64849  380.1164 4.032481  380.1164 4.032481  0.000000       0.000000  
1 1 1 7  3  1  o 777.5447 4.009645  6048.879       44.09056  6060.892       88.18112  6036.867       88.18112  778.3173 5.664857  776.7722 5.676125  1.545044       8.019290  
1 1 1 7  3  2  o 1045.977 5.570639  10953.50       82.38688  10704.86       164.7738  11202.14       164.7738  1034.092 7.967078  1057.863 7.788053  -23.77087      11.14128  
1 1 1 7  3  3  o 545.0731 2.838599  2972.037       21.88089  2993.937       43.76178  2950.136       43.76178  547.0820 3.999563  543.0643 4.029153  4.017761       5.677198  
1 1 1 7  3  4  o 436.6093 2.318131  1913.120       14.24259  1693.796       28.48518  2132.443       28.48518  411.4926 3.461202  461.7260 3.084642  -50.23334      4.636263  
1 1 1 7  3  5  o 730.2781 3.789944  5337.822       39.13496  5226.312       78.26991  5449.333       78.26991  722.6434 5.415529  737.9129 5.303466  -15.26953      7.579888  
1 1 1 7  3  6  o 741.3179 3.846969  5499.855       40.32145  5637.445       80.64289  5362.266       80.64289  750.5980 5.371910  732.0378 5.508110  18.56012       7.693939  
1 1 1 7  3  7  o 1171.080 6.030633  13734.54       99.82679  13233.75       199.6536  14235.35       199.6536  1149.698 8.682875  1192.462 8.371490  -42.76416      12.06127  
1 1 1 7  3  8  o 1063.162 5.463698  11311.11       82.14863  11288.67       164.2973  11333.56       164.2973  1062.106 7.734503  1064.217 7.719161  -2.110962      10.92740  
1 1 1 7  3  9  o 836.7245 4.340168  7008.303       51.31431  7339.999       102.6286  6676.606       102.6286  856.5457 5.990843  816.9034 6.281564  39.64233       8.680336  
1 1 1 7  3  10 o 420.0043 2.263681  1765.895       13.42777  1871.159       26.85555  1660.632       26.85555  432.5356 3.104432  407.4731 3.295377  25.06253       4.527362  
1 1 1 7  3  11 o 415.7802 2.242792  1730.220       13.17523  1643.535       26.35046  1816.905       26.35046  405.3558 3.250288  426.2046 3.091293  -20.84872      4.485584  
1 1 1 7  3  12 o 273.3520 1.642830  747.6526       6.346982  717.6474       12.69396  777.6578       12.69396  267.8636 2.369483  278.8404 2.276206  -10.97675      3.285660  
1 1 1 7  3  13 o 549.6777 2.957893  3024.594       22.98637  2937.528       45.97274  3111.661       45.97274  541.7580 4.242922  557.5974 4.122395  -15.83942      5.915786  
1 1 1 7  3  14 o 167.9615 1.295177  283.8130       3.049601  240.6802       6.099203  326.9459       6.099203  155.1214 1.965945  180.8015 1.686712  -25.68018      2.590355  
1 1 1 7  3  15 o 107.5148 1.451425  116.6568       2.177606  94.86166       4.355212  138.4519       4.355212  97.37888 2.236220  117.6506 1.850909  -20.27175      2.902851  
1 1 1 7  3  16 o 189.1004 1.479261  358.6379       3.940656  394.9901       7.881313  322.2857       7.881313  198.7123 1.983097  179.4885 2.195492  19.22374       2.958523  
1 1 1 7  3  17 o 201.7568 1.706593  407.5173       4.865067  427.2872       9.730133  387.7473       9.730133  206.6562 2.354184  196.8573 2.471367  9.798920       3.413186  
1 1 1 7  3  18 o 149.5460 2.134835  224.1362       4.507692  209.4790       9.015384  238.7933       9.015384  144.6454 3.116374  154.4465 2.918610  -9.801086      4.269669  
1 1 1 7  3  19 o 49.12473 5.212820  24.41110       3.616637  25.85490       7.233273  22.96731       7.233273  50.59425 7.148315  47.65521 7.589173  2.939037       10.42564  
1 1 1 7  3  20 o 223.6559 2.551526  502.3170       8.067148  518.7277       16.13430  485.9063       16.13430  227.3246 3.548735  219.9871 3.667100  7.337463       5.103053  
1 1 1 7  3  21 o 134.8378 3.495359  183.8624       6.642413  166.4606       13.28483  201.2641       13.28483  128.3849 5.173826  141.2906 4.701240  -12.90572      6.990717  
1 1 1 7  3  22 o 116.7848 3.340973  137.9039       5.517872  138.4424       11.03574  137.3655       11.03574  117.0153 4.715514  116.5542 4.734167  0.4610596      6.681946  
1 1 1 7  3  23 o 131.8752 5.509582  181.4703       10.13992  214.1582       20.27985  148.7824       20.27985  144.2687 7.028498  119.4817 8.486589  24.78700       11.01916  
1 1 1 7  3  24 o 67.25908 9.269114  52.46744       8.491233  49.72756       16.98247  55.20731       16.98247  65.20164 13.48083  69.31651 12.72529  -4.114876      18.53823  
1 1 1 7  4  0  o 237.8380 2.643303  565.9107       12.57007  565.9107       12.57007  565.9107       12.57007  237.8380 2.643303  237.8380 2.643303  -0.000000      0.000000  
1 1 1 7  4  1  o 480.1477 2.554322  2307.181       17.33031  2415.427       34.66063  2198.934       34.66063  491.4199 3.526579  468.8755 3.696144  22.54443       5.108644  
1 1 1 7  4  2  o 352.5002 1.964013  1244.238       9.773020  1330.760       19.54604  1157.714       19.54604  364.7729 2.679206  340.2274 2.872496  24.54550       3.928025  
1 1 1 7  4  3  o 761.6996 3.944427  5807.003       42.47523  5632.756       84.95046  5981.250       84.95046  750.2615 5.661389  773.1376 5.493877  -22.87610      7.888854  
1 1 1 7  4  4  o 175.0235 1.082488  307.1901       2.668401  339.2396       5.336802  275.1407       5.336802  184.1793 1.448807  165.8678 1.608752  18.31148       2.164976  
1 1 1 7  4  5  o 251.4892 1.388044  632.9542       4.931777  600.2949       9.863553  665.6135       9.863553  244.9960 2.013003  257.9824 1.911672  -12.98636      2.776089  
1 1 1 7  4  6  o 247.4790 1.378233  614.6519       4.798357  687.1514       9.596713  542.1524       9.596713  262.1266 1.830549  232.8314 2.060872  29.29523       2.756465  
1 1 1 7  4  7  f 317.5498 1.729259  1010.433       7.743128  1099.477       15.48626  921.3893       15.48626  331.5702 2.335291  303.5294 2.551031  28.04080       3.458517  
1 1 1 7  4  8  o 120.4637 0.9617491 146.4905       1.615336  174.7136       3.230671  118.2673       3.230671  132.1781 1.222091  108.7493 1.485375  23.42873       1.923498  
1 1 1 7  4  9  o 72.50621 1.008214  53.05353       1.019710  42.99938       2.039421  63.10768       2.039421  65.57291 1.555079  79.43952 1.283631  -13.86662      2.016428  
1 1 1 7  4  10 o 189.3410 1.151803  358.6093       3.082956  370.2121       6.165912  347.0065       6.165912  192.4050 1.602327  186.2770 1.655039  6.127975       2.303607  
1 1 1 7  4  11 o 302.6368 1.691635  916.1860       7.238038  891.0649       14.47608  941.3070       14.47608  298.4865 2.424913  306.7872 2.359302  -8.300720      3.383269  
1 1 1 7  4  12 o 722.5349 3.802555  5226.806       38.84429  5369.757       77.68858  5083.857       77.68858  732.4272 5.303503  712.6426 5.450740  19.78455       7.605111  
1 1 1 7  4  13 o 336.0817 1.917204  1131.221       9.096388  1054.114       18.19278  1208.328       18.19278  324.6102 2.802250  347.5532 2.617265  -22.94299      3.834407  
1 1 1 7  4  14 o 43.68203 2.888382  20.34656       1.615336  30.11481       3.230671  10.57831       3.230671  54.86312 2.944302  32.50094 4.970120  22.36218       5.776765  
1 1 1 7  4  15 o 161.1583 1.343815  259.9928       3.059131  245.4738       6.118262  274.5118       6.118262  156.6537 1.952799  165.6628 1.846601  -9.009140      2.687630  
1 1 1 7  4  16 o 164.0970 1.434578  269.5419       3.325971  255.8425       6.651943  283.2413       6.651943  159.9229 2.079735  168.2712 1.976554  -8.348343      2.869157  
1 1 1 7  4  17 o 89.45587 2.142712  80.36176       2.696991  89.67733       5.393982  71.04618       5.393982  94.66268 2.849054  84.24907 3.201212  10.41361       4.285425  
1 1 1 7  4  18 o 81.08415 2.975543  67.19130       3.311677  48.66973       6.623353  85.71286       6.623353  69.66296 4.753855  92.50535 3.579984  -22.84238      5.951086  
1 1 1 7  4  19 o 45.32447 5.384724  21.12325       3.368856  19.49839       6.737713  22.74812       6.737713  43.19342 8.098491  47.45552 7.098977  -4.262104      10.76945  
1 1 1 7  4  20 o 140.4449 2.408610  198.3289       4.769767  215.8832       9.539534  180.7746       9.539534  146.6944 3.251498  134.1954 3.554345  12.49905       4.817220  
1 1 1 7  4  21 o 47.27344 6.155586  23.43428       4.016897  26.09315       8.033793  20.77541       8.033793  50.48701 7.956296  44.05987 9.394802  6.427147       12.31117  
1 1 1 7  4  22 o 33.81536 8.604833  10.74508       5.293917  8.424523       10.58783  13.06564       10.58783  31.80691 12.07015  35.82381 12.26719  -4.016893      17.20967  
1 1 1 7  4  23 o 67.86249 10.51172  53.91600       9.849260  63.66042       19.69852  44.17157       19.69852  74.88315 13.65934  60.84183 15.98148  14.04132       21.02345  
1 1 1 7  4  24 o 51.59727 8.385755  30.56272       6.003902  33.44078       12.00780  27.68466       12.00780  54.29486 11.41874  48.89967 12.28397  5.395184       16.77151  
1 1 1 7  5  0  o 735.8428 7.681257  5419.084       113.0163  5419.084       113.0163  5419.084       113.0163  735.8428 7.681257  735.8428 7.681257  -0.000000      0.000000  
1 1 1 7  5  1  o 615.4104 3.243666  3788.882       28.22787  3846.605       56.45575  3731.158       56.45575  620.1002 4.552147  610.7206 4.622060  9.379639       6.487332  
1 1 1 7  5  2  f 429.0090 2.283502  1841.058       13.85186  1801.685       27.70372  1880.432       27.70372  424.4201 3.263715  433.5978 3.194633  -9.177734      4.567003  
1 1 1 7  5  3  o 167.4503 1.058996  285.5428       2.439681  209.6696       4.879362  361.4159       4.879362  144.7950 1.684921  190.1058 1.283328  -45.31081      2.117992  
1 1 1 7  5  4  o 324.7932 1.757191  1057.525       8.043323  1158.925       16.08665  956.1262       16.08665  340.4030 2.362882  309.1834 2.601473  31.21960       3.514381  
1 1 1 7  5  5  o 309.2854 1.669747  957.0077       7.299983  923.2191       14.59997  990.7963       14.59997  303.8230 2.402709  314.7478 2.319312  -10.92474      3.339494  
1 1 1 7  5  6  o 367.5525 1.967366  1351.212       10.22569  1368.461       20.45139  1333.962       20.45139  369.8990 2.764456  365.2060 2.799980  4.693024       3.934731  
1 1 1 7  5  7  o 607.5165 3.177414  3691.805       27.29870  3671.529       54.59740  3712.079       54.59740  605.8478 4.505867  609.1852 4.481182  -3.337402      6.354828  
1 1 1 7  5  8  o 208.6855 1.237856  438.4326       3.616637  509.7504       7.233273  367.1148       7.233273  225.7729 1.601892  191.5981 1.887616  34.17476       2.475712  
1 1 1 7  5  9  o 403.0264 2.165260  1624.909       12.33659  1676.356       24.67318  1573.461       24.67318  409.4091 3.013268  396.6437 3.110245  12.76535       4.330520  
1 1 1 7  5  10 o 252.3675 1.465954  637.3285       5.227207  668.8538       10.45441  605.8033       10.45441  258.6134 2.021244  246.1216 2.123832  12.49181       2.931908  
1 1 1 7  5  11 o 320.0936 1.786343  1024.776       8.086207  1015.984       16.17241  1033.567       16.17241  318.7204 2.537086  321.4669 2.515409  -2.746521      3.572686  
1 1 1 7  5  12 o 315.5030 1.794146  995.6566       8.005203  990.8440       16.01041  1000.469       16.01041  314.7403 2.543432  316.2657 2.531164  -1.525421      3.588291  
1 1 1 7  5  13 o 197.8934 1.321678  392.4456       3.688112  357.8993       7.376224  426.9918       7.376224  189.1649 1.949681  206.6219 1.784957  -17.45700      2.643355  
1 1 1 7  5  14 o 67.44696 1.769173  46.47306       1.634396  59.73406       3.268791  33.21206       3.268791  77.27765 2.114966  57.61628 2.836691  19.66137       3.538346  
1 1 1 7  5  15 o 285.3071 1.759655  814.3913       7.099854  809.4977       14.19971  819.2849       14.19971  284.4495 2.495998  286.1647 2.481037  -1.715210      3.519311  
1 1 1 7  5  16 o 143.2702 1.534205  205.6289       3.102016  220.9722       6.204032  190.2856       6.204032  148.6249 2.087145  137.9155 2.249215  10.70935       3.068410  
1 1 1 7  5  17 f 142.0973 1.576380  202.5793       3.154431  181.1177       6.308862  224.0409       6.308862  134.5456 2.344507  149.6490 2.107886  -15.10344      3.152760  
1 1 1 7  5  18 o 171.1562 1.925736  293.4764       4.655407  310.4494       9.310814  276.5035       9.310814  176.1145 2.643397  166.1979 2.801122  9.916641       3.851472  
1 1 1 7  5  19 o 216.6931 2.303186  471.0538       7.047437  441.2106       14.09487  500.8970       14.09487  209.8071 3.359009  223.5792 3.152099  -13.77209      4.606372  
1 1 1 7  5  20 o 75.14285 3.990245  57.04660       4.236087  59.97231       8.472174  54.12089       8.472174  77.08961 5.495017  73.19608 5.787314  3.893532       7.980489  
1 1 1 7  5  21 o 152.9637 2.667529  235.2386       5.770417  236.5728       11.54083  233.9044       11.54083  153.3998 3.761684  152.5276 3.783196  0.8722382      5.335058  
1 1 1 7  5  22 o 43.58702 7.531848  20.16072       5.246267  33.58373       10.49253  6.737713       10.49253  56.77661 9.240191  30.39744 11.89680  26.37916       15.06370  
1 1 1 7  5  23 o 46.43653 10.40428  24.74466       7.671653  23.07214       15.34331  26.41717       15.34331  45.09592 14.76731  47.77714 14.66025  -2.681217      20.80857  
1 1 1 7  5  24 o 125.0382 4.803817  162.3055       8.476938  150.6503       16.95388  173.9607       16.95388  120.3776 7.041958  129.6989 6.535861  -9.321304      9.607635  
1 1 1 7  5  25 o 41.91128 15.35430  21.65217       16.82999  21.65217       16.82999  ?              ?         41.91128 15.35430  ?        ?         ?              ?         
1 1 1 7  6  0  o 750.3234 7.799792  5634.739       117.0189  5634.739       117.0189  5634.739       117.0189  750.3234 7.799792  750.3234 7.799792  -0.000000      0.000000  
1 1 1 7  6  1  o 696.0612 3.663966  4847.514       36.06630  4805.466       72.13261  4889.560       72.13261  693.0409 5.204065  699.0815 5.159098  -6.040588      7.327932  
1 1 1 7  6  2  o 264.7007 1.440553  701.4321       5.384452  656.9127       10.76890  745.9515       10.76890  256.2913 2.100911  273.1100 1.971532  -16.81879      2.881105  
1 1 1 7  6  3  o 355.8580 2.003852  1271.960       10.02080  1436.610       20.04160  1107.310       20.04160  378.9922 2.644064  332.7238 3.011747  46.26840       4.007704  
1 1 1 7  6  4  f 502.6704 2.643638  2528.625       18.78364  2435.631       37.56728  2621.618       37.56728  493.4204 3.806823  511.9204 3.669250  -18.49997      5.287277  
1 1 1 7  6  5  o 79.22478 0.6760212 63.28400       0.7481053 51.89087       1.496211  74.67711       1.496211  72.03439 1.038539  86.41515 0.8657108 -14.38076      1.352042  
1 1 1 7  6  6  o 228.4859 1.406926  522.1251       4.545812  529.7062       9.091624  514.5440       9.091624  230.1449 1.975195  226.8270 2.004088  3.317978       2.813853  
1 1 1 7  6  7  o 901.2192 4.672512  8126.721       59.54823  8231.313       119.0965  8022.129       119.0965  907.0220 6.565246  895.4165 6.650338  11.60553       9.345023  
1 1 1 7  6  8  o 237.3053 1.365686  563.8903       4.574402  604.3071       9.148804  523.4736       9.148804  245.8211 1.860866  228.7896 1.999393  17.03152       2.731373  
1 1 1 7  6  9  o 116.5936 0.9203526 137.5132       1.491446  108.2990       2.982891  166.7274       2.982891  104.0653 1.433182  129.1218 1.155069  -25.05647      1.840705  
1 1 1 7  6  10 o 294.9887 1.663656  873.2724       6.904487  770.9677       13.80897  975.5770       13.80897  277.6483 2.486775  312.3291 2.210645  -34.68085      3.327311  
1 1 1 7  6  11 o 418.8490 2.280016  1754.931       13.50401  1724.997       27.00803  1784.865       27.00803  415.2757 3.251820  422.4224 3.196804  -7.146698      4.560031  
1 1 1 7  6  12 o 287.2174 1.658201  825.3079       6.732948  850.9722       13.46590  799.6436       13.46590  291.6852 2.308293  282.7497 2.381240  8.935516       3.316402  
1 1 1 7  6  13 o 315.9250 1.816398  998.4585       8.114799  1012.477       16.22960  984.4399       16.22960  318.1436 2.550671  313.7063 2.586750  4.437286       3.632795  
1 1 1 7  6  14 o 117.3915 1.322495  137.9897       2.191901  147.1814       4.383801  128.7980       4.383801  121.3064 1.806912  113.4765 1.931590  7.829948       2.644990  
1 1 1 7  6  15 o 66.67494 2.234362  44.63377       2.096601  39.56858       4.193202  49.69897       4.193202  62.87651 3.334474  70.47337 2.975026  -7.596851      4.468724  
1 1 1 7  6  16 o 143.2578 1.531299  205.3239       3.102016  208.8882       6.204032  201.7597       6.204032  144.5018 2.146698  142.0138 2.184306  2.487976       3.062597  
1 1 1 7  6  17 o 104.3977 1.858289  109.5379       2.725581  123.9758       5.451162  95.09991       5.451162  111.3126 2.448584  97.48281 2.795961  13.82976       3.716579  
1 1 1 7  6  18 o 54.43676 4.376639  30.18152       3.302146  37.04313       6.604293  23.31992       6.604293  60.73912 5.436606  48.13440 6.860263  12.60472       8.753279  
1 1 1 7  6  19 o 100.8137 2.333838  101.8948       3.325971  105.3351       6.651943  98.45447       6.651943  102.5199 3.244219  99.10738 3.355927  3.412560       4.667676  
1 1 1 7  6  20 o 137.9151 2.632399  191.4054       5.117613  209.1073       10.23522  173.7034       10.23522  144.3328 3.545703  131.4974 3.891798  12.83542       5.264798  
1 1 1 7  6  21 o 82.90881 4.743901  70.22183       5.522637  79.70896       11.04527  60.73471       11.04527  88.63023 6.231099  77.18739 7.154844  11.44284       9.487802  
1 1 1 7  6  22 f 251.0041 3.272675  636.5947       11.61707  638.7581       23.23415  634.4314       23.23415  251.4350 4.620308  250.5732 4.636200  0.8618469      6.545350  
1 1 1 7  6  23 o 50.62762 9.348879  29.48583       6.804423  33.13582       13.60885  25.83584       13.60885  53.88981 12.79967  47.36543 13.62991  6.524387       18.69776  
1 1 1 7  6  24 o 91.75979 7.303701  92.46486       9.286988  72.87594       18.57398  112.0538       18.57398  81.08576 11.45329  102.4338 9.066331  -21.34805      14.60740  
1 1 1 7  6  25 o 73.27827 8.285176  62.59307       8.343518  56.22703       16.68704  68.95911       16.68704  68.41621 12.67144  78.14034 10.67761  -9.724129      16.57035  
1 1 1 7  7  0  o 639.9357 9.555836  4099.789       122.2414  4099.789       122.2414  4099.789       122.2414  639.9357 9.555836  639.9357 9.555836  0.000000       0.000000  
1 1 1 7  7  1  o 249.1124 2.776235  620.8512       13.82804  620.8512       13.82804  620.8512       13.82804  249.1124 2.776235  249.1124 2.776235  0.000000       0.000000  
1 1 1 7  7  2  o 265.8999 2.918211  707.3550       15.51485  707.3550       15.51485  707.3550       15.51485  265.8999 2.918211  265.8999 2.918211  -0.000000      0.000000  
1 1 1 7  7  3  o 370.3024 3.956596  1372.006       29.29523  1372.006       29.29523  1372.006       29.29523  370.3024 3.956596  370.3024 3.956596  0.000000       0.000000  
1 1 1 7  7  4  o 93.66338 1.613767  87.80946       3.021011  87.80946       3.021011  87.80946       3.021011  93.66338 1.613767  93.66338 1.613767  0.000000       0.000000  
1 1 1 7  7  5  o 202.1100 2.348909  408.6751       9.491883  408.6751       9.491883  408.6751       9.491883  202.1100 2.348909  202.1100 2.348909  0.000000       0.000000  
1 1 1 7  7  6  f 1074.790 11.07734  11568.00       238.0595  11568.00       238.0595  11568.00       238.0595  1074.790 11.07734  1074.790 11.07734  -0.000000      0.000000  
1 1 1 7  7  7  o 551.7594 5.797929  3045.990       63.96539  3045.990       63.96539  3045.990       63.96539  551.7594 5.797929  551.7594 5.797929  0.000000       0.000000  
1 1 1 7  7  8  f 134.2223 2.134808  180.2982       5.727532  180.2982       5.727532  180.2982       5.727532  134.2223 2.134808  134.2223 2.134808  0.000000       0.000000  
1 1 1 7  7  9  o 362.3176 3.920162  1313.349       28.39941  1313.349       28.39941  1313.349       28.39941  362.3176 3.920162  362.3176 3.920162  0.000000       0.000000  
1 1 1 7  7  10 o 745.0251 7.793869  5555.573       116.1040  5555.573       116.1040  5555.573       116.1040  745.0251 7.793869  745.0251 7.793869  0.000000       0.000000  
1 1 1 7  7  11 o 146.6413 2.207480  215.1970       6.470873  215.1970       6.470873  215.1970       6.470873  146.6413 2.207480  146.6413 2.207480  0.000000       0.000000  
1 1 1 7  7  12 o 65.58562 3.117343  43.31387       4.069312  43.31387       4.069312  43.31387       4.069312  65.58562 3.117343  65.58562 3.117343  0.000000       0.000000  
1 1 1 7  7  13 f 274.1848 3.278693  752.2985       17.97359  752.2985       17.97359  752.2985       17.97359  274.1848 3.278693  274.1848 3.278693  0.000000       0.000000  
1 1 1 7  7  14 o 44.31329 5.550705  20.56575       4.793592  20.56575       4.793592  20.56575       4.793592  44.31329 5.550705  44.31329 5.550705  -0.000000      0.000000  
1 1 1 7  7  15 o 165.4515 2.766528  274.0543       9.148804  274.0543       9.148804  274.0543       9.148804  165.4515 2.766528  165.4515 2.766528  -0.000000      0.000000  
1 1 1 7  7  16 o 202.7301 3.177158  411.4770       12.87504  411.4770       12.87504  411.4770       12.87504  202.7301 3.177158  202.7301 3.177158  0.000000       0.000000  
1 1 1 7  7  17 f 243.8831 3.356108  595.4633       16.36302  595.4633       16.36302  595.4633       16.36302  243.8831 3.356108  243.8831 3.356108  0.000000       0.000000  
1 1 1 7  7  18 f 313.6635 4.475922  985.8884       28.06586  985.8884       28.06586  985.8884       28.06586  313.6635 4.475922  313.6635 4.475922  -0.000000      0.000000  
1 1 1 7  7  19 o 83.76561 6.235093  71.60845       10.33052  71.60845       10.33052  71.60845       10.33052  83.76561 6.235093  83.76561 6.235093  -0.000000      0.000000  
1 1 1 7  7  20 f 88.56329 6.582617  80.22357       11.53130  80.22357       11.53130  80.22357       11.53130  88.56329 6.582617  88.56329 6.582617  0.000000       0.000000  
1 1 1 7  7  21 o 281.8997 4.823943  798.8621       27.17957  798.8621       27.17957  798.8621       27.17957  281.8997 4.823943  281.8997 4.823943  -0.000000      0.000000  
1 1 1 7  7  22 o 48.12140 19.12575  33.91728       17.69722  33.91728       17.69722  33.91728       17.69722  48.12140 19.12575  48.12140 19.12575  -0.000000      0.000000  
1 1 1 7  7  23 o 49.65354 18.63904  35.64222       17.22072  35.64222       17.22072  35.64222       17.22072  49.65354 18.63904  49.65354 18.63904  -0.000000      0.000000  
1 1 1 7  7  24 o 25.70151 16.59857  4.774532       19.26014  4.774532       19.26014  4.774532       19.26014  25.70151 16.59857  25.70151 16.59857  -0.000000      0.000000  
1 1 1 8  0  0  o 838.2941 12.22849  7036.077       204.9237  7036.077       204.9237  7036.077       204.9237  838.2941 12.22849  838.2941 12.22849  0.000000       0.000000  
1 1 1 8  0  1  f 536.7210 6.024529  2882.635       64.65155  2882.635       64.65155  2882.635       64.65155  536.7210 6.024529  536.7210 6.024529  0.000000       0.000000  
1 1 1 8  0  2  o 846.8306 10.10007  7180.648       171.0064  7180.648       171.0064  7180.648       171.0064  846.8306 10.10007  846.8306 10.10007  0.000000       0.000000  
1 1 1 8  0  3  o 28.10505 1.397601  7.957553       0.7814603 7.957553       0.7814603 7.957553       0.7814603 28.10505 1.397601  28.10505 1.397601  0.000000       0.000000  
1 1 1 8  0  4  o 627.3727 6.519754  3939.523       81.78649  3939.523       81.78649  3939.523       81.78649  627.3727 6.519754  627.3727 6.519754  0.000000       0.000000  
1 1 1 8  0  5  o 352.0750 3.759369  1240.225       26.46482  1240.225       26.46482  1240.225       26.46482  352.0750 3.759369  352.0750 3.759369  0.000000       0.000000  
1 1 1 8  0  6  o 139.6250 1.922174  195.0696       5.365392  195.0696       5.365392  195.0696       5.365392  139.6250 1.922174  139.6250 1.922174  -0.000000      0.000000  
1 1 1 8  0  7  f 316.0774 3.423023  999.4878       21.63311  999.4878       21.63311  999.4878       21.63311  316.0774 3.423023  316.0774 3.423023  -0.000000      0.000000  
1 1 1 8  0  8  o 600.8686 6.293362  3612.481       75.61105  3612.481       75.61105  3612.481       75.61105  600.8686 6.293362  600.8686 6.293362  0.000000       0.000000  
1 1 1 8  0  9  o 128.2450 1.847485  164.5736       4.736412  164.5736       4.736412  164.5736       4.736412  128.2450 1.847485  128.2450 1.847485  -0.000000      0.000000  
1 1 1 8  0  10 o 123.6302 2.051719  152.9756       5.069962  152.9756       5.069962  152.9756       5.069962  123.6302 2.051719  123.6302 2.051719  0.000000       0.000000  
1 1 1 8  0  11 o 906.1205 9.403749  8221.706       170.3774  8221.706       170.3774  8221.706       170.3774  906.1205 9.403749  906.1205 9.403749  -0.000000      0.000000  
1 1 1 8  0  12 o 767.6171 8.085451  5901.017       124.0997  5901.017       124.0997  5901.017       124.0997  767.6171 8.085451  767.6171 8.085451  0.000000       0.000000  
1 1 1 8  0  13 o 736.6671 7.747096  5436.362       114.1123  5436.362       114.1123  5436.362       114.1123  736.6671 7.747096  736.6671 7.747096  -0.000000      0.000000  
1 1 1 8  0  14 o 248.9453 3.113379  620.2031       15.49579  620.2031       15.49579  620.2031       15.49579  248.9453 3.113379  248.9453 3.113379  -0.000000      0.000000  
1 1 1 8  0  15 o 404.4271 4.555079  1637.502       36.83347  1637.502       36.83347  1637.502       36.83347  404.4271 4.555079  404.4271 4.555079  0.000000       0.000000  
1 1 1 8  0  16 o 30.96724 10.46586  12.41759       5.784712  12.41759       5.784712  12.41759       5.784712  30.96724 10.46586  30.96724 10.46586  -0.000000      0.000000  
1 1 1 8  0  17 o 151.1989 3.341046  229.0632       10.09227  229.0632       10.09227  229.0632       10.09227  151.1989 3.341046  151.1989 3.341046  0.000000       0.000000  
1 1 1 8  0  18 o 447.7078 5.096336  2008.524       45.62013  2008.524       45.62013  2008.524       45.62013  447.7078 5.096336  447.7078 5.096336  0.000000       0.000000  
1 1 1 8  0  19 o 41.83247 14.37607  23.04355       10.79749  23.04355       10.79749  23.04355       10.79749  41.83247 14.37607  41.83247 14.37607  -0.000000      0.000000  
1 1 1 8  0  20 o 43.41430 14.48014  24.68271       11.16916  24.68271       11.16916  24.68271       11.16916  43.41430 14.48014  43.41430 14.48014  -0.000000      0.000000  
1 1 1 8  0  21 o 39.56308 16.34359  22.74812       12.77020  22.74812       12.77020  22.74812       12.77020  39.56308 16.34359  39.56308 16.34359  0.000000       0.000000  
1 1 1 8  0  22 o 39.23804 20.19921  25.13062       20.04160  25.13062       20.04160  25.13062       20.04160  39.23804 20.19921  39.23804 20.19921  -0.000000      0.000000  
1 1 1 8  0  23 o 35.50720 20.58428  19.93677       23.41522  19.93677       23.41522  19.93677       23.41522  35.50720 20.58428  35.50720 20.58428  -0.000000      0.000000  
1 1 1 8  0  24 o 128.1034 7.318125  169.1004       18.62163  169.1004       18.62163  169.1004       18.62163  128.1034 7.318125  128.1034 7.318125  0.000000       0.000000  
1 1 1 8  1  0  o 1100.246 13.03997  12127.12       286.8531  12127.12       286.8531  12127.12       286.8531  1100.246 13.03997  1100.246 13.03997  -0.000000      0.000000  
1 1 1 8  1  1  o 885.0914 5.077327  7845.375       63.49365  7453.301       126.9873  8237.449       126.9873  862.9426 7.357807  907.2402 6.998549  -44.29761      10.15465  
1 1 1 8  1  2  o 399.2827 2.297992  1596.986       12.94651  1472.624       25.89302  1721.347       25.89302  383.7095 3.374040  414.8558 3.120725  -31.14630      4.595984  
1 1 1 8  1  3  o 225.3747 1.230919  508.1159       3.921597  525.3224       7.843193  490.9096       7.843193  229.1920 1.711053  221.5574 1.770014  7.634567       2.461839  
1 1 1 8  1  4  o 37.63288 0.6855413 14.23306       0.3621401 16.22960       0.7242803 12.23652       0.7242803 40.28553 0.8989336 34.98023 1.035271  5.305302       1.371083  
1 1 1 8  1  5  o 658.6588 3.416009  4341.327       31.81592  4265.296       63.63184  4417.357       63.63184  652.8871 4.873112  664.4304 4.788451  -11.54321      6.832018  
1 1 1 8  1  6  o 774.6406 4.010752  6004.674       43.93808  6006.609       87.87617  6002.740       87.87617  774.7654 5.671146  774.5157 5.672975  0.2496948      8.021504  
1 1 1 8  1  7  o 329.5760 1.785405  1089.380       8.286338  973.8044       16.57268  1204.955       16.57268  312.0421 2.655519  347.1100 2.387237  -35.06787      3.570810  
1 1 1 8  1  8  o 179.3877 1.185449  323.9058       2.978126  375.8443       5.956253  271.9673       5.956253  193.8643 1.536191  164.9110 1.805899  28.95323       2.370897  
1 1 1 8  1  9  o 400.2358 2.165240  1602.084       12.25558  1595.294       24.51117  1608.874       24.51117  399.3875 3.068595  401.0840 3.055615  -1.696503      4.330480  
1 1 1 8  1  10 o 920.1937 4.773606  8473.794       62.12132  8479.540       124.2426  8468.048       124.2426  920.5059 6.748607  919.8814 6.753189  0.6245117      9.547213  
1 1 1 8  1  11 o 323.6559 1.791936  1048.625       8.191037  1111.237       16.38207  986.0124       16.38207  333.3285 2.457347  313.9832 2.608750  19.34528       3.583871  
1 1 1 8  1  12 o 376.9633 2.081350  1422.096       11.08816  1483.050       22.17632  1361.142       22.17632  385.0482 2.879681  368.8784 3.005911  16.16974       4.162699  
1 1 1 8  1  13 o 230.9748 1.439512  533.8898       4.698292  508.9879       9.396584  558.7918       9.396584  225.5842 2.082722  236.3654 1.987724  -10.78122      2.879023  
1 1 1 8  1  14 o 240.0626 1.541805  576.9893       5.227207  542.0380       10.45441  611.9406       10.45441  232.7829 2.245528  247.3422 2.113350  -14.55922      3.083609  
1 1 1 8  1  15 o 111.8450 1.470801  125.3434       2.320556  135.5929       4.641112  115.0939       4.641112  116.4271 1.993141  107.2630 2.163426  9.164047       2.941602  
1 1 1 8  1  16 o 400.3668 2.300851  1604.305       13.02751  1604.814       26.05503  1603.795       26.05503  400.4305 3.253377  400.3032 3.254412  0.1273193      4.601702  
1 1 1 8  1  17 o 114.5420 1.860734  133.0293       2.954301  102.7239       5.908603  163.3347       5.908603  101.3131 2.916012  127.7710 2.312185  -26.45790      3.721468  
1 1 1 8  1  18 o 282.5594 1.966348  799.1909       7.857488  796.8513       15.71498  801.5305       15.71498  282.1454 2.784907  282.9735 2.776758  -0.8280334     3.932695  
1 1 1 8  1  19 o 90.18973 2.878413  82.55843       3.607106  100.1889       7.214212  64.92791       7.214212  99.96385 3.608410  80.41560 4.485580  19.54825       5.756827  
1 1 1 8  1  20 o 32.79786 6.408966  9.606246       3.783412  -1.667751      7.566823  20.88024       7.566823  21.15329 9.294568  44.44242 8.826687  -23.28914      12.81793  
1 1 1 8  1  21 o 46.39535 6.998213  23.15314       4.460042  20.23220       8.920084  26.07409       8.920084  43.27529 10.41636  49.51541 9.348761  -6.240120      13.99643  
1 1 1 8  1  22 o 118.9199 4.164845  143.9031       6.999787  149.8021       13.99957  138.0040       13.99957  121.4002 5.765881  116.4396 6.011518  4.960541       8.329690  
1 1 1 8  1  23 o 91.60652 5.978803  88.64333       7.566823  109.5569       15.13365  67.72974       15.13365  103.0214 7.344902  80.19161 9.435929  22.82981       11.95761  
1 1 1 8  1  24 o 63.90665 9.636494  48.02645       8.443583  45.42953       16.88717  50.62338       16.88717  61.88442 13.97378  65.92888 13.27333  -4.044460      19.27299  
1 1 1 8  2  0  o 922.4173 9.489719  8517.479       175.0280  8517.479       175.0280  8517.479       175.0280  922.4173 9.489719  922.4173 9.489719  -0.000000      0.000000  
1 1 1 8  2  1  o 318.4007 1.782073  1013.911       8.024263  1021.626       16.04853  1006.197       16.04853  319.6121 2.510625  317.1892 2.529803  2.422882       3.564147  
1 1 1 8  2  2  f 266.6331 1.560850  711.4434       5.880013  747.2000       11.76003  675.6868       11.76003  273.3383 2.151185  259.9279 2.262171  13.41040       3.121701  
1 1 1 8  2  3  o 124.9242 0.9111614 167.5660       1.439031  82.83480       2.878061  252.2973       2.878061  91.01113 1.581159  158.8373 0.9059780 -67.82613      1.822323  
1 1 1 8  2  4  o 356.3936 1.918179  1272.489       9.644363  1374.970       19.28873  1170.008       19.28873  370.7711 2.601164  342.0161 2.819857  28.75500       3.836359  
1 1 1 8  2  5  o 275.4767 1.499549  759.3841       5.837128  723.6418       11.67426  795.1264       11.67426  268.9894 2.170022  281.9641 2.070167  -12.97473      2.999097  
1 1 1 8  2  6  o 437.6615 2.321351  1916.026       14.36648  1884.606       28.73296  1947.447       28.73296  434.0719 3.309701  441.2511 3.255852  -7.179199      4.642703  
1 1 1 8  2  7  o 502.9886 2.655361  2530.488       18.88847  2530.988       37.77693  2529.987       37.77693  503.0384 3.754876  502.9389 3.755619  0.9948730E-01  5.310722  
1 1 1 8  2  8  o 581.8440 3.051450  3386.816       25.10203  3295.294       50.20406  3478.337       50.20406  573.9792 4.373334  589.7088 4.256682  -15.72955      6.102901  
1 1 1 8  2  9  o 828.2502 4.295740  6863.952       50.30890  7005.973       100.6178  6721.931       100.6178  836.8238 6.011886  819.6768 6.137650  17.14703       8.591480  
1 1 1 8  2  10 f 659.8851 3.450629  4356.169       32.20188  4349.389       64.40376  4362.950       64.40376  659.3714 4.883725  660.3989 4.876126  -1.027527      6.901259  
1 1 1 8  2  11 o 304.3591 1.706592  926.7072       7.342868  897.2022       14.68574  956.2120       14.68574  299.5120 2.451611  309.2061 2.374748  -9.694122      3.413184  
1 1 1 8  2  12 o 323.9623 1.840277  1049.930       8.429289  1023.675       16.85858  1076.185       16.85858  319.9102 2.634892  328.0146 2.569791  -8.104401      3.680555  
1 1 1 8  2  13 o 155.5487 1.243760  242.3242       2.730346  224.3363       5.460692  260.3120       5.460692  149.7666 1.823067  161.3308 1.692390  -11.56416      2.487520  
1 1 1 8  2  14 o 140.6524 1.224169  197.8715       2.434916  195.7082       4.869832  200.0348       4.869832  139.8834 1.740676  141.4214 1.721745  -1.538055      2.448338  
1 1 1 8  2  15 o 295.4617 1.778454  873.5916       7.428638  847.1315       14.85728  900.0518       14.85728  290.9840 2.552937  299.9395 2.476712  -8.955475      3.556907  
1 1 1 8  2  16 o 70.27583 2.375671  52.06241       2.177606  74.88677       4.355212  29.23805       4.355212  86.51495 2.517028  54.03670 4.029865  32.47826       4.751341  
1 1 1 8  2  17 o 93.37003 2.059323  87.92859       2.687461  72.50426       5.374923  103.3529       5.374923  85.11025 3.157623  101.6298 2.644363  -16.51956      4.118645  
1 1 1 8  2  18 o 28.98287 5.622832  8.071913       2.720816  1.467621       5.441632  14.67621       5.441632  20.44558 8.364321  37.52016 7.516855  -17.07458      11.24566  
1 1 1 8  2  19 o 173.5879 2.181775  301.9153       5.355862  299.0229       10.71172  304.8076       10.71172  172.7548 3.100268  174.4210 3.070652  -1.666214      4.363550  
1 1 1 8  2  20 o 74.11441 4.351673  55.56946       4.560107  54.21619       9.120214  56.92271       9.120214  73.20146 6.229530  75.02737 6.077925  -1.825905      8.703345  
1 1 1 8  2  21 o 40.57863 8.912631  16.06282       6.280273  27.76090       12.56055  4.364742       12.56055  50.27052 12.52441  30.88674 12.68382  19.38377       17.82526  
1 1 1 8  2  22 o 176.5396 3.001994  314.5474       7.490582  302.3013       14.98116  326.7934       14.98116  173.0713 4.328033  180.0080 4.161251  -6.936722      6.003989  
1 1 1 8  2  23 f 34.82351 10.91095  -2.892355      10.92138  7.652593       21.84277  -13.43731      21.84277  38.62438 16.35042  31.02264 14.45197  7.601738       21.82191  
1 1 1 8  2  24 o 48.56058 18.82173  28.08492       26.13127  28.08492       26.13127  ?              ?         48.56058 18.82173  ?        ?         ?              ?         
1 1 1 8  2  25 o 71.68361 8.662291  61.88785       8.195804  38.67275       16.39161  85.10293       16.39161  55.11385 14.62528  88.25337 9.286675  -33.13952      17.32458  
1 1 1 8  3  0  o 59.57900 1.016380  35.52785       1.210310  35.52785       1.210310  35.52785       1.210310  59.57900 1.016380  59.57900 1.016380  0.000000       0.000000  
1 1 1 8  3  1  o 87.48459 0.6484181 76.95001       0.7957553 65.69985       1.591511  88.20019       1.591511  81.05479 0.9817500 93.91438 0.8473200 -12.85960      1.296836  
1 1 1 8  3  2  o 659.0372 3.576042  4354.325       33.22636  3959.707       66.45271  4748.944       66.45271  629.0983 5.281585  688.9763 4.822569  -59.87799      7.152085  
1 1 1 8  3  3  o 115.8020 0.7550762 137.0748       1.196015  176.9912       2.392031  97.15839       2.392031  133.0368 0.8990110 98.56728 1.213400  34.46952       1.510152  
1 1 1 8  3  4  o 434.4269 2.306563  1891.620       14.12823  1722.434       28.25646  2060.806       28.25646  414.9545 3.404766  453.8992 3.112636  -38.94470      4.613126  
1 1 1 8  3  5  o 243.5654 1.356526  596.3734       4.636347  681.8337       9.272694  510.9130       9.272694  261.1090 1.775637  226.0218 2.051283  35.08722       2.713052  
1 1 1 8  3  6  o 655.8656 3.416365  4303.668       31.68726  4336.342       63.37452  4270.995       63.37452  658.3565 4.813086  653.3748 4.849783  4.981750       6.832730  
1 1 1 8  3  7  o 200.6659 1.201133  402.8142       3.406976  417.2903       6.813953  388.3381       6.813953  204.2729 1.667855  197.0589 1.728913  7.214020       2.402266  
1 1 1 8  3  8  o 418.0632 2.218806  1748.003       13.11805  1759.553       26.23610  1736.453       26.23610  419.4447 3.127480  416.6818 3.148217  2.762848       4.437613  
1 1 1 8  3  9  o 621.5801 3.258782  3865.026       28.64243  3937.702       57.28485  3792.351       57.28485  627.4262 4.565067  615.7341 4.651752  11.69214       6.517564  
1 1 1 8  3  10 o 309.9686 1.774626  969.4158       7.676419  1150.300       15.35284  788.5316       15.35284  339.1465 2.263453  280.7908 2.733857  58.35565       3.549252  
1 1 1 8  3  11 o 787.1590 4.105721  6201.588       45.70113  6104.606       91.40227  6298.570       91.40227  780.9987 5.851627  793.3193 5.760749  -12.32056      8.211442  
1 1 1 8  3  12 o 213.4468 1.326110  455.6819       4.002602  462.9771       8.005203  448.3867       8.005203  215.1557 1.860327  211.7379 1.890357  3.417816       2.652219  
1 1 1 8  3  13 o 317.7823 1.812933  1010.519       8.143388  1047.748       16.28678  973.2899       16.28678  323.6399 2.516188  311.9246 2.610691  11.71527       3.625867  
1 1 1 8  3  14 o 269.3867 1.620825  726.2434       6.170677  757.0920       12.34135  695.3948       12.34135  275.1124 2.242966  263.6610 2.340383  11.45139       3.241649  
1 1 1 8  3  15 o 92.22125 1.579918  85.13628       2.058481  80.74772       4.116962  89.52486       4.116962  89.84188 2.291227  94.60062 2.175970  -4.758736      3.159836  
1 1 1 8  3  16 o 138.6855 1.475539  192.4775       2.892356  185.0155       5.784712  199.9395       5.784712  135.9953 2.126806  141.3758 2.045864  -5.380508      2.951078  
1 1 1 8  3  17 o 53.03223 4.549288  36.30931       2.592161  4.698292       5.184323  67.92033       5.184323  23.68853 8.537100  82.37594 3.146746  -58.68741      9.098576  
1 1 1 8  3  18 o 66.06646 3.454015  44.18110       3.183021  35.82328       6.366043  52.53891       6.366043  59.74115 5.328022  72.39177 4.396938  -12.65062      6.908031  
1 1 1 8  3  19 o 128.3255 2.435401  165.3742       4.407627  179.4690       8.815253  151.2793       8.815253  133.8173 3.293764  122.8336 3.588290  10.98368       4.870801  
1 1 1 8  3  20 o 26.95709 6.776000  -2.149016      4.483867  -19.72711      8.967733  15.42908       8.967733  15.76891 7.784953  38.14528 11.09284  -22.37636      13.55200  
1 1 1 8  3  21 o 98.02771 4.064239  97.31564       5.632232  94.28033       11.26446  100.3509       11.26446  96.47953 5.837748  99.57590 5.656220  -3.096367      8.128477  
1 1 1 8  3  22 o 40.46808 8.347349  17.74963       5.236737  12.13170       10.47347  23.36757       10.47347  34.91912 12.17811  46.01704 11.41957  -11.09792      16.69470  
1 1 1 8  3  23 o 98.21544 5.085003  100.0746       6.995024  84.59785       13.99005  115.5513       13.99005  90.33647 7.743299  106.0944 6.593206  -15.75794      10.17001  
1 1 1 8  3  24 o 44.98308 16.49297  23.52005       19.42215  23.52005       19.42215  ?              ?         44.98308 16.49297  ?        ?         ?              ?         
1 1 1 8  4  0  o 57.48882 0.9786853 33.07864       1.124540  33.07864       1.124540  33.07864       1.124540  57.48882 0.9786853 57.48882 0.9786853 -0.000000      0.000000  
1 1 1 8  4  1  o 207.8943 1.169858  432.5478       3.435566  408.7896       6.871132  456.3062       6.871132  202.1803 1.699259  213.6083 1.608349  -11.42805      2.339715  
1 1 1 8  4  2  o 179.1127 1.010163  321.2231       2.554041  298.6703       5.108082  343.7758       5.108082  172.8170 1.477887  185.4084 1.377522  -12.59138      2.020326  
1 1 1 8  4  3  o 382.0122 2.135258  1461.235       11.51701  1557.107       23.03402  1365.364       23.03402  394.5605 2.918947  369.4640 3.117221  25.09653       4.270517  
1 1 1 8  4  4  o 707.4745 3.682747  5010.661       36.82870  4830.368       73.65740  5190.955       73.65740  694.7325 5.301134  720.2166 5.113559  -25.48413      7.365495  
1 1 1 8  4  5  o 488.8612 2.557137  2391.112       17.67339  2322.385       35.34678  2459.837       35.34678  481.8320 3.667957  495.8904 3.563972  -14.05838      5.114275  
1 1 1 8  4  6  o 123.0721 0.8833635 151.9940       1.529566  169.7770       3.059131  134.2110       3.059131  130.2968 1.173909  115.8475 1.320326  14.44924       1.766727  
1 1 1 8  4  7  o 316.8950 1.716379  1004.420       7.690712  982.5816       15.38142  1026.258       15.38142  313.4494 2.453574  320.3406 2.400792  -6.891235      3.432759  
1 1 1 8  4  8  o 396.7615 2.134093  1574.385       11.97445  1580.179       23.94890  1568.591       23.94890  397.4916 3.012504  396.0313 3.023612  1.460327       4.268186  
1 1 1 8  4  9  o 511.0311 2.690483  2613.165       19.43168  2721.884       38.86335  2504.447       38.86335  521.6682 3.724911  500.3939 3.883276  21.27429       5.380966  
1 1 1 8  4  10 f 471.6939 2.520861  2227.981       16.78710  2378.794       33.57420  2077.169       33.57420  487.6801 3.442236  455.7076 3.683744  31.97247       5.041722  
1 1 1 8  4  11 f 178.6175 1.206109  320.5274       3.025776  363.7317       6.051552  277.3231       6.051552  190.7116 1.586572  166.5234 1.817027  24.18817       2.412218  
1 1 1 8  4  12 o 109.0909 1.127347  119.0202       1.739226  118.3531       3.478451  119.6873       3.478451  108.7851 1.598772  109.3966 1.589835  -0.6115189     2.254694  
1 1 1 8  4  13 o 450.7214 2.454330  2032.759       15.64350  2009.077       31.28700  2056.441       31.28700  448.0942 3.491118  453.3485 3.450657  -5.254272      4.908660  
1 1 1 8  4  14 f 196.9104 1.349597  388.3857       3.750056  358.7761       7.500113  417.9955       7.500113  189.3918 1.980052  204.4290 1.834406  -15.03717      2.699194  
1 1 1 8  4  15 o 214.9807 1.464279  462.4101       4.450512  475.3852       8.901024  449.4350       8.901024  217.9985 2.041534  211.9630 2.099664  6.035477       2.928558  
1 1 1 8  4  16 o 165.7201 1.516801  274.9883       3.549927  258.3298       7.099854  291.6467       7.099854  160.6940 2.209122  170.7462 2.079067  -10.05217      3.033602  
1 1 1 8  4  17 o 433.6871 2.589035  1883.396       15.87699  1846.896       31.75397  1919.896       31.75397  429.4790 3.696801  437.8952 3.625750  -8.416168      5.178070  
1 1 1 8  4  18 o 172.2433 1.738321  297.2838       4.226557  276.4845       8.453114  318.0829       8.453114  166.2056 2.542969  178.2811 2.370727  -12.07550      3.476642  
1 1 1 8  4  19 o 185.0759 1.955762  343.3470       5.112847  362.6643       10.22569  324.0297       10.22569  190.2947 2.686805  179.8572 2.842726  10.43752       3.911523  
1 1 1 8  4  20 o 85.53887 3.231143  73.64787       3.907302  71.37020       7.814603  75.92554       7.814603  84.20750 4.640087  86.87024 4.497860  -2.662735      6.462287  
1 1 1 8  4  21 o 20.74529 6.730441  -6.018197      4.502927  -5.031842      9.005854  -7.004553      9.005854  21.22885 9.657127  20.26174 9.377379  0.9671116      13.46088  
1 1 1 8  4  22 o 50.54119 7.867168  28.05157       5.479752  25.27357       10.95950  30.82956       10.95950  47.83482 11.56605  53.24756 10.66751  -5.412743      15.73434  
1 1 1 8  4  23 o 51.54273 11.42616  31.45855       9.391820  25.49276       18.78364  37.42433       18.78364  47.21807 16.32405  55.86739 15.99231  -8.649315      22.85233  
1 1 1 8  4  24 o 110.5289 6.397134  130.4372       9.977915  121.1740       19.95583  139.7003       19.95583  106.3385 9.383161  114.7193 8.697678  -8.380760      12.79427  
1 1 1 8  5  0  o 247.3699 2.751472  612.1884       13.60885  612.1884       13.60885  612.1884       13.60885  247.3699 2.751472  247.3699 2.751472  0.000000       0.000000  
1 1 1 8  5  1  o 484.5997 2.573282  2349.823       17.62574  2439.605       35.25148  2260.041       35.25148  493.8632 3.568952  475.3361 3.708059  18.52710       5.146564  
1 1 1 8  5  2  o 375.5101 2.083519  1410.364       11.06433  1399.977       22.12867  1420.752       22.12867  374.1270 2.957374  376.8933 2.935668  -2.766327      4.167038  
1 1 1 8  5  3  o 298.9164 1.643448  893.6379       6.947372  893.7619       13.89474  893.5140       13.89474  298.9371 2.324025  298.8957 2.324347  0.4144287E-01  3.286896  
1 1 1 8  5  4  o 750.2346 3.898773  5633.795       41.36021  5528.222       82.72043  5739.369       82.72043  743.1986 5.565164  757.2707 5.461748  -14.07208      7.797547  
1 1 1 8  5  5  o 296.1609 1.618415  880.7439       6.737713  769.5287       13.47543  991.9591       13.47543  277.3848 2.429013  314.9370 2.139384  -37.55228      3.236830  
1 1 1 8  5  6  o 336.0080 1.815004  1129.153       8.624654  1127.390       17.24931  1130.916       17.24931  335.7456 2.568806  336.2703 2.564798  -0.5247192     3.630007  
1 1 1 8  5  7  o 380.3269 2.091303  1448.527       11.22635  1343.997       22.45269  1553.057       22.45269  366.5848 3.062414  394.0690 2.848827  -27.48422      4.182607  
1 1 1 8  5  8  o 541.8051 2.847176  2938.434       21.79035  3102.397       43.58071  2774.470       43.58071  556.9363 3.912539  526.6739 4.137352  30.26245       5.694352  
1 1 1 8  5  9  o 673.0020 3.528952  4536.373       33.52655  4851.439       67.05311  4221.306       67.05311  696.4095 4.814201  649.5945 5.161151  46.81506       7.057904  
1 1 1 8  5  10 o 71.64547 1.086370  51.33337       1.100716  51.65262       2.201431  51.01411       2.201431  71.86827 1.531574  71.42267 1.541129  0.4456024      2.172740  
1 1 1 8  5  11 o 462.3092 2.472351  2138.094       16.16289  2105.159       32.32578  2171.030       32.32578  458.7471 3.523267  465.8713 3.469389  -7.124176      4.944701  
1 1 1 8  5  12 o 71.82083 1.352639  51.74792       1.367556  46.02992       2.735111  57.46592       2.735111  67.84010 2.015852  75.80157 1.804126  -7.961479      2.705278  
1 1 1 8  5  13 o 179.1689 1.316419  322.3000       3.316442  282.5456       6.632883  362.0544       6.632883  168.0747 1.973194  190.2630 1.743083  -22.18823      2.632838  
1 1 1 8  5  14 o 139.6801 1.249761  195.6700       2.458741  215.9689       4.917482  175.3711       4.917482  146.9463 1.673224  132.4139 1.856860  14.53241       2.499521  
1 1 1 8  5  15 o 347.6893 2.028642  1209.801       9.973149  1183.112       19.94630  1236.489       19.94630  343.8513 2.900425  351.5273 2.837091  -7.676025      4.057284  
1 1 1 8  5  16 o 233.2428 1.664634  545.3259       5.474988  497.5043       10.94998  593.1474       10.94998  222.9913 2.455247  243.4942 2.248508  -20.50293      3.329268  
1 1 1 8  5  17 o 128.2418 1.775694  164.6975       3.216377  155.1771       6.432753  174.2180       6.432753  124.5299 2.582815  131.9537 2.437503  -7.423828      3.551388  
1 1 1 8  5  18 f 145.2714 1.759289  211.3183       3.611871  202.2648       7.223743  220.3718       7.223743  142.1553 2.540793  148.3874 2.434082  -6.232132      3.518577  
1 1 1 8  5  19 o 301.1292 2.407432  909.1624       10.24952  933.6163       20.49904  884.7084       20.49904  305.1896 3.358411  297.0688 3.450217  8.120789       4.814865  
1 1 1 8  5  20 o 82.90324 4.200665  69.86922       4.879362  59.04790       9.758724  80.69054       9.758724  76.37677 6.388543  89.42972 5.456086  -13.05295      8.401330  
1 1 1 8  5  21 o 214.0011 2.582219  460.2897       7.814603  455.6009       15.62921  464.9785       15.62921  212.9056 3.670455  215.0966 3.633067  -2.190994      5.164438  
1 1 1 8  5  22 o 73.36140 4.645088  54.99289       4.812652  58.23785       9.625304  51.74792       9.625304  75.57303 6.368213  71.14977 6.764114  4.423256       9.290176  
1 1 1 8  5  23 o 107.0293 5.499326  118.9869       8.319694  114.7794       16.63939  123.1944       16.63939  105.0637 7.918714  108.9949 7.633107  -3.931168      10.99865  
1 1 1 8  5  24 o 23.44581 7.797741  -11.35023      6.713887  -11.30258      13.42777  -11.39789      13.42777  23.46142 11.03288  23.43021 11.02246  0.3120995E-01  15.59548  
1 1 1 8  5  25 o 37.82047 15.16615  15.36237       17.44944  15.36237       17.44944  ?              ?         37.82047 15.16615  ?        ?         ?              ?         
1 1 1 8  6  0  o 297.3776 3.248815  884.7465       19.31732  884.7465       19.31732  884.7465       19.31732  297.3776 3.248815  297.3776 3.248815  0.000000       0.000000  
1 1 1 8  6  1  o 798.8815 4.190539  6387.690       47.33553  6529.187       94.67106  6246.193       94.67106  807.7374 5.860262  790.0256 5.991645  17.71179       8.381079  
1 1 1 8  6  2  o 276.6576 1.521824  767.7562       5.927662  851.2391       11.85532  684.2734       11.85532  291.7454 2.031793  261.5699 2.266187  30.17551       3.043647  
1 1 1 8  6  3  o 734.7249 3.963011  5404.084       41.16485  5246.677       82.32970  5561.491       82.32970  724.0129 5.685652  745.4368 5.522245  -21.42395      7.926023  
1 1 1 8  6  4  o 277.0720 1.515968  769.2715       5.922898  836.8772       11.84580  701.6656       11.84580  289.2720 2.047518  264.8719 2.236137  24.40012       3.031937  
1 1 1 8  6  5  o 291.0597 1.595695  850.3002       6.532818  951.9521       13.06564  748.6485       13.06564  308.5220 2.117456  273.5973 2.387749  34.92471       3.191390  
1 1 1 8  6  6  o 598.2806 3.128801  3583.911       26.43623  3366.960       52.87246  3800.861       52.87246  580.1495 4.556796  616.4119 4.288729  -36.26239      6.257602  
1 1 1 8  6  7  o 708.4772 3.720692  5028.497       37.19561  4640.587       74.39121  5416.406       74.39121  681.1008 5.461101  735.8535 5.054757  -54.75262      7.441384  
1 1 1 8  6  8  o 189.2390 1.131180  358.2471       3.025776  371.4224       6.051552  345.0719       6.051552  192.7201 1.570036  185.7579 1.628881  6.962204       2.262359  
1 1 1 8  6  9  o 377.4865 2.062845  1425.183       11.01192  1440.927       22.02384  1409.440       22.02384  379.5718 2.901143  375.4012 2.933374  4.170624       4.125690  
1 1 1 8  6  10 o 284.4545 1.582497  809.2211       6.366043  807.0959       12.73209  811.3463       12.73209  284.0810 2.240926  284.8281 2.235048  -0.7471008     3.164994  
1 1 1 8  6  11 o 532.5126 2.826648  2837.516       21.28050  2919.117       42.56100  2755.915       42.56100  540.1744 3.939560  524.8508 4.054581  15.32367       5.653296  
1 1 1 8  6  12 o 257.1199 1.532927  663.4170       5.546463  587.3723       11.09293  739.4615       11.09293  242.3321 2.288786  271.9077 2.039833  -29.57559      3.065854  
1 1 1 8  6  13 o 256.7407 1.517710  659.4906       5.508343  681.2618       11.01669  637.7193       11.01669  260.9806 2.110633  252.5007 2.181515  8.479919       3.035421  
1 1 1 8  6  14 o 182.7305 1.351284  334.2363       3.487981  352.7054       6.975962  315.7672       6.975962  187.7841 1.857442  177.6768 1.963104  10.10733       2.702567  
1 1 1 8  6  15 o 270.4183 1.702888  731.8471       6.508993  758.9314       13.01799  704.7629       13.01799  275.4261 2.363245  265.4105 2.452425  10.01569       3.405777  
1 1 1 8  6  16 o 255.3001 1.684288  652.1716       6.080142  638.8057       12.16028  665.5374       12.16028  252.6824 2.406239  257.9178 2.357396  -5.235336      3.368576  
1 1 1 8  6  17 o 290.4048 1.935505  844.0582       7.948023  828.7101       15.89605  859.4062       15.89605  287.7622 2.762011  293.0473 2.712198  -5.285065      3.871011  
1 1 1 8  6  18 o 88.65982 2.494591  79.26104       3.097251  66.54802       6.194502  91.97406       6.194502  81.49027 3.800762  95.82938 3.232048  -14.33910      4.989181  
1 1 1 8  6  19 o 173.8977 1.943745  302.9255       4.779297  309.8014       9.558595  296.0496       9.558595  175.8747 2.717444  171.9207 2.779943  3.954010       3.887491  
1 1 1 8  6  20 o 39.66315 7.849706  16.77281       4.607757  19.30779       9.215513  14.23783       9.215513  42.40007 10.82778  36.92623 11.36797  5.473839       15.69941  
1 1 1 8  6  21 o 142.0119 3.333587  203.3703       6.694828  205.1143       13.38966  201.6263       13.38966  142.6259 4.693976  141.3979 4.734744  1.228058       6.667175  
1 1 1 8  6  22 o 126.3184 3.429438  161.5240       6.118262  171.0159       12.23652  152.0322       12.23652  130.0755 4.703624  122.5612 4.992004  7.514252       6.858876  
1 1 1 8  6  23 o 82.71028 6.715530  72.50903       7.833663  66.66238       15.66733  78.35569       15.66733  79.17586 9.894004  86.24471 9.083066  -7.068848      13.43106  
1 1 1 8  6  24 o 49.14426 8.089504  27.85144       6.175443  11.18822       12.35089  44.51465       12.35089  34.09750 13.00799  64.19101 9.620418  -30.09351      16.17901  
1 1 1 8  7  0  o 367.5144 3.951608  1351.383       29.03792  1351.383       29.03792  1351.383       29.03792  367.5144 3.951608  367.5144 3.951608  -0.000000      0.000000  
1 1 1 8  7  1  o 343.6356 1.860405  1183.293       9.015384  1080.417       18.03077  1286.169       18.03077  328.6668 2.743016  358.6044 2.514019  -29.93762      3.720811  
1 1 1 8  7  2  o 178.6701 1.067071  322.9766       2.649341  253.9842       5.298682  391.9690       5.298682  159.3629 1.662458  197.9773 1.338205  -38.61444      2.134141  
1 1 1 8  7  3  o 198.0941 1.136214  392.4456       3.183021  395.0282       6.366043  389.8629       6.366043  198.7460 1.601553  197.4422 1.612128  1.303757       2.272428  
1 1 1 8  7  4  o 304.8221 1.648508  929.4517       7.104619  905.1216       14.20924  953.7818       14.20924  300.8312 2.361663  308.8130 2.300622  -7.981781      3.297016  
1 1 1 8  7  5  o 355.1619 1.914891  1261.787       9.615773  1230.333       19.23155  1293.241       19.23155  350.7339 2.741616  359.5900 2.674093  -8.856171      3.829782  
1 1 1 8  7  6  o 103.1698 0.8323516 111.8489       1.124540  159.8277       2.249081  63.87009       2.249081  126.4222 0.8895120 79.91751 1.407127  46.50468       1.664703  
1 1 1 8  7  7  o 299.9838 1.661368  902.4628       7.018848  807.5439       14.03770  997.3816       14.03770  284.1632 2.470006  315.8045 2.222530  -31.64133      3.322735  
1 1 1 8  7  8  o 858.9857 4.453991  7382.269       54.10660  7379.968       108.2132  7384.571       108.2132  858.8517 6.299877  859.1197 6.297912  -0.2680054     8.907982  
1 1 1 8  7  9  o 569.6053 2.998509  3245.452       24.15379  3221.361       48.30759  3269.544       48.30759  567.4905 4.256246  571.7201 4.224759  -4.229553      5.997017  
1 1 1 8  7  10 o 332.2652 1.870199  1104.666       8.781898  1057.344       17.56380  1151.987       17.56380  325.1442 2.700924  339.3862 2.587583  -14.24200      3.740398  
1 1 1 8  7  11 o 141.8501 1.116405  201.2308       2.239551  202.3792       4.479102  200.0824       4.479102  142.2549 1.574323  141.4453 1.583334  0.8095703      2.232810  
1 1 1 8  7  12 f 276.7495 1.575971  766.2457       6.165912  789.6943       12.33182  742.7971       12.33182  280.9860 2.194384  272.5131 2.262611  8.472870       3.151941  
1 1 1 8  7  13 o 122.9477 1.227229  151.5938       2.125191  167.3183       4.250381  135.8693       4.250381  129.3425 1.643072  116.5529 1.823370  12.78960       2.454458  
1 1 1 8  7  14 o 201.3441 1.407362  405.5016       4.007367  404.5963       8.014733  406.4070       8.014733  201.1193 1.992532  201.5690 1.988087  -0.4496613     2.814725  
1 1 1 8  7  15 o 299.0530 1.819476  895.1342       7.690712  860.6070       15.38142  929.6614       15.38142  293.2802 2.622309  304.8258 2.522987  -11.54556      3.638951  
1 1 1 8  7  16 f 474.6535 2.659332  2255.961       17.84970  2288.202       35.69939  2223.722       35.69939  478.0497 3.733859  471.2574 3.787675  6.792297       5.318664  
1 1 1 8  7  17 o 85.24798 2.222038  72.85211       2.673166  78.32710       5.346332  67.37712       5.346332  88.45919 3.021920  82.03677 3.258497  6.422424       4.444075  
1 1 1 8  7  18 o 125.7449 1.988239  158.7365       3.521337  175.1996       7.042673  142.2734       7.042673  132.2911 2.661809  119.1987 2.954174  13.09245       3.976477  
1 1 1 8  7  19 o 100.4969 2.565316  101.5517       3.630931  90.96389       7.261863  112.1396       7.261863  95.22920 3.812834  105.7647 3.433028  -10.53548      5.130632  
1 1 1 8  7  20 o 254.1031 2.149741  647.5494       7.724069  634.6602       15.44814  660.4388       15.44814  251.5668 3.070384  256.6393 3.009698  -5.072464      4.299481  
1 1 1 8  7  21 o 138.6832 2.616502  193.4352       5.127142  184.0911       10.25428  202.7794       10.25428  135.3143 3.789063  142.0520 3.609341  -6.737793      5.233005  
1 1 1 8  7  22 o 144.4251 3.453909  211.1563       7.047437  221.9633       14.09487  200.3493       14.09487  148.1665 4.756432  140.6837 5.009421  7.482788       6.907818  
1 1 1 8  7  23 o 53.90824 7.400630  32.20665       5.474988  41.65565       10.94998  22.75765       10.94998  62.99620 8.690980  44.82027 11.98099  18.17593       14.80126  
1 1 1 8  7  24 o 46.36740 15.72245  26.56965       17.39226  26.56965       17.39226  ?              ?         46.36740 15.72245  ?        ?         ?              ?         
1 1 1 8  7  25 o 51.62157 9.000526  33.59326       6.618587  40.58829       13.23717  26.59824       13.23717  57.88881 11.84202  45.35433 13.55745  12.53448       18.00105  
1 1 1 8  8  0  o 92.94874 1.970542  86.51337       3.659522  86.51337       3.659522  86.51337       3.659522  92.94874 1.970542  92.94874 1.970542  0.000000       0.000000  
1 1 1 8  8  1  o 91.11997 1.318420  83.08257       2.401561  83.08257       2.401561  83.08257       2.401561  91.11997 1.318420  91.11997 1.318420  0.000000       0.000000  
1 1 1 8  8  2  f 48.98057 1.325202  24.04420       1.296081  24.04420       1.296081  24.04420       1.296081  48.98057 1.325202  48.98057 1.325202  -0.000000      0.000000  
1 1 1 8  8  3  o 309.9485 3.329230  961.1581       20.63246  961.1581       20.63246  961.1581       20.63246  309.9485 3.329230  309.9485 3.329230  0.000000       0.000000  
1 1 1 8  8  4  o 635.2941 6.651550  4039.387       84.49301  4039.387       84.49301  4039.387       84.49301  635.2941 6.651550  635.2941 6.651550  0.000000       0.000000  
1 1 1 8  8  5  o 400.6861 4.234651  1606.311       33.92681  1606.311       33.92681  1606.311       33.92681  400.6861 4.234651  400.6861 4.234651  0.000000       0.000000  
1 1 1 8  8  6  o 275.9776 3.037898  761.9619       16.76328  761.9619       16.76328  761.9619       16.76328  275.9776 3.037898  275.9776 3.037898  0.000000       0.000000  
1 1 1 8  8  7  o 750.2927 7.810913  5633.291       117.1809  5633.291       117.1809  5633.291       117.1809  750.2927 7.810913  750.2927 7.810913  0.000000       0.000000  
1 1 1 8  8  8  o 65.74330 1.997230  43.34246       2.620751  43.34246       2.620751  43.34246       2.620751  65.74330 1.997230  65.74330 1.997230  0.000000       0.000000  
1 1 1 8  8  9  o 564.9032 6.052040  3193.181       68.35872  3193.181       68.35872  3193.181       68.35872  564.9032 6.052040  564.9032 6.052040  0.000000       0.000000  
1 1 1 8  8  10 o 72.76128 2.349860  53.11071       3.411741  53.11071       3.411741  53.11071       3.411741  72.76128 2.349860  72.76128 2.349860  0.000000       0.000000  
1 1 1 8  8  11 o 17.53653 8.203732  4.517222       3.192551  4.517222       3.192551  4.517222       3.192551  17.53653 8.203732  17.53653 8.203732  0.000000       0.000000  
1 1 1 8  8  12 o 214.2337 2.636582  459.2413       11.29305  459.2413       11.29305  459.2413       11.29305  214.2337 2.636582  214.2337 2.636582  0.000000       0.000000  
1 1 1 8  8  13 o 169.3346 2.736763  287.0247       9.263164  287.0247       9.263164  287.0247       9.263164  169.3346 2.736763  169.3346 2.736763  0.000000       0.000000  
1 1 1 8  8  14 o 85.04351 3.107522  72.63769       5.270092  72.63769       5.270092  72.63769       5.270092  85.04351 3.107522  85.04351 3.107522  -0.000000      0.000000  
1 1 1 8  8  15 o 133.2801 3.013727  177.9728       8.024263  177.9728       8.024263  177.9728       8.024263  133.2801 3.013727  133.2801 3.013727  0.000000       0.000000  
1 1 1 8  8  16 o 62.00798 5.251830  39.32080       6.423223  39.32080       6.423223  39.32080       6.423223  62.00798 5.251830  62.00798 5.251830  0.000000       0.000000  
1 1 1 8  8  17 o 100.4232 4.028261  101.4278       8.062383  101.4278       8.062383  101.4278       8.062383  100.4232 4.028261  100.4232 4.028261  0.000000       0.000000  
1 1 1 8  8  18 o 196.2932 3.437257  386.0223       13.48496  386.0223       13.48496  386.0223       13.48496  196.2932 3.437257  196.2932 3.437257  0.000000       0.000000  
1 1 1 8  8  19 o 72.80143 8.107116  55.30262       11.55036  55.30262       11.55036  55.30262       11.55036  72.80143 8.107116  72.80143 8.107116  -0.000000      0.000000  
1 1 1 8  8  20 o 43.00236 14.34401  24.22527       10.95950  24.22527       10.95950  24.22527       10.95950  43.00236 14.34401  43.00236 14.34401  0.000000       0.000000  
1 1 1 8  8  21 o 92.26196 7.176568  87.47591       13.08470  87.47591       13.08470  87.47591       13.08470  92.26196 7.176568  92.26196 7.176568  0.000000       0.000000  
1 1 1 8  8  22 o 146.4965 7.493371  219.2473       21.83324  219.2473       21.83324  219.2473       21.83324  146.4965 7.493371  146.4965 7.493371  0.000000       0.000000  
1 1 1 8  8  23 o 40.09454 20.18705  26.98897       19.76523  26.98897       19.76523  26.98897       19.76523  40.09454 20.18705  40.09454 20.18705  0.000000       0.000000  
1 1 1 8  8  24 o 20.27027 14.17280  -12.91316      20.12737  -12.91316      20.12737  -12.91316      20.12737  20.27027 14.17280  20.27027 14.17280  0.000000       0.000000  
1 1 1 9  0  1  o 585.6288 6.519194  3432.193       76.33533  3432.193       76.33533  3432.193       76.33533  585.6288 6.519194  585.6288 6.519194  0.000000       0.000000  
1 1 1 9  0  2  o 536.4445 6.473949  2880.196       69.43561  2880.196       69.43561  2880.196       69.43561  536.4445 6.473949  536.4445 6.473949  -0.000000      0.000000  
1 1 1 9  0  3  o 523.6359 5.881980  2744.165       61.58288  2744.165       61.58288  2744.165       61.58288  523.6359 5.881980  523.6359 5.881980  0.000000       0.000000  
1 1 1 9  0  4  o 494.6226 5.194766  2448.258       51.37625  2448.258       51.37625  2448.258       51.37625  494.6226 5.194766  494.6226 5.194766  0.000000       0.000000  
1 1 1 9  0  5  o 63.14862 1.321786  39.93072       1.667751  39.93072       1.667751  39.93072       1.667751  63.14862 1.321786  63.14862 1.321786  0.000000       0.000000  
1 1 1 9  0  6  f 131.1689 1.664388  172.1405       4.364742  172.1405       4.364742  172.1405       4.364742  131.1689 1.664388  131.1689 1.664388  -0.000000      0.000000  
1 1 1 9  0  7  o 540.4008 5.658723  2921.890       61.14450  2921.890       61.14450  2921.890       61.14450  540.4008 5.658723  540.4008 5.658723  0.000000       0.000000  
1 1 1 9  0  8  o 97.96747 2.015540  96.10056       3.945422  96.10056       3.945422  96.10056       3.945422  97.96747 2.015540  97.96747 2.015540  0.000000       0.000000  
1 1 1 9  0  9  o 963.9396 9.977894  9301.008       192.3155  9301.008       192.3155  9301.008       192.3155  963.9396 9.977894  963.9396 9.977894  0.000000       0.000000  
1 1 1 9  0  10 o 355.9617 3.939325  1267.719       28.03727  1267.719       28.03727  1267.719       28.03727  355.9617 3.939325  355.9617 3.939325  -0.000000      0.000000  
1 1 1 9  0  11 o 522.6650 5.534344  2733.739       57.83760  2733.739       57.83760  2733.739       57.83760  522.6650 5.534344  522.6650 5.534344  -0.000000      0.000000  
1 1 1 9  0  12 o 163.7525 2.486320  268.3649       8.138623  268.3649       8.138623  268.3649       8.138623  163.7525 2.486320  163.7525 2.486320  0.000000       0.000000  
1 1 1 9  0  13 o 154.1406 2.524042  237.8212       7.776483  237.8212       7.776483  237.8212       7.776483  154.1406 2.524042  154.1406 2.524042  0.000000       0.000000  
1 1 1 9  0  14 o 370.1393 4.253389  1371.310       31.47760  1371.310       31.47760  1371.310       31.47760  370.1393 4.253389  370.1393 4.253389  -0.000000      0.000000  
1 1 1 9  0  15 o 300.9810 3.593331  906.7322       21.62358  906.7322       21.62358  906.7322       21.62358  300.9810 3.593331  300.9810 3.593331  0.000000       0.000000  
1 1 1 9  0  16 o 280.1683 3.612068  785.7583       20.23220  785.7583       20.23220  785.7583       20.23220  280.1683 3.612068  280.1683 3.612068  0.000000       0.000000  
1 1 1 9  0  17 o 25.06616 12.17356  9.339403       7.090323  9.339403       7.090323  9.339403       7.090323  25.06616 12.17356  25.06616 12.17356  0.000000       0.000000  
1 1 1 9  0  18 o 13.31880 9.200193  -4.898422      7.757423  -4.898422      7.757423  -4.898422      7.757423  13.31880 9.200193  13.31880 9.200193  0.000000       0.000000  
1 1 1 9  0  19 o 67.11129 7.061759  46.74467       9.291754  46.74467       9.291754  46.74467       9.291754  67.11129 7.061759  67.11129 7.061759  -0.000000      0.000000  
1 1 1 9  0  20 o 30.75681 15.59184  14.49514       11.83626  14.49514       11.83626  14.49514       11.83626  30.75681 15.59184  30.75681 15.59184  0.000000       0.000000  
1 1 1 9  0  21 o 71.03991 15.65227  59.00979       19.43168  59.00979       19.43168  59.00979       19.43168  71.03991 15.65227  71.03991 15.65227  0.000000       0.000000  
1 1 1 9  0  22 o 87.83540 14.35900  85.37930       23.50099  85.37930       23.50099  85.37930       23.50099  87.83540 14.35900  87.83540 14.35900  -0.000000      0.000000  
1 1 1 9  0  23 o 17.75602 12.12508  -5.136672      12.73209  -5.136672      12.73209  -5.136672      12.73209  17.75602 12.12508  17.75602 12.12508  0.000000       0.000000  
1 1 1 9  0  24 o 29.49977 17.73469  12.68444       18.44056  12.68444       18.44056  12.68444       18.44056  29.49977 17.73469  29.49977 17.73469  0.000000       0.000000  
1 1 1 9  1  0  o 403.8387 4.261782  1631.661       34.41285  1631.661       34.41285  1631.661       34.41285  403.8387 4.261782  403.8387 4.261782  0.000000       0.000000  
1 1 1 9  1  1  o 171.9180 1.066616  296.3784       2.582631  327.2889       5.165262  265.4678       5.165262  180.9080 1.427594  162.9281 1.585135  17.97983       2.133232  
1 1 1 9  1  2  o 103.6291 0.8669720 107.8368       1.262725  121.6410       2.525451  94.03255       2.525451  110.2895 1.144919  96.96872 1.302199  13.32078       1.733944  
1 1 1 9  1  3  o 510.8327 2.887906  2611.540       20.85165  2512.128       41.70330  2710.953       41.70330  501.1023 4.161156  520.5632 4.005595  -19.46088      5.775812  
1 1 1 9  1  4  o 632.8781 3.301916  4010.002       29.52872  3822.609       59.05743  4197.395       59.05743  618.0732 4.777544  647.6829 4.559132  -29.60962      6.603833  
1 1 1 9  1  5  o 150.9828 0.9508654 230.5117       1.996536  182.3471       3.993072  278.6764       3.993072  135.0324 1.478561  166.9331 1.196009  -31.90076      1.901731  
1 1 1 9  1  6  o 82.11984 0.7241487 68.85428       0.8148154 49.30824       1.629631  88.40032       1.629631  70.21892 1.160393  94.02077 0.8666334 -23.80185      1.448297  
1 1 1 9  1  7  o 425.6042 2.252312  1812.059       13.55167  1755.875       27.10333  1868.243       27.10333  419.0036 3.234260  432.2047 3.135474  -13.20108      4.504623  
1 1 1 9  1  8  o 729.4388 3.789672  5323.341       39.08731  5213.303       78.17462  5433.379       78.17462  721.8961 5.414534  736.9814 5.303703  -15.08533      7.579343  
1 1 1 9  1  9  o 303.2833 1.676286  920.2265       7.185624  956.0594       14.37125  884.3939       14.37125  309.1908 2.324009  297.3759 2.416344  11.81497       3.352572  
1 1 1 9  1  10 o 670.0226 3.523868  4494.383       33.35501  4733.725       66.71003  4255.042       66.71003  687.8832 4.848935  652.1619 5.114530  35.72137       7.047737  
1 1 1 9  1  11 o 394.8236 2.143901  1559.309       11.96968  1583.810       23.93937  1534.807       23.93937  397.9265 3.008014  391.7208 3.055668  6.205719       4.287803  
1 1 1 9  1  12 o 461.4984 2.513400  2131.452       16.39637  2205.919       32.79274  2056.985       32.79274  469.5664 3.491811  453.4304 3.616073  16.13599       5.026801  
1 1 1 9  1  13 o 173.4171 1.245017  301.0290       3.049601  318.3307       6.099203  283.7273       6.099203  178.4055 1.709365  168.4286 1.810620  9.976944       2.490035  
1 1 1 9  1  14 o 304.1418 1.762751  925.4348       7.581119  941.4786       15.16224  909.3912       15.16224  306.7794 2.471195  301.5043 2.514431  5.275085       3.525503  
1 1 1 9  1  15 o 131.5532 1.393340  173.1173       2.592161  174.5801       5.184323  171.6544       5.184323  132.1092 1.962135  130.9972 1.978791  1.112000       2.786681  
1 1 1 9  1  16 f 51.36845 3.202739  27.20816       2.225256  36.28072       4.450512  18.13560       4.450512  60.19933 3.696480  42.53758 5.231270  17.66175       6.405478  
1 1 1 9  1  17 o 272.0281 1.785334  740.5766       6.866368  720.3921       13.73274  760.7611       13.73274  268.3181 2.559041  275.7381 2.490178  -7.420013      3.570668  
1 1 1 9  1  18 o 109.7052 2.160444  120.5546       3.349797  125.4244       6.699593  115.6847       6.699593  111.9247 2.992903  107.4856 3.116506  4.439011       4.320888  
1 1 1 9  1  19 o 78.99671 3.326863  62.69313       3.716702  62.51683       7.433403  62.86944       7.433403  78.88512 4.711537  79.10830 4.698245  -0.2231750     6.653727  
1 1 1 9  1  20 o 123.5775 2.759912  153.7380       4.807887  139.6050       9.615773  167.8710       9.615773  117.8592 4.079348  129.2958 3.718519  -11.43655      5.519824  
1 1 1 9  1  21 o 20.51501 6.754778  -8.920084      4.826947  -4.536282      9.653894  -13.30389      9.653894  22.37665 10.11500  18.65336 8.955155  3.723289       13.50956  
1 1 1 9  1  22 o 110.8150 4.088318  124.8335       6.404162  120.5736       12.80832  129.0934       12.80832  108.8929 5.881155  112.7371 5.680616  -3.844162      8.176636  
1 1 1 9  1  23 o 64.32451 7.469867  45.85361       6.394632  31.42042       12.78926  60.28680       12.78926  52.66893 12.34355  75.98009 8.416195  -23.31116      14.93973  
1 1 1 9  1  24 o 56.84506 10.11881  39.14926       8.233924  31.41089       16.46785  46.88762       16.46785  50.61524 15.11993  63.07489 13.45174  -12.45964      20.23763  
1 1 1 9  2  0  o 251.6440 2.700899  633.5070       13.58979  633.5070       13.58979  633.5070       13.58979  251.6440 2.700899  251.6440 2.700899  -0.000000      0.000000  
1 1 1 9  2  1  o 560.4203 2.952080  3143.062       23.38187  3013.330       46.76373  3272.794       46.76373  548.8458 4.260189  571.9948 4.087776  -23.14899      5.904161  
1 1 1 9  2  2  o 371.0299 2.218339  1379.849       11.60278  1252.700       23.20556  1506.999       23.20556  353.8952 3.278592  388.1646 2.989140  -34.26932      4.436679  
1 1 1 9  2  3  o 433.6851 2.400967  1881.542       14.72386  1847.248       29.44771  1915.836       29.44771  429.7313 3.426294  437.6388 3.364385  -7.907562      4.801935  
1 1 1 9  2  4  o 258.8537 1.437695  672.3655       5.236737  594.9486       10.47347  749.7826       10.47347  243.8999 2.147085  273.8075 1.912562  -29.90761      2.875390  
1 1 1 9  2  5  o 249.9684 1.380120  625.6687       4.869832  581.7972       9.739664  669.5399       9.739664  241.1930 2.019060  258.7438 1.882106  -17.55078      2.760240  
1 1 1 9  2  6  o 219.9019 1.244660  484.9200       3.854887  434.3299       7.709774  535.5100       7.709774  208.3990 1.849762  231.4048 1.665863  -23.00575      2.489321  
1 1 1 9  2  7  o 161.0250 0.9865358 260.5741       2.230021  224.1743       4.460042  296.9740       4.460042  149.7224 1.489437  172.3275 1.294060  -22.60510      1.973072  
1 1 1 9  2  8  o 553.1041 2.916567  3060.656       22.80530  3155.975       45.61060  2965.337       45.61060  561.7209 4.059899  544.4874 4.188398  17.23352       5.833135  
1 1 1 9  2  9  o 329.4358 1.799300  1085.477       8.381639  1106.395       16.76328  1064.559       16.76328  332.6107 2.519955  326.2610 2.568998  6.349731       3.598600  
1 1 1 9  2  10 o 417.0455 2.258420  1740.560       13.30865  1657.763       26.61730  1823.357       26.61730  407.1189 3.268984  426.9720 3.116984  -19.85318      4.516840  
1 1 1 9  2  11 o 214.2291 1.286810  459.4177       3.893007  431.0421       7.786013  487.7932       7.786013  207.6064 1.875187  220.8518 1.762723  -13.24545      2.573620  
1 1 1 9  2  12 o 271.1042 1.603627  735.6115       6.142087  773.7601       12.28417  697.4628       12.28417  278.1400 2.208271  264.0685 2.325945  14.07156       3.207255  
1 1 1 9  2  13 o 198.4047 1.311067  393.7178       3.678581  390.3966       7.357163  397.0391       7.357163  197.5677 1.861934  199.2417 1.846291  -1.673981      2.622134  
1 1 1 9  2  14 f 122.0059 1.348159  149.1255       2.320556  161.0475       4.641112  137.2035       4.641112  126.8918 1.828768  117.1201 1.981348  9.771698       2.696318  
1 1 1 9  2  15 o 265.3562 1.689999  704.7915       6.337452  735.8021       12.67490  673.7808       12.67490  271.1994 2.336824  259.5130 2.442056  11.68643       3.379997  
1 1 1 9  2  16 o 205.4167 1.524927  422.3317       4.426687  403.6052       8.853374  441.0581       8.853374  200.8585 2.203883  209.9748 2.108199  -9.116348      3.049853  
1 1 1 9  2  17 o 357.8417 2.315055  1282.057       11.71237  1246.963       23.42475  1317.151       23.42475  352.9381 3.318535  362.7453 3.228816  -9.807190      4.630111  
1 1 1 9  2  18 o 163.8805 1.789335  269.4847       4.131257  296.5261       8.262513  242.4433       8.262513  172.1308 2.400068  155.6301 2.654535  16.50067       3.578671  
1 1 1 9  2  19 o 88.63434 2.778807  78.95608       3.473686  85.65568       6.947372  72.25649       6.947372  92.41368 3.758845  84.85500 4.093674  7.558685       5.557614  
1 1 1 9  2  20 o 225.2452 2.115463  508.7688       6.737713  518.7753       13.47543  498.7623       13.47543  227.4664 2.962069  223.0239 3.021072  4.442520       4.230925  
1 1 1 9  2  21 o 39.42928 8.738278  16.33442       5.498813  12.72255       10.99763  19.94630       10.99763  36.00788 12.48665  42.85066 12.22757  -6.842777      17.47656  
1 1 1 9  2  22 f 143.7818 3.052436  208.6642       6.204032  215.7497       12.40806  201.5786       12.40806  146.2458 4.242197  141.3177 4.390130  4.928009       6.104873  
1 1 1 9  2  23 o 86.93970 5.563014  78.57488       6.833013  74.68664       13.66603  82.46312       13.66603  84.70352 8.066976  89.17587 7.662402  -4.472343      11.12603  
1 1 1 9  2  24 o 58.44583 9.371382  40.48346       7.938493  25.59759       15.87699  55.36932       15.87699  46.06664 15.02193  70.82502 11.20860  -24.75838      18.74276  
1 1 1 9  3  0  o 74.84704 1.203931  56.06501       1.801171  56.06501       1.801171  56.06501       1.801171  74.84704 1.203931  74.84704 1.203931  -0.000000      0.000000  
1 1 1 9  3  1  o 750.3245 3.908135  5646.575       41.32210  5097.228       82.64420  6195.923       82.64420  713.7171 5.789703  786.9318 5.251040  -73.21466      7.816270  
1 1 1 9  3  2  o 412.7115 2.174913  1703.679       12.69396  1693.148       25.38793  1714.209       25.38793  411.4357 3.085285  413.9872 3.066270  -2.551544      4.349827  
1 1 1 9  3  3  o 203.6801 1.216458  415.3986       3.497512  386.2987       6.995024  444.4985       6.995024  196.5365 1.779573  210.8236 1.658975  -14.28705      2.432916  
1 1 1 9  3  4  o 332.4561 1.794082  1108.897       8.395933  985.7550       16.79187  1232.039       16.79187  313.9361 2.674409  350.9761 2.392167  -37.04004      3.588164  
1 1 1 9  3  5  o 761.8522 3.948105  5808.428       42.53717  5773.858       85.07435  5842.999       85.07435  759.5834 5.600067  764.1210 5.566811  -4.537659      7.896210  
1 1 1 9  3  6  o 449.3383 2.407780  2019.908       15.29566  2078.484       30.59131  1961.332       30.59131  455.8563 3.355368  442.8202 3.454146  13.03607       4.815560  
1 1 1 9  3  7  o 84.59807 0.9083596 71.58462       1.086420  69.52138       2.172841  73.64787       2.172841  83.37863 1.302996  85.81750 1.265966  -2.438873      1.816719  
1 1 1 9  3  8  f 703.6418 3.662365  4955.130       36.41891  5168.102       72.83781  4742.159       72.83781  718.7753 5.066800  688.5083 5.289538  30.26703       7.324731  
1 1 1 9  3  9  o 546.1948 2.873557  2984.073       22.19538  3017.047       44.39076  2951.099       44.39076  549.2133 4.041304  543.1763 4.086220  6.036987       5.747115  
1 1 1 9  3  10 f 796.7628 4.154091  6354.892       46.77802  6092.560       93.55605  6617.225       93.55605  780.3004 5.994874  813.2252 5.752162  -32.92480      8.308182  
1 1 1 9  3  11 o 340.8438 1.902057  1162.008       9.167863  1176.651       18.33573  1147.365       18.33573  342.9919 2.672910  338.6958 2.706814  4.296082       3.804115  
1 1 1 9  3  12 o 406.3062 2.217107  1652.117       12.73209  1717.516       25.46417  1586.717       25.46417  414.3543 3.072753  398.2581 3.196943  16.09613       4.434215  
1 1 1 9  3  13 o 134.8363 1.196307  182.2756       2.272906  164.3544       4.545812  200.1968       4.545812  128.1908 1.773065  141.4819 1.606500  -13.29106      2.392614  
1 1 1 9  3  14 o 91.50850 1.439673  83.75921       1.863116  83.63531       3.726231  83.88309       3.726231  91.44080 2.037510  91.57619 2.034498  -0.1353836     2.879345  
1 1 1 9  3  15 o 170.1934 1.387869  290.0314       3.335501  271.8052       6.671002  308.2575       6.671002  164.8388 2.023493  175.5479 1.900052  -10.70908      2.775738  
1 1 1 9  3  16 o 36.38457 4.391381  14.46178       2.082306  22.19538       4.164612  6.728183       4.164612  47.07300 4.423568  25.69614 7.587421  21.37686       8.782763  
1 1 1 9  3  17 o 252.2593 1.836705  636.7996       6.551878  646.2296       13.10376  627.3698       13.10376  254.1284 2.578176  250.3902 2.616667  3.738190       3.673409  
1 1 1 9  3  18 o 102.4009 2.077900  105.1541       3.001951  113.5309       6.003902  96.77718       6.003902  106.4911 2.818969  98.31065 3.053536  8.180473       4.155799  
1 1 1 9  3  19 o 67.59007 3.815520  47.53566       3.459391  64.63248       6.918783  30.43883       6.918783  80.23751 4.311439  54.94263 6.296370  25.29488       7.631041  
1 1 1 9  3  20 o 158.2079 2.487166  251.3443       5.560757  262.3324       11.12151  240.3562       11.12151  161.6806 3.439348  154.7352 3.593725  6.945358       4.974331  
1 1 1 9  3  21 o 143.6871 3.063846  207.9876       6.223093  215.1017       12.44619  200.8734       12.44619  146.1626 4.257649  141.2115 4.406931  4.951141       6.127693  
1 1 1 9  3  22 o 170.7098 2.690144  293.8815       6.480402  316.1007       12.96080  271.6623       12.96080  177.2177 3.656747  164.2019 3.946606  13.01576       5.380288  
1 1 1 9  3  23 o 51.63577 9.842721  30.68185       8.057619  14.08535       16.11524  47.27835       16.11524  38.72958 14.83432  64.54196 12.94061  -25.81238      19.68544  
1 1 1 9  3  24 o 132.9240 7.259726  192.3393       13.64697  193.0397       27.29393  191.6388       27.29393  133.1875 10.24643  132.6605 10.28713  0.5269623      14.51945  
1 1 1 9  3  25 o 55.85300 14.52332  40.14038       16.37255  40.14038       16.37255  ?              ?         55.85300 14.52332  ?        ?         ?              ?         
1 1 1 9  4  0  f 168.5835 1.942380  284.3277       6.547113  284.3277       6.547113  284.3277       6.547113  168.5835 1.942380  168.5835 1.942380  0.000000       0.000000  
1 1 1 9  4  1  o 412.6071 2.184672  1702.916       12.74638  1672.763       25.49276  1733.069       25.49276  408.9531 3.116832  416.2610 3.062112  -7.307922      4.369344  
1 1 1 9  4  2  o 541.4141 2.824764  2934.564       21.60452  2775.099       43.20904  3094.030       43.20904  526.6873 4.101963  556.1409 3.884721  -29.45355      5.649527  
1 1 1 9  4  3  o 327.9771 1.786398  1076.662       8.276809  1018.643       16.55362  1134.680       16.55362  319.1322 2.593536  336.8221 2.457324  -17.68982      3.572796  
1 1 1 9  4  4  o 518.8730 2.719151  2693.555       19.95106  2649.675       39.90213  2737.436       39.90213  514.6445 3.876669  523.1015 3.813995  -8.456970      5.438301  
1 1 1 9  4  5  o 536.9792 2.819093  2886.548       21.38533  3040.777       42.77066  2732.319       42.77066  551.3400 3.878791  522.6184 4.091959  28.72156       5.638186  
1 1 1 9  4  6  o 757.2725 3.943352  5739.859       42.20839  5522.514       84.41678  5957.205       84.41678  742.9219 5.681403  771.6230 5.470078  -28.70111      7.886704  
1 1 1 9  4  7  o 1126.758 5.807312  12706.02       92.53634  12614.20       185.0727  12797.84       185.0727  1122.683 8.242425  1130.833 8.183028  -8.149170      11.61462  
1 1 1 9  4  8  o 513.4304 2.711802  2637.162       19.68422  2560.893       39.36845  2713.431       39.36845  506.0031 3.890139  520.8578 3.779194  -14.85474      5.423605  
1 1 1 9  4  9  o 427.9984 2.297394  1832.234       13.90427  1802.000       27.80855  1862.468       27.80855  424.4664 3.275707  431.5305 3.222084  -7.064026      4.594789  
1 1 1 9  4  10 o 465.2497 2.476108  2165.512       16.28678  2227.962       32.57355  2103.062       32.57355  471.9612 3.450872  458.5383 3.551890  13.42288       4.952216  
1 1 1 9  4  11 o 207.2360 1.326987  430.9753       3.869182  380.7618       7.738363  481.1890       7.738363  195.1209 1.982966  219.3511 1.763922  -24.23016      2.653973  
1 1 1 9  4  12 o 124.5755 1.128257  155.4915       1.982241  142.1781       3.964482  168.8050       3.964482  119.2319 1.662508  129.9190 1.525752  -10.68703      2.256513  
1 1 1 9  4  13 o 70.11117 1.681148  49.71803       1.639161  39.33033       3.278321  60.10574       3.278321  62.70314 2.614161  77.51919 2.114522  -14.81604      3.362297  
1 1 1 9  4  14 o 249.4106 1.561865  623.3718       5.494047  570.4088       10.98809  676.3348       10.98809  238.7930 2.300757  260.0283 2.112865  -21.23526      3.123729  
1 1 1 9  4  15 o 140.6167 1.356434  197.8095       2.696991  201.9408       5.393982  193.6783       5.393982  142.0857 1.898144  139.1477 1.938222  2.937958       2.712868  
1 1 1 9  4  16 o 273.3753 1.722802  748.0101       6.656708  777.3052       13.31342  718.7148       13.31342  278.7334 2.388199  268.0173 2.483686  10.71613       3.445605  
1 1 1 9  4  17 o 170.6386 1.575956  291.3513       3.802472  285.2997       7.604944  297.4028       7.604944  168.8654 2.251776  172.4118 2.205458  -3.546417      3.151911  
1 1 1 9  4  18 o 90.39989 2.434502  81.87703       3.111546  84.06416       6.223093  79.68989       6.223093  91.60960 3.396529  89.19019 3.488665  2.419403       4.869003  
1 1 1 9  4  19 f 182.4795 1.948870  333.6216       5.027077  345.1863       10.05415  322.0569       10.05415  185.6483 2.707850  179.3108 2.803556  6.337524       3.897740  
1 1 1 9  4  20 o 19.83187 6.129465  -6.108732      3.716702  3.764351       7.433403  -15.98182      7.433403  25.17108 9.965918  14.49267 7.138756  10.67842       12.25893  
1 1 1 9  4  21 o 112.2051 4.102324  128.3406       6.442283  149.2970       12.88457  107.3841       12.88457  121.5435 5.300391  102.8666 6.262755  18.67694       8.204648  
1 1 1 9  4  22 f 39.54850 8.791924  15.56250       6.051552  4.755472       12.10310  26.36952       12.10310  30.44448 12.46780  48.65253 12.39942  -18.20805      17.58385  
1 1 1 9  4  23 o 33.22726 9.306836  8.376874       6.537583  10.43535       13.07517  6.318392       13.07517  34.59941 13.33377  31.85512 12.98766  2.744295       18.61367  
1 1 1 9  4  24 o 69.47285 11.03450  59.88654       10.59260  56.47480       21.18520  63.29829       21.18520  67.08023 15.99383  71.86546 15.20653  -4.785233      22.06901  
1 1 1 9  5  0  o 121.0091 1.516557  146.5048       3.669051  146.5048       3.669051  146.5048       3.669051  121.0091 1.516557  121.0091 1.516557  -0.000000      0.000000  
1 1 1 9  5  1  o 564.9861 2.968941  3196.968       23.68206  3411.379       47.36412  2982.558       47.36412  583.9610 4.055418  546.0113 4.337284  37.94971       5.937882  
1 1 1 9  5  2  o 293.4353 1.646675  861.1931       6.833013  850.9341       13.66603  871.4521       13.66603  291.6872 2.342582  295.1834 2.314837  -3.496185      3.293351  
1 1 1 9  5  3  o 295.2065 1.651753  871.6761       6.894957  887.6246       13.78991  855.7277       13.78991  297.9078 2.314461  292.5053 2.357208  5.402466       3.303507  
1 1 1 9  5  4  o 496.8743 2.613449  2470.153       18.35955  2535.305       36.71910  2405.001       36.71910  503.4305 3.646889  490.3181 3.744416  13.11230       5.226897  
1 1 1 9  5  5  o 399.1654 2.131716  1595.499       12.01257  1704.422       24.02514  1486.576       24.02514  412.8093 2.909956  385.5215 3.115927  27.28775       4.263432  
1 1 1 9  5  6  o 209.6607 1.196380  439.7763       3.545162  422.0363       7.090323  457.5164       7.090323  205.4301 1.725727  213.8914 1.657459  -8.461319      2.392761  
1 1 1 9  5  7  o 821.9756 4.261636  6760.775       49.52267  6558.282       99.04533  6963.269       99.04533  809.6581 6.116491  834.2930 5.935884  -24.63495      8.523273  
1 1 1 9  5  8  o 351.7693 1.901326  1237.542       9.458529  1230.095       18.91706  1244.990       18.91706  350.7107 2.696960  352.8279 2.680777  -2.117218      3.802651  
1 1 1 9  5  9  o 809.1525 4.212443  6553.036       48.17893  6311.207       96.35786  6794.864       96.35786  794.2091 6.066278  824.0958 5.846279  -29.88666      8.424887  
1 1 1 9  5  10 o 64.73828 1.199205  42.08450       1.091185  47.44989       2.182371  36.71910       2.182371  68.88219 1.584133  60.59438 1.800803  8.287819       2.398410  
1 1 1 9  5  11 o 558.6630 2.985420  3122.620       23.58676  3133.741       47.17352  3111.499       47.17352  559.6583 4.214493  557.6676 4.229537  1.990723       5.970840  
1 1 1 9  5  12 o 246.0550 1.477745  605.5984       5.141437  617.4298       10.28287  593.7669       10.28287  248.4593 2.069328  243.6508 2.110167  4.808472       2.955490  
1 1 1 9  5  13 o 271.9058 1.640123  739.7427       6.304098  764.7924       12.60820  714.6931       12.60820  276.5121 2.279864  267.2995 2.358440  9.212585       3.280247  
1 1 1 9  5  14 o 195.4558 1.397046  382.5725       3.854887  408.7133       7.709774  356.4317       7.709774  202.1429 1.907011  188.7686 2.042123  13.37430       2.794093  
1 1 1 9  5  15 o 162.6660 1.474850  264.7006       3.392681  267.3643       6.785362  262.0370       6.785362  163.4847 2.075229  161.8472 2.096225  1.637497       2.949701  
1 1 1 9  5  16 o 230.8203 1.715202  533.0607       5.598877  530.6021       11.19775  535.5195       11.19775  230.2877 2.431253  231.3529 2.420059  -1.065231      3.430405  
1 1 1 9  5  17 o 78.89534 2.388574  64.29893       2.539746  86.54196       5.079492  42.05590       5.079492  92.99188 2.731148  64.79879 3.919434  28.19309       4.777147  
1 1 1 9  5  18 o 246.1797 2.247819  607.0517       7.824133  592.6138       15.64827  621.4897       15.64827  243.2473 3.216534  249.1121 3.140808  -5.864807      4.495639  
1 1 1 9  5  19 o 54.91264 5.326295  31.47284       3.907302  23.03402       7.814603  39.91165       7.814603  46.90508 8.655312  62.92019 6.209933  -16.01512      10.65259  
1 1 1 9  5  20 f 36.90598 5.340838  12.52242       3.678581  31.49666       7.357163  -6.451812      7.357163  55.76016 6.597150  18.05180 8.400941  37.70836       10.68168  
1 1 1 9  5  21 o 129.5827 3.447169  170.6395       6.246917  199.6250       12.49383  141.6540       12.49383  140.7669 4.437775  118.3985 5.276178  22.36835       6.894338  
1 1 1 9  5  22 o 159.7238 3.125809  258.1916       7.033143  284.2324       14.06629  232.1509       14.06629  167.8756 4.189497  151.5720 4.640133  16.30360       6.251618  
1 1 1 9  5  23 o 52.91265 7.894326  31.00110       7.066498  61.73536       14.13300  0.2668401      14.13300  76.46911 9.240984  29.35619 12.80179  47.11292       15.78865  
1 1 1 9  5  24 o 112.7948 4.848168  132.5004       7.733598  132.4861       15.46720  132.5147       15.46720  112.7884 6.856731  112.8011 6.855959  -0.1268005E-01 9.696336  
1 1 1 9  6  0  o 89.71835 1.317781  80.54759       2.363441  80.54759       2.363441  80.54759       2.363441  89.71835 1.317781  89.71835 1.317781  0.000000       0.000000  
1 1 1 9  6  1  o 135.9698 0.9556178 190.6239       1.753521  125.4816       3.507041  255.7662       3.507041  112.0151 1.565433  159.9245 1.096468  -47.90943      1.911236  
1 1 1 9  6  2  o 244.4255 1.354350  597.6981       4.679232  575.8505       9.358463  619.5456       9.358463  239.9563 1.950035  248.8947 1.880005  -8.938324      2.708700  
1 1 1 9  6  3  o 372.6387 2.005610  1394.816       10.50206  1576.005       21.00413  1213.627       21.00413  396.9504 2.645687  348.3271 3.015001  48.62332       4.011220  
1 1 1 9  6  4  f 207.3180 1.166951  430.6466       3.411741  467.9708       6.823483  393.3223       6.823483  216.3197 1.577175  198.3163 1.720353  18.00337       2.333902  
1 1 1 9  6  5  o 568.5873 2.982686  3238.510       23.93460  3477.937       47.86921  2999.083       47.86921  589.6418 4.059177  547.5327 4.371356  42.10907       5.965373  
1 1 1 9  6  6  o 812.5717 4.216658  6607.228       48.44578  6452.746       96.89156  6761.708       96.89156  803.0660 6.032602  822.0774 5.893092  -19.01135      8.433316  
1 1 1 9  6  7  f 612.6012 3.237535  3755.555       28.02774  3921.702       56.05548  3589.409       56.05548  626.1619 4.476117  599.0405 4.678772  27.12140       6.475070  
1 1 1 9  6  8  o 460.8363 2.465834  2125.529       16.05329  2238.560       32.10658  2012.498       32.10658  473.0999 3.393214  448.5727 3.578749  24.52722       4.931668  
1 1 1 9  6  9  o 377.3481 2.058759  1424.798       10.97856  1361.971       21.95713  1487.624       21.95713  369.0234 2.975032  385.6729 2.846600  -16.64948      4.117517  
1 1 1 9  6  10 o 572.8763 3.029140  3283.677       24.53500  3198.650       49.06999  3368.704       49.06999  565.4553 4.338980  580.2974 4.228004  -14.84210      6.058280  
1 1 1 9  6  11 o 697.7303 3.660459  4872.233       36.11871  4901.614       72.23743  4842.853       72.23743  699.8359 5.161026  695.6249 5.192269  4.210999       7.320919  
1 1 1 9  6  12 o 326.1467 1.833895  1064.096       8.457878  1080.998       16.91576  1047.195       16.91576  328.7378 2.572834  323.5557 2.614041  5.182159       3.667790  
1 1 1 9  6  13 o 458.5898 2.525730  2105.131       16.37255  2029.605       32.74509  2180.656       32.74509  450.3553 3.635474  466.8243 3.507218  -16.46902      5.051460  
1 1 1 9  6  14 o 66.78374 1.834541  45.24846       1.696341  55.83630       3.392681  34.66063       3.392681  74.71070 2.270546  58.85679 2.882149  15.85391       3.669082  
1 1 1 9  6  15 o 476.0551 2.744753  2269.042       18.47868  2281.111       36.95736  2256.972       36.95736  477.3228 3.871316  474.7874 3.891989  2.535370       5.489505  
1 1 1 9  6  16 o 175.9300 1.564160  310.3398       3.878712  281.1542       7.757423  339.5255       7.757423  167.6353 2.313780  184.2247 2.105425  -16.58936      3.128320  
1 1 1 9  6  17 o 168.6971 1.572189  284.7803       3.750056  278.1046       7.500113  291.4561       7.500113  166.7185 2.249335  170.6757 2.197182  -3.957245      3.144379  
1 1 1 9  6  18 o 164.4772 1.795342  271.0857       4.169377  288.7782       8.338754  253.3933       8.338754  169.8556 2.454660  159.0988 2.620621  10.75679       3.590684  
1 1 1 9  6  19 o 131.2536 2.298647  172.9696       4.255147  158.2838       8.510294  187.6553       8.510294  125.6592 3.386261  136.8480 3.109397  -11.18883      4.597294  
1 1 1 9  6  20 o 102.7980 3.053160  106.3120       4.436216  110.3384       8.872433  102.2855       8.872433  104.7564 4.234792  100.8396 4.399282  3.916832       6.106320  
1 1 1 9  6  21 o 110.2540 3.563766  123.1419       5.527402  137.5751       11.05480  108.7087       11.05480  116.7994 4.732389  103.7086 5.329746  13.09086       7.127531  
1 1 1 9  6  22 o 34.48599 8.746149  11.15010       5.508343  14.60950       11.01669  7.690712       11.01669  37.41607 12.51316  31.55592 12.22298  5.860149       17.49230  
1 1 1 9  6  23 o 37.29833 8.352001  13.10852       5.746593  0.2382501      11.49319  25.97879       11.49319  26.74693 11.60297  47.84973 12.01644  -21.10280      16.70400  
1 1 1 9  6  24 f 74.68256 6.745665  60.38687       7.109383  64.59437       14.21877  56.17937       14.21877  77.49947 9.173460  71.86564 9.892604  5.633835       13.49133  
1 1 1 9  7  0  f 72.46191 1.507327  52.57703       2.182371  52.57703       2.182371  52.57703       2.182371  72.46191 1.507327  72.46191 1.507327  -0.000000      0.000000  
1 1 1 9  7  1  o 318.2361 1.781183  1022.731       7.900373  1222.156       15.80075  823.3065       15.80075  349.5690 2.260033  286.9033 2.753671  62.66571       3.562366  
1 1 1 9  7  2  o 459.6324 2.427005  2113.664       15.77216  2059.958       31.54431  2167.371       31.54431  453.7901 3.475650  465.4747 3.388402  -11.68460      4.854010  
1 1 1 9  7  3  o 208.2845 1.215736  434.4490       3.573751  466.4556       7.147503  402.4425       7.147503  215.9679 1.654761  200.6011 1.781521  15.36674       2.431471  
1 1 1 9  7  4  o 186.4729 1.068504  349.0555       2.801821  391.8357       5.603642  306.2753       5.603642  197.9438 1.415463  175.0021 1.601022  22.94177       2.137008  
1 1 1 9  7  5  o 894.0930 4.618790  8001.620       58.39034  8184.129       116.7807  7819.111       116.7807  904.2994 6.456969  883.8865 6.606090  20.41284       9.237579  
1 1 1 9  7  6  o 220.7772 1.311229  487.5168       4.093137  499.0768       8.186274  475.9570       8.186274  223.3952 1.832241  218.1592 1.876216  5.236008       2.622459  
1 1 1 9  7  7  o 385.6622 2.068292  1488.930       11.26446  1396.927       22.52893  1580.932       22.52893  373.7343 3.014030  397.5901 2.833186  -23.85580      4.136583  
1 1 1 9  7  8  o 650.0793 3.400617  4227.291       31.26317  4252.745       62.52635  4201.836       62.52635  652.0371 4.794693  648.1215 4.823660  3.915649       6.801234  
1 1 1 9  7  9  o 272.4286 1.580624  742.2348       6.089673  745.0081       12.17935  739.4615       12.17935  272.9376 2.231160  271.9196 2.239512  1.017944       3.161248  
1 1 1 9  7  10 o 497.2002 2.647735  2472.898       18.61686  2449.716       37.23373  2496.080       37.23373  494.8690 3.761979  499.5314 3.726866  -4.662445      5.295471  
1 1 1 9  7  11 o 292.9638 1.741261  867.1873       7.104619  1040.495       14.20924  693.8796       14.20924  322.5422 2.202694  263.3854 2.697423  59.15677       3.482521  
1 1 1 9  7  12 o 540.7959 2.884191  2926.917       22.05719  2892.852       44.11439  2960.982       44.11439  537.6464 4.102547  543.9454 4.055038  -6.299072      5.768381  
1 1 1 9  7  13 o 219.8707 1.396191  484.6293       4.326622  438.5803       8.653244  530.6783       8.653244  209.3989 2.066210  230.3426 1.878342  -20.94365      2.792382  
1 1 1 9  7  14 o 347.8230 2.039575  1210.701       10.03033  1181.063       20.06066  1240.339       20.06066  343.5624 2.919507  352.0835 2.848849  -8.521088      4.079150  
1 1 1 9  7  15 o 48.78399 3.059669  23.83454       2.110896  23.84407       4.221792  23.82501       4.221792  48.79376 4.326160  48.77422 4.327892  0.1953888E-01  6.119339  
1 1 1 9  7  16 o 175.1298 1.487251  306.8423       3.683347  309.9539       7.366693  303.7308       7.366693  176.0181 2.092595  174.2414 2.113933  1.776703       2.974503  
1 1 1 9  7  17 o 178.9778 1.518422  320.9181       3.835827  297.8126       7.671653  344.0236       7.671653  172.5229 2.223372  185.4326 2.068583  -12.90971      3.036844  
1 1 1 9  7  18 o 64.24399 3.534704  41.55558       3.197316  37.08125       6.394632  46.02992       6.394632  60.76168 5.262060  67.72629 4.720938  -6.964603      7.069408  
1 1 1 9  7  19 o 44.30019 5.377324  20.53716       3.221142  25.86443       6.442283  15.20989       6.442283  50.64027 6.360830  37.96011 8.671926  12.68016       10.75465  
1 1 1 9  7  20 o 160.0406 2.187844  256.9384       4.950837  262.7136       9.901674  251.1633       9.901674  161.8449 3.059001  158.2363 3.128762  3.608582       4.375688  
1 1 1 9  7  21 o 90.54922 3.417936  82.87292       4.364742  89.92512       8.729484  75.82070       8.729484  94.44335 4.621545  86.65511 5.036912  7.788246       6.835873  
1 1 1 9  7  22 o 74.32599 6.651772  57.68035       6.990257  56.31279       13.98051  59.04790       13.98051  73.40601 9.522732  75.24596 9.289879  -1.839943      13.30354  
1 1 1 9  7  23 o 24.28512 7.762859  -13.78038      6.432753  -32.76415      12.86551  5.203382       12.86551  17.60661 8.795993  30.96362 12.79369  -13.35701      15.52572  
1 1 1 9  7  24 o 85.82409 5.479183  79.31822       6.385102  55.11201       12.77020  103.5244       12.77020  71.72186 8.902590  99.92632 6.389811  -28.20445      10.95837  
1 1 1 9  8  0  f 237.7468 2.736592  565.5200       13.00846  565.5200       13.00846  565.5200       13.00846  237.7468 2.736592  237.7468 2.736592  -0.000000      0.000000  
1 1 1 9  8  1  o 294.0052 1.683206  876.2838       6.856837  1077.929       13.71367  674.6385       13.71367  328.2981 2.088601  259.7125 2.640165  68.58560       3.366411  
1 1 1 9  8  2  o 665.1290 3.468387  4427.664       32.61644  4311.660       65.23287  4543.667       65.23287  656.4086 4.968923  673.8495 4.840315  -17.44086      6.936775  
1 1 1 9  8  3  o 227.4291 1.284093  519.5759       4.102666  450.6834       8.205333  588.4682       8.205333  212.2832 1.932639  242.5750 1.691298  -30.29182      2.568187  
1 1 1 9  8  4  o 528.8607 2.967383  2798.643       22.18585  2884.589       44.37170  2712.697       44.37170  536.9863 4.131548  520.7351 4.260487  16.25122       5.934766  
1 1 1 9  8  5  o 370.6821 2.002287  1377.505       10.45918  1243.685       20.91836  1511.325       20.91836  352.6315 2.966037  388.7326 2.690584  -36.10110      4.004575  
1 1 1 9  8  6  o 526.1389 2.775083  2769.333       20.64199  2850.462       41.28398  2688.205       41.28398  533.8487 3.866637  518.4291 3.981642  15.41962       5.550167  
1 1 1 9  8  7  o 364.4553 1.969857  1329.965       10.13516  1420.895       20.27032  1239.034       20.27032  376.9302 2.688869  351.9805 2.879466  24.94971       3.939714  
1 1 1 9  8  8  o 693.1449 3.620913  4806.529       35.48973  4718.791       70.97946  4894.267       70.97946  686.8159 5.167285  699.4739 5.073775  -12.65796      7.241825  
1 1 1 9  8  9  o 280.7742 1.605264  790.2518       6.351747  713.9689       12.70349  866.5347       12.70349  267.1898 2.377242  294.3586 2.157827  -27.16879      3.210529  
1 1 1 9  8  10 o 67.88779 1.333097  47.44036       1.224606  63.21251       2.449211  31.66820       2.449211  79.50414 1.540304  56.27145 2.176247  23.23269       2.666193  
1 1 1 9  8  11 o 242.0583 1.445796  586.6337       4.941307  548.2135       9.882613  625.0539       9.882613  234.1222 2.110567  249.9945 1.976566  -15.87228      2.891593  
1 1 1 9  8  12 o 147.1275 1.195464  216.4978       2.487331  218.3324       4.974662  214.6633       4.974662  147.7510 1.683462  146.5041 1.697790  1.246902       2.390927  
1 1 1 9  8  13 o 629.1643 3.348945  3964.082       29.79079  4064.623       59.58158  3863.540       59.58158  637.1544 4.675600  621.1743 4.795883  15.98016       6.697890  
1 1 1 9  8  14 o 340.6489 1.992905  1161.803       9.591949  1104.175       19.18390  1219.431       19.18390  332.1903 2.887486  349.1075 2.747564  -16.91711      3.985810  
1 1 1 9  8  15 o 212.9429 1.474692  453.6043       4.440981  452.9134       8.881963  454.2953       8.881963  212.7806 2.087117  213.1051 2.083940  -0.3244629     2.949384  
1 1 1 9  8  16 o 435.6571 2.462873  1902.432       15.14794  1773.810       30.29588  2031.053       30.29588  420.8953 3.598981  450.4189 3.363079  -29.52362      4.925745  
1 1 1 9  8  17 o 131.2416 1.630290  172.5407       3.021011  161.2572       6.042023  183.8242       6.042023  126.9429 2.379820  135.5404 2.228865  -8.597519      3.260580  
1 1 1 9  8  18 o 316.3039 2.107157  1001.951       9.425174  1014.850       18.85035  989.0524       18.85035  318.3429 2.960699  314.2649 2.999118  4.077972       4.214314  
1 1 1 9  8  19 o 152.0756 2.020690  231.6887       4.345681  233.9997       8.691362  229.3777       8.691362  152.8354 2.843373  151.3158 2.871929  1.519653       4.041379  
1 1 1 9  8  20 o 149.1325 2.278120  223.6596       4.788827  202.7890       9.577654  244.5304       9.577654  142.1351 3.369207  156.1299 3.067208  -13.99475      4.556240  
1 1 1 9  8  21 o 35.26654 8.575400  11.72667       5.370157  6.184973       10.74031  17.26837       10.74031  30.40304 11.99764  40.13004 12.25588  -9.726999      17.15080  
1 1 1 9  8  22 o 81.60143 5.755220  69.21642       6.575703  80.07109       13.15141  58.36175       13.15141  88.25246 7.451013  74.95040 8.773405  13.30206       11.51044  
1 1 1 9  8  24 o 51.50792 14.60827  32.78321       15.74357  32.78321       15.74357  ?              ?         51.50792 14.60827  ?        ?         ?              ?         
1 1 1 9  9  0  o 25.61572 3.751481  6.823483       1.848821  6.823483       1.848821  6.823483       1.848821  25.61572 3.751481  25.61572 3.751481  -0.000000      0.000000  
1 1 1 9  9  1  o 170.1339 2.115289  289.6073       7.195153  289.6073       7.195153  289.6073       7.195153  170.1339 2.115289  170.1339 2.115289  0.000000       0.000000  
1 1 1 9  9  2  o 87.06028 1.325207  75.84930       2.306261  75.84930       2.306261  75.84930       2.306261  87.06028 1.325207  87.06028 1.325207  -0.000000      0.000000  
1 1 1 9  9  3  o 213.0222 2.582184  454.0189       10.99763  454.0189       10.99763  454.0189       10.99763  213.0222 2.582184  213.0222 2.582184  0.000000       0.000000  
1 1 1 9  9  4  o 582.8743 6.162231  3399.839       71.81811  3399.839       71.81811  3399.839       71.81811  582.8743 6.162231  582.8743 6.162231  0.000000       0.000000  
1 1 1 9  9  5  o 76.26298 1.594824  58.23785       2.430151  58.23785       2.430151  58.23785       2.430151  76.26298 1.594824  76.26298 1.594824  0.000000       0.000000  
1 1 1 9  9  6  o 556.7498 5.886375  3101.359       65.52830  3101.359       65.52830  3101.359       65.52830  556.7498 5.886375  556.7498 5.886375  -0.000000      0.000000  
1 1 1 9  9  7  o 390.2964 4.239976  1524.029       33.08818  1524.029       33.08818  1524.029       33.08818  390.2964 4.239976  390.2964 4.239976  0.000000       0.000000  
1 1 1 9  9  8  o 503.7757 5.354912  2539.269       53.93982  2539.269       53.93982  2539.269       53.93982  503.7757 5.354912  503.7757 5.354912  0.000000       0.000000  
1 1 1 9  9  9  o 594.7454 6.301293  3539.596       74.93442  3539.596       74.93442  3539.596       74.93442  594.7454 6.301293  594.7454 6.301293  0.000000       0.000000  
1 1 1 9  9  10 o 777.1084 8.089690  6045.663       125.7007  6045.663       125.7007  6045.663       125.7007  777.1084 8.089690  777.1084 8.089690  0.000000       0.000000  
1 1 1 9  9  11 o 63.73229 2.997344  40.89325       3.802472  40.89325       3.802472  40.89325       3.802472  63.73229 2.997344  63.73229 2.997344  0.000000       0.000000  
1 1 1 9  9  12 o 66.32912 2.907128  44.25734       3.840591  44.25734       3.840591  44.25734       3.840591  66.32912 2.907128  66.32912 2.907128  0.000000       0.000000  
1 1 1 9  9  13 o 128.1090 3.042635  164.4402       7.786013  164.4402       7.786013  164.4402       7.786013  128.1090 3.042635  128.1090 3.042635  0.000000       0.000000  
1 1 1 9  9  14 o 203.5144 2.838964  414.5456       11.55036  414.5456       11.55036  414.5456       11.55036  203.5144 2.838964  203.5144 2.838964  0.000000       0.000000  
1 1 1 9  9  15 o 330.5674 3.965299  1093.901       26.20751  1093.901       26.20751  1093.901       26.20751  330.5674 3.965299  330.5674 3.965299  0.000000       0.000000  
1 1 1 9  9  16 o 212.9809 3.212148  454.1523       13.67556  454.1523       13.67556  454.1523       13.67556  212.9809 3.212148  212.9809 3.212148  0.000000       0.000000  
1 1 1 9  9  17 o 398.0023 4.794071  1587.060       38.14860  1587.060       38.14860  1587.060       38.14860  398.0023 4.794071  398.0023 4.794071  0.000000       0.000000  
1 1 1 9  9  18 o 104.4095 4.315012  109.7380       8.977263  109.7380       8.977263  109.7380       8.977263  104.4095 4.315012  104.4095 4.315012  0.000000       0.000000  
1 1 1 9  9  19 o 192.1103 3.731102  370.0786       14.32360  370.0786       14.32360  370.0786       14.32360  192.1103 3.731102  192.1103 3.731102  0.000000       0.000000  
1 1 1 9  9  20 o 77.41684 9.211144  63.28875       13.92334  63.28875       13.92334  63.28875       13.92334  77.41684 9.211144  77.41684 9.211144  -0.000000      0.000000  
1 1 1 9  9  21 o 126.7049 6.279356  163.0298       15.82934  163.0298       15.82934  163.0298       15.82934  126.7049 6.279356  126.7049 6.279356  0.000000       0.000000  
1 1 1 9  9  22 o 27.22623 16.14246  9.911204       14.93352  9.911204       14.93352  9.911204       14.93352  27.22623 16.14246  27.22623 16.14246  0.000000       0.000000  
1 1 1 9  9  23 o 123.1650 8.782950  157.8073       21.41392  157.8073       21.41392  157.8073       21.41392  123.1650 8.782950  123.1650 8.782950  0.000000       0.000000  
1 1 1 10 0  0  o 452.0024 6.777689  2044.919       61.23980  2044.919       61.23980  2044.919       61.23980  452.0024 6.777689  452.0024 6.777689  0.000000       0.000000  
1 1 1 10 0  1  o 1131.171 19.09035  12856.17       431.6139  12856.17       431.6139  12856.17       431.6139  1131.171 19.09035  1131.171 19.09035  0.000000       0.000000  
1 1 1 10 0  2  o 552.2880 6.168840  3052.775       68.12047  3052.775       68.12047  3052.775       68.12047  552.2880 6.168840  552.2880 6.168840  0.000000       0.000000  
1 1 1 10 0  3  o 115.9975 1.639766  134.6399       3.802472  134.6399       3.802472  134.6399       3.802472  115.9975 1.639766  115.9975 1.639766  -0.000000      0.000000  
1 1 1 10 0  4  o 181.4233 2.125456  329.2997       7.709774  329.2997       7.709774  329.2997       7.709774  181.4233 2.125456  181.4233 2.125456  0.000000       0.000000  
1 1 1 10 0  5  o 333.1041 3.635833  1110.141       24.21574  1110.141       24.21574  1110.141       24.21574  333.1041 3.635833  333.1041 3.635833  0.000000       0.000000  
1 1 1 10 0  6  o 636.6849 6.655730  4056.579       84.73127  4056.579       84.73127  4056.579       84.73127  636.6849 6.655730  636.6849 6.655730  0.000000       0.000000  
1 1 1 10 0  7  o 40.35161 2.066200  16.41067       1.658221  16.41067       1.658221  16.41067       1.658221  40.35161 2.066200  40.35161 2.066200  -0.000000      0.000000  
1 1 1 10 0  8  o 672.5659 7.024892  4526.371       94.47093  4526.371       94.47093  4526.371       94.47093  672.5659 7.024892  672.5659 7.024892  0.000000       0.000000  
1 1 1 10 0  9  o 211.8816 2.627620  449.1682       11.13105  449.1682       11.13105  449.1682       11.13105  211.8816 2.627620  211.8816 2.627620  0.000000       0.000000  
1 1 1 10 0  10 o 172.4457 2.280525  297.5458       7.862253  297.5458       7.862253  297.5458       7.862253  172.4457 2.280525  172.4457 2.280525  0.000000       0.000000  
1 1 1 10 0  11 f 381.1283 4.184420  1453.459       31.88739  1453.459       31.88739  1453.459       31.88739  381.1283 4.184420  381.1283 4.184420  -0.000000      0.000000  
1 1 1 10 0  12 o 384.3991 4.282762  1478.723       32.91663  1478.723       32.91663  1478.723       32.91663  384.3991 4.282762  384.3991 4.282762  0.000000       0.000000  
1 1 1 10 0  13 o 272.2127 3.214868  741.5010       17.49709  741.5010       17.49709  741.5010       17.49709  272.2127 3.214868  272.2127 3.214868  0.000000       0.000000  
1 1 1 10 0  14 o 91.31033 3.118174  83.69249       5.679882  83.69249       5.679882  83.69249       5.679882  91.31033 3.118174  91.31033 3.118174  0.000000       0.000000  
1 1 1 10 0  15 o 308.2672 3.805361  951.2659       23.45334  951.2659       23.45334  951.2659       23.45334  308.2672 3.805361  308.2672 3.805361  0.000000       0.000000  
1 1 1 10 0  16 o 266.7453 3.490079  712.2725       18.61210  712.2725       18.61210  712.2725       18.61210  266.7453 3.490079  266.7453 3.490079  0.000000       0.000000  
1 1 1 10 0  17 f 77.66018 4.767785  61.05873       7.347633  61.05873       7.347633  61.05873       7.347633  77.66018 4.767785  77.66018 4.767785  -0.000000      0.000000  
1 1 1 10 0  18 o 48.95655 9.300984  26.42670       8.176744  26.42670       8.176744  26.42670       8.176744  48.95655 9.300984  48.95655 9.300984  0.000000       0.000000  
1 1 1 10 0  19 o 52.69195 8.887596  29.90515       8.653244  29.90515       8.653244  29.90515       8.653244  52.69195 8.887596  52.69195 8.887596  0.000000       0.000000  
1 1 1 10 0  20 o 102.3979 7.752267  107.5652       15.69592  107.5652       15.69592  107.5652       15.69592  102.3979 7.752267  102.3979 7.752267  0.000000       0.000000  
1 1 1 10 0  21 o 31.76645 18.45297  14.27595       18.87894  14.27595       18.87894  14.27595       18.87894  31.76645 18.45297  31.76645 18.45297  0.000000       0.000000  
1 1 1 10 0  22 o 31.09505 17.08570  14.99070       15.06694  14.99070       15.06694  14.99070       15.06694  31.09505 17.08570  31.09505 17.08570  0.000000       0.000000  
1 1 1 10 0  23 o 61.01585 16.16546  46.53501       17.00153  46.53501       17.00153  46.53501       17.00153  61.01585 16.16546  61.01585 16.16546  0.000000       0.000000  
1 1 1 10 0  24 o 24.94024 16.75808  -2.010831      22.86248  -2.010831      22.86248  -2.010831      22.86248  24.94024 16.75808  24.94024 16.75808  0.000000       0.000000  
1 1 1 10 1  0  o 298.5459 3.221712  891.7033       19.23155  891.7033       19.23155  891.7033       19.23155  298.5459 3.221712  298.5459 3.221712  -0.000000      0.000000  
1 1 1 10 1  1  o 381.9788 2.044495  1461.360       11.02145  1569.906       22.04290  1352.813       22.04290  396.1873 2.781878  367.7704 2.996829  28.41696       4.088989  
1 1 1 10 1  2  o 403.9187 2.557774  1633.891       14.58567  1744.200       29.17134  1523.581       29.17134  417.5736 3.492958  390.2638 3.737388  27.30984       5.115547  
1 1 1 10 1  3  o 419.7918 2.290874  1763.270       13.59455  1703.822       27.18910  1822.718       27.18910  412.7111 3.293963  426.8724 3.184687  -14.16132      4.581749  
1 1 1 10 1  4  o 380.4717 2.019830  1448.246       10.86420  1492.799       21.72841  1403.693       21.72841  386.3266 2.812181  374.6168 2.900085  11.70987       4.039660  
1 1 1 10 1  5  o 470.9949 2.490792  2220.157       16.57744  2323.158       33.15488  2117.157       33.15488  481.9293 3.439808  460.0606 3.603317  21.86865       4.981583  
1 1 1 10 1  6  o 556.4547 2.912468  3097.751       22.91490  3025.748       45.82979  3169.755       45.82979  549.9847 4.166460  562.9246 4.070686  -12.93982      5.824936  
1 1 1 10 1  7  o 330.4064 1.784216  1092.029       8.333988  1058.031       16.66798  1126.027       16.66798  325.2615 2.562243  335.5513 2.483670  -10.28983      3.568432  
1 1 1 10 1  8  o 443.1795 2.352387  1965.268       14.73339  2049.685       29.46677  1880.851       29.46677  452.7035 3.254533  433.6555 3.397486  19.04797       4.704774  
1 1 1 10 1  9  o 184.2441 1.154156  344.9433       2.935241  258.7491       5.870482  431.1374       5.870482  160.8528 1.824799  207.6354 1.413652  -46.78258      2.308312  
1 1 1 10 1  10 o 845.3004 4.394723  7155.894       52.47697  7547.344       104.9539  6764.444       104.9539  868.4549 6.042567  822.1459 6.382927  46.30902       8.789447  
1 1 1 10 1  11 o 544.6588 2.905255  2974.366       22.30497  2697.220       44.60995  3251.513       44.60995  519.2166 4.295890  570.1010 3.912460  -50.88446      5.810509  
1 1 1 10 1  12 o 576.4089 3.054437  3325.123       24.89713  3281.885       49.79427  3368.361       49.79427  572.6583 4.347642  580.1595 4.291429  -7.501221      6.108875  
1 1 1 10 1  13 o 150.0258 1.186217  225.1606       2.515921  218.3705       5.031842  231.9508       5.031842  147.7628 1.702675  152.2888 1.652072  -4.525986      2.372435  
1 1 1 10 1  14 o 313.5754 1.825406  984.0349       8.090974  948.2448       16.18195  1019.825       16.18195  307.8687 2.628060  319.2822 2.534114  -11.41348      3.650813  
1 1 1 10 1  15 o 227.6812 1.516513  519.8475       4.865067  468.4855       9.730133  571.2094       9.730133  216.4018 2.248163  238.9606 2.035929  -22.55873      3.033026  
1 1 1 10 1  16 o 85.23369 1.946608  72.73776       2.344381  69.24500       4.688762  76.23051       4.688762  83.18476 2.818282  87.28262 2.685966  -4.097855      3.893215  
1 1 1 10 1  17 o 335.0978 2.119931  1124.059       10.04462  1100.020       20.08925  1148.099       20.08925  331.5109 3.029953  338.6847 2.965774  -7.173859      4.239862  
1 1 1 10 1  18 o 133.1739 1.920841  177.7346       3.611871  189.3040       7.223743  166.1651       7.223743  137.5176 2.626479  128.8302 2.803591  8.687454       3.841681  
1 1 1 10 1  19 o 110.6868 2.426247  123.2325       3.778647  137.4989       7.557293  108.9661       7.557293  117.1313 3.225992  104.2423 3.624868  12.88900       4.852494  
1 1 1 10 1  20 o 61.76566 5.415949  41.13626       4.245616  58.47610       8.491233  23.79642       8.491233  76.11718 5.577738  47.41413 9.285411  28.70304       10.83190  
1 1 1 10 1  21 o 160.8871 2.218095  259.8308       5.046137  254.9753       10.09227  264.6863       10.09227  159.3781 3.166142  162.3961 3.107302  -3.017975      4.436190  
1 1 1 10 1  22 o 59.38805 7.734134  38.07236       6.318392  32.44013       12.63678  43.70460       12.63678  54.15146 11.98651  64.62465 9.777063  -10.47319      15.46827  
1 1 1 10 1  23 o 80.49763 5.793569  68.11571       6.508993  80.26170       13.01799  55.96971       13.01799  88.04195 7.393058  72.95332 8.922133  15.08863       11.58714  
1 1 1 10 1  24 o 34.34457 13.71841  10.09227       14.19971  10.09227       14.19971  ?              ?         34.34457 13.71841  ?        ?         ?              ?         
1 1 1 10 2  0  o 308.2254 3.333937  950.4750       20.54669  950.4750       20.54669  950.4750       20.54669  308.2254 3.333937  308.2254 3.333937  0.000000       0.000000  
1 1 1 10 2  1  o 500.8215 2.666286  2509.083       18.88370  2483.071       37.76740  2535.095       37.76740  498.2245 3.790199  503.4185 3.751095  -5.193909      5.332572  
1 1 1 10 2  2  o 473.1620 2.788027  2239.794       18.65498  2210.961       37.30996  2268.627       37.30996  470.1151 3.968173  476.2088 3.917395  -6.093689      5.576055  
1 1 1 10 2  3  o 235.8680 1.388823  563.3995       4.545812  688.2473       9.091624  438.5517       9.091624  262.3336 1.732836  209.4024 2.170851  52.93123       2.777646  
1 1 1 10 2  4  o 250.7250 1.387531  628.8993       4.917482  651.6140       9.834964  606.1844       9.834964  255.2548 1.926499  246.1952 1.997392  9.059631       2.775063  
1 1 1 10 2  5  o 440.9359 2.329413  1944.874       14.52373  1981.841       29.04745  1907.907       29.04745  445.1277 3.262822  436.7440 3.325455  8.383728       4.658826  
1 1 1 10 2  6  o 306.0518 1.697284  938.6769       7.323808  854.1266       14.64762  1023.227       14.64762  292.2388 2.506104  319.8649 2.289657  -27.62613      3.394567  
1 1 1 10 2  7  o 450.1304 2.392486  2026.965       15.22418  1961.742       30.44836  2092.188       30.44836  442.8854 3.437499  457.3753 3.328598  -14.48984      4.784973  
1 1 1 10 2  8  o 449.4757 2.396543  2020.584       15.23371  2016.425       30.46742  2024.745       30.46742  449.0130 3.392711  449.9385 3.385732  -0.9255371     4.793086  
1 1 1 10 2  9  o 226.7620 1.336142  515.0920       4.274207  473.1742       8.548413  557.0096       8.548413  217.5194 1.964978  236.0047 1.811069  -18.48532      2.672285  
1 1 1 10 2  10 o 262.4071 1.499839  690.2391       5.546463  756.7300       11.09293  623.7482       11.09293  275.0765 2.016335  249.7377 2.220915  25.33881       2.999679  
1 1 1 10 2  11 o 61.60884 1.544158  38.26297       1.329435  31.49666       2.658871  45.02927       2.658871  56.11750 2.369021  67.10019 1.981269  -10.98269      3.088315  
1 1 1 10 2  12 o 254.0284 1.500130  645.4243       5.389217  646.5440       10.77843  644.3045       10.77843  254.2488 2.119663  253.8080 2.123344  0.4407959      3.000260  
1 1 1 10 2  13 o 132.6375 1.260393  178.6161       2.311026  135.3356       4.622052  221.8966       4.622052  116.3221 1.986747  148.9528 1.551515  -32.63067      2.520786  
1 1 1 10 2  14 o 189.4407 1.363747  359.2001       3.649991  377.6454       7.299983  340.7548       7.299983  194.3091 1.878446  184.5724 1.977539  9.736725       2.727494  
1 1 1 10 2  15 o 152.4141 1.390704  232.3939       2.997186  236.8968       5.994372  227.8910       5.994372  153.8913 1.947600  150.9369 1.985721  2.954407       2.781409  
1 1 1 10 2  16 o 156.1159 1.476244  243.8156       3.259262  243.1866       6.518523  244.4446       6.518523  155.9144 2.090417  156.3173 2.085029  -0.4028778     2.952488  
1 1 1 10 2  17 o 426.9134 2.667186  1826.454       16.08665  1921.449       32.17329  1731.459       32.17329  438.0392 3.672422  415.7876 3.868958  22.25159       5.334372  
1 1 1 10 2  18 o 111.5090 2.027841  124.5095       3.197316  121.8697       6.394632  127.1493       6.394632  110.3254 2.898079  112.6927 2.837199  -2.367355      4.055683  
1 1 1 10 2  19 o 100.1974 2.764606  101.8662       3.850122  123.4326       7.700243  80.29981       7.700243  110.9593 3.469849  89.43542 4.304919  21.52391       5.529212  
1 1 1 10 2  20 o 98.75392 3.049359  98.62126       4.221792  83.76874       8.443583  113.4738       8.443583  91.23397 4.627434  106.2739 3.972558  -15.03991      6.098718  
1 1 1 10 2  21 o 65.63039 4.647956  44.18110       4.250381  35.61362       8.500763  52.74857       8.500763  59.10332 7.191442  72.15746 5.890427  -13.05413      9.295912  
1 1 1 10 2  22 o 125.0342 4.171868  158.9938       7.376224  161.4573       14.75245  156.5303       14.75245  126.0193 5.853247  124.0491 5.946213  1.970261       8.343737  
1 1 1 10 2  23 o 35.96891 9.897564  7.890843       7.928963  21.07084       15.85793  -5.289153      15.85793  43.45219 15.00120  28.48563 12.91554  14.96656       19.79513  
1 1 1 10 3  0  o 313.3588 3.361443  982.4005       21.06131  982.4005       21.06131  982.4005       21.06131  313.3588 3.361443  313.3588 3.361443  0.000000       0.000000  
1 1 1 10 3  1  f 483.3743 2.574510  2338.258       17.58762  2436.164       35.17524  2240.352       35.17524  493.5017 3.563842  473.2469 3.716373  20.25482       5.149020  
1 1 1 10 3  2  o 425.6472 2.276106  1819.135       13.62314  1595.637       27.24628  2042.632       27.24628  399.3933 3.410959  451.9010 3.014629  -52.50766      4.552211  
1 1 1 10 3  3  o 392.8849 2.108033  1544.004       11.71237  1557.679       23.42475  1530.328       23.42475  394.6253 2.967974  391.1445 2.994386  3.480774       4.216066  
1 1 1 10 3  4  o 530.6155 2.774806  2817.002       20.81829  2753.656       41.63659  2880.348       41.63659  524.6464 3.968062  536.5846 3.879778  -11.93823      5.549612  
1 1 1 10 3  5  o 102.3812 0.7822739 105.9165       1.115010  84.49301       2.230021  127.3399       2.230021  91.91866 1.213040  112.8438 0.9881005 -20.92517      1.564548  
1 1 1 10 3  6  o 728.1086 3.787418  5304.129       38.99678  5370.682       77.99355  5237.576       77.99355  732.6788 5.322493  723.5383 5.389732  9.140503       7.574836  
1 1 1 10 3  7  o 146.2396 0.9405580 214.6443       1.934591  188.8180       3.869182  240.4706       3.869182  137.4095 1.407902  155.0697 1.247562  -17.66026      1.881116  
1 1 1 10 3  8  f 796.2661 4.162358  6343.928       46.86380  6480.231       93.72759  6207.625       93.72759  804.8250 5.822855  787.7072 5.949392  17.11780       8.324717  
1 1 1 10 3  9  o 300.7338 1.735304  911.0778       7.299983  756.7014       14.59997  1065.454       14.59997  275.0672 2.653891  326.4005 2.236511  -51.33331      3.470608  
1 1 1 10 3  10 o 252.8458 1.443312  639.4013       5.160498  649.3364       10.32100  629.4663       10.32100  254.8104 2.025230  250.8811 2.056949  3.929291       2.886624  
1 1 1 10 3  11 o 142.7398 1.091740  203.9087       2.201431  192.9159       4.402862  214.9016       4.402862  138.8892 1.585027  146.5905 1.501756  -7.701324      2.183479  
1 1 1 10 3  12 o 321.1134 1.783038  1031.537       8.095737  1054.047       16.19147  1009.027       16.19147  324.6184 2.493925  317.6085 2.548968  7.009949       3.566076  
1 1 1 10 3  13 o 114.8058 1.222061  132.1192       1.977476  119.6397       3.954952  144.5988       3.954952  109.3707 1.808049  120.2409 1.644596  -10.87014      2.444123  
1 1 1 10 3  14 o 98.84045 1.384760  97.75401       1.934591  101.4660       3.869182  94.04208       3.869182  100.7182 1.920796  96.96271 1.995191  3.755478       2.769520  
1 1 1 10 3  15 o 266.2408 1.679955  710.7524       6.304098  643.5516       12.60820  777.9534       12.60820  253.6206 2.485641  278.8611 2.260658  -25.24059      3.359909  
1 1 1 10 3  16 o 197.9501 1.561933  392.4789       4.364742  365.4566       8.729484  419.5012       8.729484  191.1246 2.283715  204.7757 2.131475  -13.65106      3.123866  
1 1 1 10 3  17 o 192.5003 1.678714  370.8077       4.569637  376.7306       9.139274  364.8848       9.139274  194.0388 2.355012  190.9619 2.392957  3.076828       3.357429  
1 1 1 10 3  18 o 100.4013 2.327927  101.1324       3.297381  93.02237       6.594762  109.2424       6.594762  96.36249 3.421852  104.4401 3.157198  -8.077621      4.655853  
1 1 1 10 3  19 f 75.91383 3.303457  57.90906       3.545162  56.05548       7.090323  59.76265       7.090323  74.69299 4.746312  77.13468 4.596067  -2.441696      6.606914  
1 1 1 10 3  20 o 97.58629 3.298604  95.87660       4.550577  92.82224       9.101154  98.93098       9.101154  96.02134 4.739130  99.15125 4.589530  -3.129906      6.597208  
1 1 1 10 3  21 o 92.35345 4.378618  86.53243       5.718002  84.88374       11.43600  88.18112       11.43600  91.46085 6.251858  93.24605 6.132166  -1.785194      8.757236  
1 1 1 10 3  22 o 116.5150 4.293078  138.6377       7.037908  154.4909       14.07582  122.7846       14.07582  123.3181 5.707118  109.7120 6.414895  13.60611       8.586156  
1 1 1 10 3  23 o 29.47155 8.990827  0.5432101      6.937842  -4.736412      13.87568  5.822832       13.87568  26.78386 12.11591  32.15924 13.28701  -5.375378      17.98165  
1 1 1 10 3  24 o 43.47874 10.66558  22.33833       8.124328  27.58936       16.24866  17.08730       16.24866  47.26805 15.18168  39.68943 14.98450  7.578617       21.33116  
1 1 1 10 4  0  o 530.8530 5.559384  2820.024       59.00979  2820.024       59.00979  2820.024       59.00979  530.8530 5.559384  530.8530 5.559384  -0.000000      0.000000  
1 1 1 10 4  1  f 246.7226 1.352250  608.8528       4.717352  595.1583       9.434704  622.5475       9.434704  243.9473 1.933759  249.4979 1.890738  -5.550613      2.704499  
1 1 1 10 4  2  o 356.9066 1.907134  1274.147       9.625304  1293.136       19.25061  1255.159       19.25061  359.5667 2.676917  354.2464 2.717121  5.320313       3.814267  
1 1 1 10 4  3  o 118.6709 0.8346328 147.0432       1.310376  206.1912       2.620751  87.89523       2.620751  143.5919 0.9125692 93.74988 1.397736  49.84204       1.669266  
1 1 1 10 4  4  o 129.5632 0.9052850 167.9091       1.658221  172.8266       3.316442  162.9917       3.316442  131.4609 1.261379  127.6655 1.298879  3.795425       1.810570  
1 1 1 10 4  5  o 227.9542 1.281523  519.6711       4.131257  523.0161       8.262513  516.3260       8.262513  228.6879 1.806504  227.2204 1.818171  1.467438       2.563046  
1 1 1 10 4  6  o 529.1171 2.774757  2800.491       20.76111  2756.058       41.52223  2844.926       41.52223  524.9182 3.955114  533.3160 3.892836  -8.397766      5.549513  
1 1 1 10 4  7  o 200.0378 1.168332  400.4079       3.302146  380.6474       6.604293  420.1683       6.604293  195.0986 1.692552  204.9770 1.610984  -9.878357      2.336665  
1 1 1 10 4  8  o 184.5641 1.139734  340.7643       2.973361  353.2296       5.946723  328.2991       5.946723  187.9411 1.582071  181.1872 1.641044  6.753891       2.279468  
1 1 1 10 4  9  o 329.6142 1.836110  1094.345       8.467408  1278.193       16.93482  910.4966       16.93482  357.5026 2.368489  301.7258 2.806325  55.77676       3.672220  
1 1 1 10 4  10 o 675.0674 3.543843  4559.635       33.83151  4603.630       67.66302  4515.640       67.66302  678.3259 4.987501  671.8088 5.035884  6.517151       7.087687  
1 1 1 10 4  11 o 215.8863 1.310853  466.8225       3.993072  503.0984       7.986144  430.5465       7.986144  224.2880 1.780333  207.4847 1.924514  16.80327       2.621705  
1 1 1 10 4  12 o 110.6436 1.181579  122.4367       1.848821  121.5171       3.697641  123.3564       3.697641  110.2280 1.677269  111.0592 1.664716  -0.8311844     2.363157  
1 1 1 10 4  13 o 400.4928 2.236231  1604.805       12.66537  1616.298       25.33075  1593.312       25.33075  401.9277 3.151157  399.0579 3.173819  2.869781       4.472462  
1 1 1 10 4  14 o 139.7316 1.285993  195.3698       2.539746  203.1416       5.079492  187.5981       5.079492  142.5125 1.782121  136.9506 1.854497  5.561905       2.571987  
1 1 1 10 4  15 o 209.9798 1.523263  441.7919       4.512457  477.2626       9.024914  406.3213       9.024914  218.4260 2.065897  201.5336 2.239059  16.89243       3.046526  
1 1 1 10 4  16 o 260.3647 1.822346  678.3743       6.709123  691.6210       13.41825  665.1276       13.41825  262.9085 2.551885  257.8208 2.602243  5.087738       3.644693  
1 1 1 10 4  17 o 59.45662 3.388731  37.83888       2.568336  19.35544       5.136672  56.32232       5.136672  43.91299 5.848694  75.00026 3.424437  -31.08727      6.777462  
1 1 1 10 4  18 o 87.50024 2.709015  78.23180       3.254497  56.76070       6.508993  99.70290       6.508993  75.23108 4.326000  99.76941 3.262019  -24.53833      5.418029  
1 1 1 10 4  19 o 222.2480 2.091403  495.4507       6.561408  460.9758       13.12282  529.9254       13.12282  214.4921 3.059044  230.0039 2.852737  -15.51184      4.182806  
1 1 1 10 4  20 o 194.1729 2.174312  378.7176       5.956253  409.0182       11.91251  348.4169       11.91251  201.9753 2.949000  186.3703 3.195923  15.60500       4.348623  
1 1 1 10 4  21 o 77.56354 4.757635  61.19692       5.217677  62.58353       10.43535  59.81030       10.43535  78.45740 6.650331  76.66969 6.805398  1.787712       9.515269  
1 1 1 10 4  22 o 178.6201 3.240905  322.5906       8.176744  340.8120       16.35349  304.3693       16.35349  183.7207 4.450638  173.5195 4.712290  10.20117       6.481810  
1 1 1 10 4  23 o 52.49015 8.886015  31.60149       6.585233  38.54887       13.17047  24.65412       13.17047  58.72312 11.62759  46.25719 13.44039  12.46593       17.77203  
1 1 1 10 4  24 o 47.59599 15.68793  28.26599       17.31602  28.26599       17.31602  ?              ?         47.59599 15.68793  ?        ?         ?              ?         
1 1 1 10 5  0  o 396.4466 4.212623  1572.594       33.39314  1572.594       33.39314  1572.594       33.39314  396.4466 4.212623  396.4466 4.212623  0.000000       0.000000  
1 1 1 10 5  1  o 339.0440 1.836308  1152.120       8.777134  1257.293       17.55427  1046.947       17.55427  354.5542 2.475540  323.5338 2.712896  31.02048       3.672615  
1 1 1 10 5  2  o 340.9003 1.858273  1162.822       8.953437  1116.221       17.90688  1209.424       17.90688  334.0652 2.680147  347.7354 2.574785  -13.67020      3.716545  
1 1 1 10 5  3  o 306.7324 1.702005  943.6039       7.352398  844.5395       14.70480  1042.668       14.70480  290.5841 2.530214  322.8808 2.277125  -32.29669      3.404009  
1 1 1 10 5  4  o 81.65083 0.7927269 69.54044       0.8577003 97.20604       1.715401  41.87484       1.715401  98.59224 0.8699471 64.70943 1.325464  33.88281       1.585454  
1 1 1 10 5  5  o 240.8127 1.370254  582.8550       4.631582  500.7636       9.263164  664.9464       9.263164  223.7681 2.069813  257.8574 1.796180  -34.08936      2.740509  
1 1 1 10 5  6  o 300.2030 1.705656  905.9317       7.185624  776.6000       14.37125  1035.263       14.37125  278.6623 2.578614  321.7437 2.233338  -43.08139      3.411311  
1 1 1 10 5  7  o 439.0352 2.345320  1927.772       14.56185  1927.863       29.12369  1927.681       29.12369  439.0456 3.316705  439.0249 3.316861  0.2062988E-01  4.690639  
1 1 1 10 5  8  o 572.5876 3.012729  3279.656       24.39204  3347.080       48.78409  3212.231       48.78409  578.4753 4.216609  566.6999 4.304226  11.77545       6.025459  
1 1 1 10 5  9  o 626.0898 3.299120  3921.391       29.20946  3971.143       58.41892  3871.640       58.41892  630.0630 4.635959  622.1167 4.695174  7.946289       6.598240  
1 1 1 10 5  10 o 235.1859 1.465553  553.5265       4.869832  525.6464       9.739664  581.4064       9.739664  229.2586 2.124165  241.1131 2.019729  -11.85446      2.931106  
1 1 1 10 5  11 o 271.2064 1.596503  736.8122       6.108732  795.4027       12.21746  678.2218       12.21746  282.0082 2.166154  260.4046 2.345862  21.60364       3.193007  
1 1 1 10 5  12 o 474.0720 2.582165  2250.487       17.29219  2374.153       34.58438  2126.821       34.58438  487.1150 3.549920  461.0290 3.750782  26.08597       5.164329  
1 1 1 10 5  13 o 390.0915 2.179859  1522.790       12.02210  1479.857       24.04420  1565.723       24.04420  384.5886 3.125964  395.5944 3.038996  -11.00577      4.359719  
1 1 1 10 5  14 o 223.0975 1.444743  499.1245       4.541047  549.1284       9.082094  449.1205       9.082094  234.3043 1.938098  211.8908 2.143107  22.41348       2.889487  
1 1 1 10 5  15 o 168.6302 1.391339  284.5421       3.316442  294.7821       6.632883  274.3021       6.632883  171.6665 1.931910  165.5940 2.002754  6.072449       2.782679  
1 1 1 10 5  16 f 258.9567 1.732157  671.7271       6.332687  626.4834       12.66537  716.9708       12.66537  250.2209 2.530838  267.6925 2.365658  -17.47153      3.464315  
1 1 1 10 5  17 o 321.4221 2.021495  1034.229       9.186924  1058.955       18.37385  1009.504       18.37385  325.2683 2.824414  317.5758 2.892829  7.692535       4.042991  
1 1 1 10 5  18 o 163.9181 1.890073  269.6753       4.364742  296.8120       8.729484  242.5386       8.729484  172.1956 2.534758  155.6405 2.804373  16.55502       3.780147  
1 1 1 10 5  19 o 118.9201 2.608970  142.5212       4.355212  162.4294       8.710423  122.6130       8.710423  127.2905 3.421474  110.5497 3.939596  16.74080       5.217940  
1 1 1 10 5  20 o 66.72278 5.669128  45.70113       5.293917  38.28203       10.58783  53.12024       10.58783  61.16312 8.655406  72.28243 7.323933  -11.11931      11.33826  
1 1 1 10 5  21 o 60.15199 6.008952  37.35761       5.069962  32.01128       10.13992  42.70395       10.13992  55.70797 9.100965  64.59601 7.848724  -8.888042      12.01790  
1 1 1 10 5  22 o 157.1759 3.134365  249.4574       6.966432  245.5787       13.93286  253.3361       13.93286  155.9421 4.467321  158.4098 4.397728  -2.467758      6.268730  
1 1 1 10 5  23 o 58.50435 6.761799  37.06219       5.374923  44.15251       10.74985  29.97186       10.74985  64.99562 8.269669  52.01308 10.70048  12.98254       13.52360  
1 1 1 10 5  24 o 43.32154 14.77190  22.48128       15.35284  22.48128       15.35284  ?              ?         43.32154 14.77190  ?        ?         ?              ?         
1 1 1 10 6  0  o 64.98650 1.306325  42.28463       1.696341  42.28463       1.696341  42.28463       1.696341  64.98650 1.306325  64.98650 1.306325  0.000000       0.000000  
1 1 1 10 6  1  o 564.0037 2.970215  3182.955       23.68682  3252.552       47.37365  3113.357       47.37365  570.1736 4.154317  557.8337 4.246216  12.33990       5.940430  
1 1 1 10 6  2  o 583.9315 3.118999  3414.743       25.72148  3208.466       51.44296  3621.020       51.44296  566.2687 4.542275  601.5942 4.275553  -35.32556      6.237998  
1 1 1 10 6  3  o 596.7356 3.120217  3562.792       26.33140  3587.246       52.66280  3538.338       52.66280  598.7845 4.397475  594.6866 4.427778  4.097961       6.240433  
1 1 1 10 6  4  o 589.0245 3.227033  3472.509       26.86508  3612.110       53.73016  3332.909       53.73016  600.8746 4.470996  577.1744 4.654586  23.70020       6.454067  
1 1 1 10 6  5  o 773.6208 4.011261  5988.506       43.88567  6006.409       87.77134  5970.604       87.77134  774.7779 5.664290  772.4638 5.681259  2.314087       8.022523  
1 1 1 10 6  6  o 201.0933 1.349061  412.2442       3.726231  524.8649       7.452463  299.6233       7.452463  229.0954 1.626498  173.0911 2.152757  56.00427       2.698121  
1 1 1 10 6  7  o 377.3315 2.020736  1423.935       10.78320  1423.992       21.56640  1423.878       21.56640  377.3391 2.857695  377.3239 2.857810  0.1516724E-01  4.041472  
1 1 1 10 6  8  o 265.3262 1.508665  704.0291       5.660822  698.9877       11.32164  709.0704       11.32164  264.3761 2.141200  266.2762 2.125921  -1.900055      3.017330  
1 1 1 10 6  9  o 757.2745 3.955715  5739.049       42.34657  5927.091       84.69315  5551.008       84.69315  769.6902 5.501769  744.8589 5.685181  24.83136       7.911431  
1 1 1 10 6  10 o 521.6268 2.769766  2721.884       20.43233  2718.920       40.86465  2724.847       40.86465  521.3428 3.919174  521.9109 3.914907  -0.5681763     5.539533  
1 1 1 10 6  11 o 353.1774 1.941843  1247.830       9.696778  1277.897       19.39356  1217.763       19.39356  357.4341 2.712886  348.9208 2.779078  8.513336       3.883687  
1 1 1 10 6  12 o 208.0029 1.319628  432.9528       3.878712  452.9611       7.757423  412.9446       7.757423  212.8125 1.822595  203.1933 1.908878  9.619232       2.639255  
1 1 1 10 6  13 o 294.6189 1.693452  868.5740       7.052203  836.4008       14.10441  900.7474       14.10441  289.1587 2.438869  300.0790 2.350115  -10.92032      3.386904  
1 1 1 10 6  14 o 111.0752 1.337734  123.4088       2.101366  123.5279       4.202732  123.2896       4.202732  111.1288 1.890927  111.0216 1.892754  0.1072464      2.675467  
1 1 1 10 6  15 o 220.3192 1.503982  485.7252       4.683997  502.4503       9.367994  469.0001       9.367994  224.1148 2.089999  216.5235 2.163274  7.591324       3.007964  
1 1 1 10 6  16 o 222.0399 1.564621  493.2777       4.912717  500.3347       9.825435  486.2208       9.825435  223.6290 2.196815  220.4508 2.228487  3.178238       3.129241  
1 1 1 10 6  17 o 337.1962 2.148788  1138.421       10.24475  1165.110       20.48951  1111.732       20.48951  341.1537 3.002974  333.2387 3.074299  7.914917       4.297577  
1 1 1 10 6  18 o 292.4169 1.948677  856.1755       8.057619  841.0896       16.11524  871.2615       16.11524  289.8374 2.780048  294.9964 2.731429  -5.159058      3.897355  
1 1 1 10 6  19 o 160.5504 2.159536  258.2822       4.903187  256.4333       9.806375  260.1310       9.806375  159.9747 3.064977  161.1262 3.043072  -1.151550      4.319071  
1 1 1 10 6  20 o 156.2086 2.334420  245.5072       5.136672  270.5568       10.27334  220.4576       10.27334  164.2266 3.127796  148.1906 3.466261  16.03600       4.668840  
1 1 1 10 6  21 o 120.7160 3.642013  147.2814       6.213562  153.3282       12.42712  141.2346       12.42712  123.2205 5.042637  118.2114 5.256314  5.009109       7.284025  
1 1 1 10 6  22 o 94.48289 4.598692  91.18308       6.142087  94.20409       12.28417  88.16206       12.28417  96.08160 6.392574  92.88418 6.612630  3.197418       9.197384  
1 1 1 10 6  23 o 75.03609 5.751266  59.11461       6.037257  49.54649       12.07451  68.68274       12.07451  68.66041 8.792924  81.41177 7.415706  -12.75136      11.50253  
1 1 1 10 6  24 o 31.28298 9.101826  5.317742       6.737713  12.21746       13.47543  -1.581981      13.47543  35.27365 13.54926  27.29230 12.15691  7.981342       18.20365  
1 1 1 10 7  0  o 942.4103 9.768379  8896.211       184.0720  8896.211       184.0720  8896.211       184.0720  942.4103 9.768379  942.4103 9.768379  0.000000       0.000000  
1 1 1 10 7  1  o 308.3698 1.699037  951.4756       7.404812  990.5771       14.80962  912.3740       14.80962  314.7098 2.352902  302.0297 2.451684  12.68011       3.398073  
1 1 1 10 7  2  o 180.3455 1.141965  327.1317       2.887591  277.8854       5.775182  376.3780       5.775182  166.6921 1.732290  193.9988 1.488459  -27.30664      2.283930  
1 1 1 10 7  3  o 136.2303 0.8668738 185.7684       1.667751  197.1567       3.335501  174.3800       3.335501  140.4101 1.187771  132.0504 1.262965  8.359650       1.733748  
1 1 1 10 7  4  o 405.2808 2.183221  1643.297       12.50813  1589.242       25.01626  1697.351       25.01626  398.6121 3.137921  411.9496 3.036325  -13.33749      4.366442  
1 1 1 10 7  5  f 549.7401 2.935188  3023.046       22.81960  3027.339       45.63919  3018.753       45.63919  550.1306 4.148033  549.3496 4.153929  0.7809448      5.870375  
1 1 1 10 7  6  o 177.7559 1.166867  316.1865       2.930476  300.0998       5.860952  332.2731       5.860952  173.2310 1.691659  182.2808 1.607671  -9.049850      2.333735  
1 1 1 10 7  7  o 1025.144 5.301142  10520.70       76.81183  10924.91       153.6237  10116.48       153.6237  1044.859 7.351409  1005.428 7.639711  39.43018       10.60228  
1 1 1 10 7  8  o 475.8384 2.547804  2271.386       17.06824  2519.199       34.13647  2023.572       34.13647  501.8781 3.400873  449.7987 3.794639  52.07935       5.095608  
1 1 1 10 7  9  o 508.2507 2.700436  2583.994       19.40785  2628.966       38.81571  2539.022       38.81571  512.6749 3.785606  503.8265 3.852090  8.848419       5.400872  
1 1 1 10 7  10 f 266.0134 1.518746  708.5176       5.703707  660.6104       11.40741  756.4250       11.40741  257.0088 2.219266  275.0181 2.073939  -18.00937      3.037493  
1 1 1 10 7  11 f 109.1060 1.134750  120.8929       1.710636  150.5074       3.421271  91.27838       3.421271  122.6774 1.394418  95.53456 1.790594  27.14287       2.269499  
1 1 1 10 7  12 o 298.4782 1.781472  891.2078       7.519173  904.5498       15.03835  877.8658       15.03835  300.7132 2.500446  296.2432 2.538176  4.470001       3.562943  
1 1 1 10 7  13 o 195.7650 1.304007  383.8685       3.602341  354.6782       7.204682  413.0589       7.204682  188.3096 1.912989  203.2205 1.772627  -14.91092      2.608013  
1 1 1 10 7  14 o 90.19545 1.593870  81.46723       2.029891  86.72303       4.059782  76.21144       4.059782  93.10901 2.180123  87.28189 2.325672  5.827118       3.187740  
1 1 1 10 7  15 o 109.3748 1.494378  119.6873       2.311026  116.9046       4.622052  122.4701       4.622052  108.1027 2.137806  110.6470 2.088648  -2.544243      2.988756  
1 1 1 10 7  16 o 71.64763 2.480392  52.60562       2.425386  68.38731       4.850772  36.82394       4.850772  82.66103 2.934135  60.63422 4.000028  22.02681       4.960783  
1 1 1 10 7  17 o 260.3536 1.842351  678.6029       6.780598  655.8739       13.56120  701.3321       13.56120  255.9886 2.648789  264.7187 2.561435  -8.730072      3.684703  
1 1 1 10 7  18 o 184.2764 1.855075  340.0830       4.831712  353.2582       9.663424  326.9077       9.663424  187.8512 2.572095  180.7015 2.673864  7.149704       3.710151  
1 1 1 10 7  19 o 199.0948 2.059635  397.1391       5.799007  393.8083       11.59801  400.4698       11.59801  198.2583 2.924976  199.9312 2.900501  -1.672958      4.119270  
1 1 1 10 7  20 f 99.51751 2.878464  100.8370       3.974012  123.2325       7.948023  78.44147       7.948023  110.7696 3.587639  88.26546 4.502341  22.50409       5.756928  
1 1 1 10 7  21 o 91.67937 3.848764  85.06006       4.988957  87.12330       9.977913  82.99680       9.977913  92.80461 5.375764  90.55412 5.509365  2.250496       7.697528  
1 1 1 10 7  22 o 81.31905 6.198282  69.07346       7.061733  79.51836       14.12347  58.62859       14.12347  87.74121 8.048366  74.89688 9.428607  12.84433       12.39656  
1 1 1 10 7  23 o 141.4108 3.490605  203.6133       6.956903  184.5390       13.91381  222.6876       13.91381  134.6665 5.166023  148.1551 4.695689  -13.48859      6.981210  
1 1 1 10 7  24 o 31.02568 13.55289  2.096601       15.89605  2.096601       15.89605  ?              ?         31.02568 13.55289  ?        ?         ?              ?         
1 1 1 10 7  25 o 67.70364 8.368059  57.92813       7.843193  59.81030       15.68639  56.04595       15.68639  69.62120 11.26552  65.78609 12.37682  3.835114       16.73612  
1 1 1 10 8  0  o 491.9007 5.290431  2421.431       52.03382  2421.431       52.03382  2421.431       52.03382  491.9007 5.290431  491.9007 5.290431  -0.000000      0.000000  
1 1 1 10 8  1  o 560.7225 2.945257  3147.036       23.33898  3282.963       46.67796  3011.110       46.67796  572.8431 4.074235  548.6019 4.254265  24.24127       5.890515  
1 1 1 10 8  2  o 320.1182 1.758560  1036.760       7.824133  816.3878       15.64827  1257.131       15.64827  285.6978 2.738604  354.5386 2.206850  -68.84076      3.517121  
1 1 1 10 8  3  o 65.84484 0.8629950 44.16204       0.7814603 32.34483       1.562921  55.97924       1.562921  56.87131 1.374085  74.81837 1.044477  -17.94706      1.725990  
1 1 1 10 8  4  o 325.5885 1.761322  1060.208       8.110033  1059.155       16.22007  1061.261       16.22007  325.4268 2.492122  325.7502 2.489648  -0.3234253     3.522644  
1 1 1 10 8  5  o 216.6993 1.228119  469.9483       3.759587  495.2457       7.519173  444.6509       7.519173  222.5363 1.689426  210.8623 1.782958  11.67398       2.456237  
1 1 1 10 8  6  o 321.7157 1.774220  1035.521       8.067148  993.0264       16.13430  1078.015       16.13430  315.1113 2.560095  328.3200 2.457099  -13.20868      3.548440  
1 1 1 10 8  7  o 407.6633 2.191466  1662.719       12.62726  1598.592       25.25451  1726.846       25.25451  399.7981 3.158408  415.5286 3.038842  -15.73044      4.382933  
1 1 1 10 8  8  o 217.2689 1.261102  472.5452       3.869182  442.8688       7.738363  502.2216       7.738363  210.4394 1.838620  224.0983 1.726555  -13.65886      2.522205  
1 1 1 10 8  9  o 373.9793 2.018420  1399.767       10.66407  1326.176       21.32815  1473.358       21.32815  364.1405 2.928561  383.8182 2.778418  -19.67770      4.036840  
1 1 1 10 8  10 o 197.1126 1.227660  388.6335       3.421271  378.0839       6.842543  399.1833       6.842543  194.4365 1.759583  199.7887 1.712445  -5.352142      2.455321  
1 1 1 10 8  11 o 307.2081 1.744966  943.9707       7.581119  946.6915       15.16224  941.2499       15.16224  307.6509 2.464195  306.7653 2.471309  0.8856506      3.489932  
1 1 1 10 8  12 o 139.8095 1.202889  200.8306       2.282436  136.2219       4.564872  265.4392       4.564872  116.7035 1.955756  162.9155 1.400994  -46.21194      2.405777  
1 1 1 10 8  13 o 187.9969 1.305012  353.5440       3.468921  345.4340       6.937842  361.6541       6.937842  185.8400 1.866618  190.1539 1.824271  -4.313919      2.610024  
1 1 1 10 8  14 o 517.7502 2.843824  2684.226       20.81829  2748.243       41.63659  2620.208       41.63659  523.9325 3.973469  511.5679 4.069508  12.36459       5.687649  
1 1 1 10 8  15 o 460.2095 2.578988  2120.383       16.78234  2077.274       33.56467  2163.492       33.56467  455.5258 3.684168  464.8931 3.609934  -9.367279      5.157977  
1 1 1 10 8  16 o 171.6336 1.519212  294.9393       3.683347  311.1451       7.366693  278.7336       7.366693  176.3546 2.088603  166.9125 2.206753  9.442078       3.038424  
1 1 1 10 8  17 f 217.6688 1.817374  474.2130       5.594112  480.0168       11.18822  468.4092       11.18822  219.0020 2.554366  216.3356 2.585849  2.666336       3.634749  
1 1 1 10 8  18 o 208.6361 1.763636  435.7594       5.203382  441.4298       10.40676  430.0891       10.40676  209.9950 2.477860  207.2772 2.510349  2.717804       3.527271  
1 1 1 10 8  19 o 102.3708 2.639222  105.2160       3.816766  110.8530       7.633533  99.57902       7.633533  105.1240 3.630729  99.61753 3.831421  5.506439       5.278445  
1 1 1 10 8  20 o 158.6288 2.116616  253.3361       4.722116  283.8893       9.444233  222.7829       9.444233  168.2592 2.806453  148.9984 3.169239  19.26080       4.233232  
1 1 1 10 8  21 o 106.7004 3.496002  115.2273       5.260562  105.3732       10.52112  125.0813       10.52112  102.0827 5.153234  111.3180 4.725708  -9.235237      6.992005  
1 1 1 10 8  22 o 135.2593 3.600175  185.4205       6.885427  181.4989       13.77085  189.3421       13.77085  133.8096 5.145689  136.7090 5.036560  -2.899323      7.200350  
1 1 1 10 8  23 o 47.23294 10.00523  25.87396       7.323808  20.44186       14.64762  31.30606       14.64762  42.69174 14.42864  51.77414 13.86480  -9.082401      20.01046  
1 1 1 10 8  24 o 46.83347 13.62911  26.56012       13.53261  26.56012       13.53261  ?              ?         46.83347 13.62911  ?        ?         ?              ?         
1 1 1 10 9  0  o 313.5863 3.445681  983.8680       21.60452  983.8680       21.60452  983.8680       21.60452  313.5863 3.445681  313.5863 3.445681  -0.000000      0.000000  
1 1 1 10 9  1  o 281.9487 1.542812  795.0548       6.151618  800.8730       12.30324  789.2368       12.30324  282.9804 2.173867  280.9169 2.189836  2.063507       3.085624  
1 1 1 10 9  2  o 213.5619 1.265117  461.8001       3.750056  359.9959       7.500113  563.6044       7.500113  189.7270 1.976554  237.3967 1.579658  -47.66969      2.530234  
1 1 1 10 9  3  o 306.1343 1.769247  937.4998       7.657358  964.6365       15.31472  910.3631       15.31472  310.5664 2.465610  301.7021 2.538052  8.864288       3.538495  
1 1 1 10 9  4  o 129.5015 0.9002423 167.7138       1.648691  166.4034       3.297381  169.0242       3.297381  128.9955 1.278099  130.0074 1.268151  -1.011871      1.800485  
1 1 1 10 9  5  f 774.4053 4.033365  6000.109       44.16680  5890.057       88.33360  6110.162       88.33360  767.2996 5.756135  781.5109 5.651464  -14.21130      8.066730  
1 1 1 10 9  6  o 584.7273 3.077060  3419.832       25.44511  3421.195       50.89022  3418.470       50.89022  584.8438 4.350753  584.6108 4.352488  0.2330322      6.154120  
1 1 1 10 9  7  o 257.3049 1.478594  664.1078       5.355862  737.1363       10.71172  591.0794       10.71172  271.4959 1.972723  243.1138 2.203027  28.38210       2.957188  
1 1 1 10 9  8  o 617.0641 3.253826  3808.933       28.39465  3792.293       56.78930  3825.572       56.78930  615.7159 4.611648  618.4124 4.591539  -2.696533      6.507651  
1 1 1 10 9  9  o 270.4090 1.538018  731.4087       5.880013  751.2025       11.76003  711.6149       11.76003  274.0690 2.145450  266.7490 2.204324  7.319946       3.076036  
1 1 1 10 9  10 o 155.0197 1.091239  240.9852       2.382501  266.1635       4.765002  215.8069       4.765002  163.1407 1.460397  146.8987 1.621867  16.24199       2.182478  
1 1 1 10 9  11 o 224.7730 1.384334  505.8479       4.393332  472.5833       8.786663  539.1123       8.786663  217.3734 2.021099  232.1726 1.892270  -14.79915      2.768669  
1 1 1 10 9  12 o 271.8497 1.598803  739.5712       6.142087  706.6688       12.28417  772.4735       12.28417  265.7982 2.310809  277.9013 2.210169  -12.10315      3.197606  
1 1 1 10 9  13 o 417.4366 2.352017  1746.426       13.85186  1607.340       27.70372  1885.511       27.70372  400.7771 3.456251  434.0961 3.190967  -33.31900      4.704034  
1 1 1 10 9  14 o 90.39753 1.669513  83.71155       2.058481  58.38080       4.116962  109.0423       4.116962  76.38678 2.694813  104.4083 1.971569  -28.02150      3.339027  
1 1 1 10 9  15 o 160.4541 1.415421  257.5483       3.211612  254.1557       6.423223  260.9410       6.423223  159.3969 2.014852  161.5113 1.988475  -2.114410      2.830841  
1 1 1 10 9  16 o 121.0301 1.787261  147.1814       3.040071  128.2834       6.080142  166.0794       6.080142  113.2229 2.685031  128.8372 2.359622  -15.61430      3.574522  
1 1 1 10 9  17 o 182.7341 1.606014  334.1362       4.150317  335.5133       8.300633  332.7592       8.300633  183.1109 2.266559  182.3573 2.275926  0.7536011      3.212029  
1 1 1 10 9  18 f 57.75965 3.840534  33.54561       3.135371  32.25906       6.270743  34.83216       6.270743  56.64595 5.535032  58.87336 5.325620  -2.227417      7.681068  
1 1 1 10 9  19 o 39.55828 6.167559  16.60603       3.535631  8.691362       7.071262  24.52070       7.071262  29.92124 10.02513  49.19533 7.186925  -19.27409      12.33512  
1 1 1 10 9  20 o 144.4883 2.590524  209.8650       5.289153  219.5332       10.57831  200.1968       10.57831  147.8340 3.577765  141.1427 3.747380  6.691330       5.181048  
1 1 1 10 9  21 o 121.8951 3.264626  150.0118       5.627467  148.2964       11.25493  151.7272       11.25493  121.1915 4.643452  122.5988 4.590151  -1.407288      6.529252  
1 1 1 10 9  22 o 178.5298 2.874439  321.4947       7.257098  324.6301       14.51420  318.3593       14.51420  179.4079 4.045028  177.6517 4.085016  1.756210       5.748878  
1 1 1 10 9  23 o 71.37332 7.280391  57.21338       6.690063  35.10853       13.38013  79.31822       13.38013  55.45504 12.38059  87.29161 7.664038  -31.83657      14.56078  
1 1 1 10 9  24 f 32.54861 9.391693  5.498813       7.338103  16.44879       14.67621  -5.451162      14.67621  38.47828 14.30060  26.61893 12.17819  11.85935       18.78339  
1 1 1 10 10 0  o 1031.724 15.26695  10665.69       314.8713  10665.69       314.8713  10665.69       314.8713  1031.724 15.26695  1031.724 15.26695  0.000000       0.000000  
1 1 1 10 10 1  o 141.4900 1.825992  200.3016       5.165262  200.3016       5.165262  200.3016       5.165262  141.4900 1.825992  141.4900 1.825992  0.000000       0.000000  
1 1 1 10 10 2  o 89.63835 1.542605  80.42371       2.763701  80.42371       2.763701  80.42371       2.763701  89.63835 1.542605  89.63835 1.542605  0.000000       0.000000  
1 1 1 10 10 3  o 662.1656 7.406135  4388.576       98.05421  4388.576       98.05421  4388.576       98.05421  662.1656 7.406135  662.1656 7.406135  0.000000       0.000000  
1 1 1 10 10 4  o 204.3672 2.894802  417.9383       11.82673  417.9383       11.82673  417.9383       11.82673  204.3672 2.894802  204.3672 2.894802  0.000000       0.000000  
1 1 1 10 10 5  o 151.0659 2.035321  228.3389       6.146852  228.3389       6.146852  228.3389       6.146852  151.0659 2.035321  151.0659 2.035321  0.000000       0.000000  
1 1 1 10 10 6  o 672.0135 7.051960  4518.947       94.75683  4518.947       94.75683  4518.947       94.75683  672.0135 7.051960  672.0135 7.051960  0.000000       0.000000  
1 1 1 10 10 7  o 105.3101 2.287393  111.0627       4.812652  111.0627       4.812652  111.0627       4.812652  105.3101 2.287393  105.3101 2.287393  0.000000       0.000000  
1 1 1 10 10 8  o 447.3116 5.007034  2002.025       44.78149  2002.025       44.78149  2002.025       44.78149  447.3116 5.007034  447.3116 5.007034  0.000000       0.000000  
1 1 1 10 10 9  o 269.8029 3.119878  728.3019       16.82999  728.3019       16.82999  728.3019       16.82999  269.8029 3.119878  269.8029 3.119878  -0.000000      0.000000  
1 1 1 10 10 10 o 421.1810 4.594480  1775.106       38.69181  1775.106       38.69181  1775.106       38.69181  421.1810 4.594480  421.1810 4.594480  0.000000       0.000000  
1 1 1 10 10 11 o 78.70290 2.493871  62.13562       3.916832  62.13562       3.916832  62.13562       3.916832  78.70290 2.493871  78.70290 2.493871  0.000000       0.000000  
1 1 1 10 10 12 o 295.5289 3.417624  873.9775       20.19408  873.9775       20.19408  873.9775       20.19408  295.5289 3.417624  295.5289 3.417624  0.000000       0.000000  
1 1 1 10 10 13 o 487.0385 5.374635  2374.982       52.33878  2374.982       52.33878  2374.982       52.33878  487.0385 5.374635  487.0385 5.374635  0.000000       0.000000  
1 1 1 10 10 14 o 375.0700 4.282601  1408.306       32.11611  1408.306       32.11611  1408.306       32.11611  375.0700 4.282601  375.0700 4.282601  0.000000       0.000000  
1 1 1 10 10 15 o 48.64140 6.437520  24.92096       6.089673  24.92096       6.089673  24.92096       6.089673  48.64140 6.437520  48.64140 6.437520  -0.000000      0.000000  
1 1 1 10 10 16 o 61.79314 6.408012  39.47328       7.766953  39.47328       7.766953  39.47328       7.766953  61.79314 6.408012  61.79314 6.408012  0.000000       0.000000  
1 1 1 10 10 17 o 63.99932 6.533171  42.33228       8.205333  42.33228       8.205333  42.33228       8.205333  63.99932 6.533171  63.99932 6.533171  0.000000       0.000000  
1 1 1 10 10 18 o 92.80129 4.974790  87.05659       9.177394  87.05659       9.177394  87.05659       9.177394  92.80129 4.974790  92.80129 4.974790  0.000000       0.000000  
1 1 1 10 10 19 f 60.99876 8.266031  39.55905       9.796844  39.55905       9.796844  39.55905       9.796844  60.99876 8.266031  60.99876 8.266031  0.000000       0.000000  
1 1 1 10 10 20 o 97.18376 7.547266  97.07262       14.49514  97.07262       14.49514  97.07262       14.49514  97.18376 7.547266  97.18376 7.547266  0.000000       0.000000  
1 1 1 10 10 21 o 43.66371 15.83731  26.29328       12.66537  26.29328       12.66537  26.29328       12.66537  43.66371 15.83731  43.66371 15.83731  -0.000000      0.000000  
1 1 1 10 10 22 o 65.76437 11.81634  48.22182       14.13300  48.22182       14.13300  48.22182       14.13300  65.76437 11.81634  65.76437 11.81634  0.000000       0.000000  
1 1 1 10 10 23 o 73.18195 17.10445  65.98575       21.73794  65.98575       21.73794  65.98575       21.73794  73.18195 17.10445  73.18195 17.10445  0.000000       0.000000  
1 1 1 10 10 24 o 23.42338 15.65699  -0.4479102     19.43168  -0.4479102     19.43168  -0.4479102     19.43168  23.42338 15.65699  23.42338 15.65699  -0.000000      0.000000  
1 1 1 11 0  1  o 375.4557 3.967010  1410.431       29.78126  1410.431       29.78126  1410.431       29.78126  375.4557 3.967010  375.4557 3.967010  -0.000000      0.000000  
1 1 1 11 0  2  o 177.4507 2.312884  315.0715       8.205333  315.0715       8.205333  315.0715       8.205333  177.4507 2.312884  177.4507 2.312884  -0.000000      0.000000  
1 1 1 11 0  3  o 229.8238 2.951437  528.5150       13.56120  528.5150       13.56120  528.5150       13.56120  229.8238 2.951437  229.8238 2.951437  0.000000       0.000000  
1 1 1 11 0  4  o 204.5362 2.316350  418.5387       9.472824  418.5387       9.472824  418.5387       9.472824  204.5362 2.316350  204.5362 2.316350  0.000000       0.000000  
1 1 1 11 0  5  o 514.6078 5.398686  2649.856       55.55039  2649.856       55.55039  2649.856       55.55039  514.6078 5.398686  514.6078 5.398686  0.000000       0.000000  
1 1 1 11 0  6  f 587.4460 6.205142  3453.063       72.88547  3453.063       72.88547  3453.063       72.88547  587.4460 6.205142  587.4460 6.205142  0.000000       0.000000  
1 1 1 11 0  7  o 623.7573 6.518592  3892.978       81.30046  3892.978       81.30046  3892.978       81.30046  623.7573 6.518592  623.7573 6.518592  0.000000       0.000000  
1 1 1 11 0  8  o 335.7739 3.679326  1127.943       24.70177  1127.943       24.70177  1127.943       24.70177  335.7739 3.679326  335.7739 3.679326  0.000000       0.000000  
1 1 1 11 0  9  o 406.7253 4.368680  1655.076       35.52785  1655.076       35.52785  1655.076       35.52785  406.7253 4.368680  406.7253 4.368680  0.000000       0.000000  
1 1 1 11 0  10 o 430.2694 4.676877  1852.404       40.23568  1852.404       40.23568  1852.404       40.23568  430.2694 4.676877  430.2694 4.676877  -0.000000      0.000000  
1 1 1 11 0  11 o 705.9825 7.457998  4990.024       105.2779  4990.024       105.2779  4990.024       105.2779  705.9825 7.457998  705.9825 7.457998  0.000000       0.000000  
1 1 1 11 0  12 o 209.7537 2.663410  440.2481       11.16916  440.2481       11.16916  440.2481       11.16916  209.7537 2.663410  209.7537 2.663410  0.000000       0.000000  
1 1 1 11 0  13 o 93.25637 2.625810  87.19001       4.888892  87.19001       4.888892  87.19001       4.888892  93.25637 2.625810  93.25637 2.625810  -0.000000      0.000000  
1 1 1 11 0  14 o 509.9372 5.635218  2604.140       57.45639  2604.140       57.45639  2604.140       57.45639  509.9372 5.635218  509.9372 5.635218  -0.000000      0.000000  
1 1 1 11 0  15 o 355.3699 4.096198  1264.231       29.10463  1264.231       29.10463  1264.231       29.10463  355.3699 4.096198  355.3699 4.096198  0.000000       0.000000  
1 1 1 11 0  16 o 131.4074 3.264359  173.0839       8.567473  173.0839       8.567473  173.0839       8.567473  131.4074 3.264359  131.4074 3.264359  -0.000000      0.000000  
1 1 1 11 0  17 o 213.0429 3.224652  454.4478       13.73274  454.4478       13.73274  454.4478       13.73274  213.0429 3.224652  213.0429 3.224652  -0.000000      0.000000  
1 1 1 11 0  18 f 350.0569 4.967926  1228.494       34.76545  1228.494       34.76545  1228.494       34.76545  350.0569 4.967926  350.0569 4.967926  0.000000       0.000000  
1 1 1 11 0  19 o 21.63562 12.81879  5.603642       9.406114  5.603642       9.406114  5.603642       9.406114  21.63562 12.81879  21.63562 12.81879  0.000000       0.000000  
1 1 1 11 0  20 o 135.9135 4.947119  186.1496       13.40871  186.1496       13.40871  186.1496       13.40871  135.9135 4.947119  135.9135 4.947119  -0.000000      0.000000  
1 1 1 11 0  21 o 42.36427 19.18368  27.51312       17.39226  27.51312       17.39226  27.51312       17.39226  42.36427 19.18368  42.36427 19.18368  -0.000000      0.000000  
1 1 1 11 0  22 o 224.5690 4.949242  508.0826       22.20491  508.0826       22.20491  508.0826       22.20491  224.5690 4.949242  224.5690 4.949242  -0.000000      0.000000  
1 1 1 11 0  23 o 33.01147 18.93625  17.28743       19.53651  17.28743       19.53651  17.28743       19.53651  33.01147 18.93625  33.01147 18.93625  0.000000       0.000000  
1 1 1 11 0  24 o 111.0049 9.598099  130.9232       21.00413  130.9232       21.00413  130.9232       21.00413  111.0049 9.598099  111.0049 9.598099  0.000000       0.000000  
1 1 1 11 1  0  o 309.5854 3.365487  958.9089       20.83259  958.9089       20.83259  958.9089       20.83259  309.5854 3.365487  309.5854 3.365487  0.000000       0.000000  
1 1 1 11 1  1  o 411.6816 2.205360  1696.336       12.82739  1782.168       25.65477  1610.504       25.65477  422.1061 3.038901  401.2570 3.196800  20.84909       4.410720  
1 1 1 11 1  2  o 469.9606 2.703998  2209.746       17.96882  2166.265       35.93764  2253.226       35.93764  465.3346 3.861485  474.5865 3.786206  -9.251984      5.407996  
1 1 1 11 1  3  f 218.5232 1.353307  478.9160       4.164612  428.2498       8.329224  529.5823       8.329224  206.9304 2.012567  230.1161 1.809787  -23.18575      2.706613  
1 1 1 11 1  4  o 440.7420 2.318657  1943.039       14.45225  1946.522       28.90450  1939.556       28.90450  441.1372 3.276135  440.3469 3.282015  0.7902832      4.637315  
1 1 1 11 1  5  o 747.3047 3.875369  5588.123       40.95519  5644.974       81.91039  5531.271       81.91039  751.1085 5.452633  743.5010 5.508425  7.607422       7.750739  
1 1 1 11 1  6  o 448.6930 2.376300  2014.214       15.07170  2085.327       30.14340  1943.101       30.14340  456.6174 3.300729  440.7685 3.419414  15.84888       4.752599  
1 1 1 11 1  7  o 364.5330 1.963225  1332.314       10.08274  1465.762       20.16549  1198.865       20.16549  382.8371 2.633691  346.2290 2.912161  36.60806       3.926450  
1 1 1 11 1  8  o 797.8215 4.133091  6368.615       46.62554  6234.900       93.25108  6502.332       93.25108  789.4415 5.906143  806.2016 5.783360  -16.76007      8.266183  
1 1 1 11 1  9  o 416.9716 2.236715  1738.935       13.18952  1731.592       26.37905  1746.278       26.37905  416.0911 3.169864  417.8521 3.156506  -1.760986      4.473429  
1 1 1 11 1  10 o 722.4271 3.766519  5222.518       38.47739  5137.082       76.95478  5307.955       76.95478  716.5140 5.370082  728.3403 5.282887  -11.82629      7.533039  
1 1 1 11 1  11 o 401.5605 2.188441  1613.058       12.42712  1591.139       24.85425  1634.977       24.85425  398.8313 3.115885  404.2897 3.073817  -5.458466      4.376881  
1 1 1 11 1  12 f 239.7235 1.454586  575.4884       4.922247  535.1765       9.844495  615.8002       9.844495  231.3155 2.127936  248.1315 1.983725  -16.81601      2.909172  
1 1 1 11 1  13 o 332.4358 1.877526  1106.124       8.820019  1055.696       17.64004  1156.552       17.64004  324.8511 2.715096  340.0204 2.593968  -15.16925      3.755052  
1 1 1 11 1  14 o 66.58163 1.909303  44.37646       1.796406  42.35134       3.592812  46.40159       3.592812  65.06085 2.761117  68.10242 2.637800  -3.041565      3.818607  
1 1 1 11 1  15 o 183.7702 1.434090  337.8768       3.726231  346.1107       7.452463  329.6429       7.452463  186.0105 2.003237  181.5300 2.052681  4.480560       2.868180  
1 1 1 11 1  16 o 146.6792 1.501615  215.6116       3.106781  233.5423       6.213562  197.6809       6.213562  152.7914 2.033348  140.5670 2.210179  12.22444       3.003231  
1 1 1 11 1  17 f 73.34764 2.467873  54.02083       2.549276  48.35524       5.098552  59.68641       5.098552  69.48549 3.668789  77.20979 3.301753  -7.724297      4.935746  
1 1 1 11 1  18 o 70.00784 3.403473  49.24153       3.364091  45.99179       6.728183  52.49126       6.728183  67.68687 4.970080  72.32881 4.651108  -4.641945      6.806945  
1 1 1 11 1  19 o 76.56418 3.277020  59.02408       3.535631  64.74685       7.071262  53.30132       7.071262  80.30141 4.402950  72.82693 4.854840  7.474480       6.554040  
1 1 1 11 1  20 o 150.6673 2.267777  227.7385       4.831712  230.9883       9.663424  224.4888       9.663424  151.7458 3.184083  149.5889 3.229994  2.156891       4.535553  
1 1 1 11 1  21 o 44.16834 7.192652  20.90883       4.793592  32.63073       9.587184  9.186924       9.587184  56.35573 8.505954  31.98095 11.60111  24.37478       14.38530  
1 1 1 11 1  22 o 45.94949 9.039244  23.01496       6.628118  10.52112       13.25624  35.50880       13.25624  35.25053 13.46803  56.64846 12.06001  -21.39793      18.07849  
1 1 1 11 1  23 f 56.31362 8.650664  36.42844       7.047437  53.44426       14.09487  19.41262       14.09487  70.82722 9.950183  41.80002 14.15379  29.02719       17.30133  
1 1 1 11 1  24 o 72.69781 8.231888  60.06762       8.171978  69.21642       16.34396  50.91881       16.34396  79.50437 10.27865  65.89126 12.86100  13.61311       16.46378  
1 1 1 11 1  25 o 52.47813 15.11303  38.12002       16.72516  38.12002       16.72516  ?              ?         52.47813 15.11303  ?        ?         ?              ?         
1 1 1 11 2  0  o 238.0623 2.638806  566.9971       12.56055  566.9971       12.56055  566.9971       12.56055  238.0623 2.638806  238.0623 2.638806  0.000000       0.000000  
1 1 1 11 2  1  o 220.3961 1.287352  492.7965       3.926362  376.0826       7.852723  609.5105       7.852723  193.9178 2.024755  246.8743 1.590430  -52.95647      2.574704  
1 1 1 11 2  2  o 278.6315 1.647756  776.7097       6.489933  803.7701       12.97987  749.6492       12.97987  283.4875 2.289319  273.7756 2.370530  9.711914       3.295511  
1 1 1 11 2  3  o 490.9646 2.699862  2413.502       18.72169  2271.972       37.44339  2555.032       37.44339  476.5511 3.928580  505.3781 3.704492  -28.82697      5.399723  
1 1 1 11 2  4  o 221.4211 1.246804  494.0544       3.859652  408.3416       7.719304  579.7673       7.719304  202.0659 1.910095  240.7763 1.603003  -38.71034      2.493609  
1 1 1 11 2  5  o 261.0091 1.515230  685.5027       5.541698  578.7095       11.08340  792.2960       11.08340  240.5513 2.303749  281.4668 1.968864  -40.91554      3.030459  
1 1 1 11 2  6  o 671.4083 3.511908  4509.527       33.34548  4478.282       66.69096  4540.771       66.69096  669.0815 4.983769  673.7351 4.949347  -4.653564      7.023816  
1 1 1 11 2  7  o 118.0237 0.8108700 139.3096       1.353261  141.8446       2.706521  136.7746       2.706521  119.0976 1.136262  116.9498 1.157130  2.147850       1.621740  
1 1 1 11 2  8  o 78.83008 0.8806347 62.14992       0.9815904 63.46030       1.963181  60.83955       1.963181  79.66122 1.232206  77.99894 1.258466  1.662277       1.761269  
1 1 1 11 2  9  o 667.8731 3.479132  4462.386       32.85945  4511.304       65.71890  4413.469       65.71890  671.5353 4.893183  664.2109 4.947141  7.324341       6.958265  
1 1 1 11 2  10 o 304.7354 1.692194  928.9420       7.290452  902.3389       14.58090  955.5449       14.58090  300.3705 2.427154  309.1003 2.358604  -8.729858      3.384389  
1 1 1 11 2  11 o 367.5419 2.012306  1351.250       10.45918  1336.917       20.91836  1365.583       20.91836  365.5920 2.860888  369.4918 2.830694  -3.899750      4.024613  
1 1 1 11 2  12 o 230.7139 1.429769  532.3937       4.664937  528.5055       9.329873  536.2819       9.329873  229.8712 2.029370  231.5565 2.014600  -1.685318      2.859537  
1 1 1 11 2  13 o 166.0202 1.231198  275.8698       2.887591  290.6461       5.775182  261.0935       5.775182  170.4704 1.693896  161.5701 1.787207  8.900284       2.462396  
1 1 1 11 2  14 o 143.5368 1.312574  207.5968       2.635046  172.1976       5.270092  242.9960       5.270092  131.2057 2.008332  155.8678 1.690565  -24.66211      2.625149  
1 1 1 11 2  15 o 331.0677 1.981782  1097.223       9.272695  1051.636       18.54539  1142.809       18.54539  324.1829 2.860328  337.9525 2.743786  -13.76965      3.963564  
1 1 1 11 2  16 o 327.0246 2.046195  1070.296       9.463295  1071.029       18.92659  1069.562       18.92659  327.1368 2.892763  326.9124 2.894749  0.2243958      4.092389  
1 1 1 11 2  17 o 61.36648 3.232458  38.72517       2.696991  50.89975       5.393982  26.55059       5.393982  71.28605 3.783336  51.44691 5.242280  19.83913       6.464915  
1 1 1 11 2  18 o 200.6907 1.915694  403.2430       5.436867  398.8402       10.87373  407.6459       10.87373  199.5937 2.723967  201.7876 2.694352  -2.193848      3.831387  
1 1 1 11 2  19 o 64.00776 3.680231  41.47934       3.297381  48.25041       6.594762  34.70827       6.594762  69.29701 4.758331  58.71850 5.615575  10.57851       7.360462  
1 1 1 11 2  20 o 118.8044 2.557239  141.9971       4.283737  154.5862       8.567473  129.4079       8.567473  124.1027 3.451768  113.5062 3.774013  10.59652       5.114477  
1 1 1 11 2  21 o 58.84729 5.850098  35.54692       4.865067  37.07171       9.730133  34.02211       9.730133  60.14285 8.089187  57.55173 8.453382  2.591114       11.70020  
1 1 1 11 2  22 f 189.2086 2.718837  360.7345       7.271393  373.9288       14.54279  347.5402       14.54279  192.6953 3.773519  185.7219 3.915206  6.973404       5.437673  
1 1 1 11 2  23 o 49.27821 9.981266  28.12781       7.681183  38.69181       15.36237  17.56380       15.36237  57.82924 13.51254  40.72718 14.69401  17.10207       19.96253  
1 1 1 11 3  0  o 174.4661 2.008022  304.5218       7.004553  304.5218       7.004553  304.5218       7.004553  174.4661 2.008022  174.4661 2.008022  -0.000000      0.000000  
1 1 1 11 3  1  o 376.6052 2.029636  1420.132       10.79273  1327.949       21.58546  1512.316       21.58546  364.3664 2.962054  388.8440 2.775594  -24.47754      4.059271  
1 1 1 11 3  2  o 361.6126 1.926036  1307.950       9.849260  1322.212       19.69852  1293.689       19.69852  363.5846 2.708932  359.6407 2.738639  3.943909       3.852072  
1 1 1 11 3  3  o 375.4458 2.039860  1409.912       10.83085  1410.946       21.66170  1408.878       21.66170  375.5835 2.883739  375.3081 2.885856  0.2754211      4.079720  
1 1 1 11 3  4  o 319.2039 1.724995  1019.139       7.786013  1000.231       15.57203  1038.046       15.57203  316.2422 2.462041  322.1656 2.416773  -5.923370      3.449991  
1 1 1 11 3  5  o 431.4561 2.289953  1862.911       13.96145  1948.895       27.92291  1776.926       27.92291  441.4205 3.162847  421.4916 3.312392  19.92889       4.579906  
1 1 1 11 3  6  o 969.0322 5.007661  9397.537       68.61603  9213.513       137.2321  9581.562       137.2321  959.5369 7.150953  978.5275 7.012172  -18.99054      10.01532  
1 1 1 11 3  7  o 924.7939 4.780999  8557.820       62.52159  8410.134       125.0432  8705.506       125.0432  916.8091 6.819478  932.7787 6.702725  -15.96960      9.561997  
1 1 1 11 3  8  o 1208.358 6.223907  14615.79       106.3548  14761.98       212.7097  14469.59       212.7097  1214.407 8.757762  1202.308 8.845886  12.09827       12.44781  
1 1 1 11 3  9  o 138.5433 1.098087  193.8069       2.120426  231.5695       4.240851  156.0443       4.240851  152.1718 1.393443  124.9148 1.697497  27.25692       2.196174  
1 1 1 11 3  10 o 624.8928 3.307100  3909.526       29.19517  3702.711       58.39034  4116.342       58.39034  608.3448 4.799115  641.4409 4.551498  -33.09613      6.614200  
1 1 1 11 3  11 o 281.6186 1.602295  793.7064       6.375573  754.4236       12.75115  832.9891       12.75115  274.6442 2.321394  288.5931 2.209191  -13.94891      3.204590  
1 1 1 11 3  12 o 92.38707 1.154794  85.47937       1.505741  79.20387       3.011481  91.75488       3.011481  88.99075 1.692019  95.78338 1.572027  -6.792625      2.309588  
1 1 1 11 3  13 f 222.2983 1.421722  494.2736       4.469572  494.4833       8.939144  494.0640       8.939144  222.3455 2.010192  222.2512 2.011045  0.9432983E-01  2.843445  
1 1 1 11 3  14 o 260.6967 1.637201  683.3775       5.989607  585.8856       11.97921  780.8694       11.97921  241.9983 2.475061  279.3950 2.143778  -37.39670      3.274402  
1 1 1 11 3  15 o 223.7385 1.520336  501.6213       4.798357  542.8099       9.596713  460.4326       9.596713  232.9431 2.059883  214.5339 2.236643  18.40927       3.040673  
1 1 1 11 3  16 o 100.6864 1.753013  101.5470       2.492096  108.2227       4.984192  94.87119       4.984192  104.0015 2.396210  97.37129 2.559374  6.630257       3.506027  
1 1 1 11 3  17 o 161.1187 1.829161  261.1173       4.136022  224.0123       8.272044  298.2224       8.272044  149.6039 2.764648  172.6335 2.395839  -23.02963      3.658322  
1 1 1 11 3  18 o 182.6076 1.950470  334.2935       5.027077  358.4901       10.05415  310.0968       10.05415  189.2330 2.656555  175.9823 2.856581  13.25064       3.900941  
1 1 1 11 3  19 o 149.1873 2.455656  223.7216       5.160498  246.6079       10.32100  200.8353       10.32100  156.8576 3.289925  141.5169 3.646558  15.34067       4.911312  
1 1 1 11 3  20 o 56.57980 5.498377  33.86011       4.107431  44.44794       8.214863  23.27227       8.214863  66.26752 6.198258  46.89207 9.083512  19.37545       10.99675  
1 1 1 11 3  21 o 63.13897 7.380218  43.89996       6.099203  25.76913       12.19841  62.03080       12.19841  48.42805 12.50960  77.84989 7.834568  -29.42184      14.76044  
1 1 1 11 3  22 o 34.57414 9.873325  7.643063       7.471523  9.825435       14.94305  5.460692       14.94305  35.88260 14.15428  33.26567 13.76904  2.616928       19.74665  
1 1 1 11 3  23 o 41.29730 11.26458  16.33919       9.396584  20.76588       18.79317  11.91251       18.79317  43.89633 16.20875  38.69827 15.64735  5.198063       22.52916  
1 1 1 11 3  24 o 38.20169 15.88717  11.98874       20.04160  11.98874       20.04160  ?              ?         38.20169 15.88717  ?        ?         ?              ?         
1 1 1 11 4  0  o 157.5390 1.884961  248.3043       5.937192  248.3043       5.937192  248.3043       5.937192  157.5390 1.884961  157.5390 1.884961  -0.000000      0.000000  
1 1 1 11 4  1  o 187.0261 1.146782  358.9428       2.916181  471.9734       5.832363  245.9122       5.832363  217.2440 1.342353  156.8083 1.859711  60.43573       2.293565  
1 1 1 11 4  2  o 632.7179 3.460906  4006.052       30.96775  4028.933       61.93550  3983.170       61.93550  634.5261 4.880453  630.9097 4.908428  3.616394       6.921813  
1 1 1 11 4  3  o 244.0251 1.339601  596.8498       4.607757  652.7480       9.215513  540.9516       9.215513  255.4785 1.803579  232.5717 1.981219  22.90677       2.679203  
1 1 1 11 4  4  o 249.1882 1.487105  628.1368       5.150967  761.2186       10.30193  495.0551       10.30193  275.8913 1.867028  222.4851 2.315196  53.40613       2.974210  
1 1 1 11 4  5  o 375.9371 2.061640  1425.970       10.81655  1691.423       21.63311  1160.516       21.63311  411.2427 2.630212  340.6316 3.175441  70.61111       4.123281  
1 1 1 11 4  6  o 574.7830 3.039697  3305.578       24.69700  3188.377       49.39400  3422.777       49.39400  564.5878 4.374342  584.9782 4.221868  -20.39038      6.079394  
1 1 1 11 4  7  o 506.4173 2.690610  2565.048       19.26967  2564.696       38.53933  2565.401       38.53933  506.3825 3.805358  506.4521 3.804835  -0.6954956E-01 5.381219  
1 1 1 11 4  8  o 659.9222 3.457134  4356.341       32.26382  4325.774       64.52765  4386.909       64.52765  657.6063 4.906253  662.2382 4.871937  -4.631897      6.914268  
1 1 1 11 4  9  o 271.2470 1.597690  743.1736       6.037257  595.9397       12.07451  890.4073       12.07451  244.1069 2.473203  298.3872 2.023296  -54.28035      3.195381  
1 1 1 11 4  10 o 497.8223 2.643383  2479.721       18.60257  2561.322       37.20514  2398.121       37.20514  506.0181 3.676265  489.6266 3.799338  16.39148       5.286766  
1 1 1 11 4  11 o 432.2604 2.345815  1869.773       14.33313  1802.143       28.66625  1937.402       28.66625  424.4376 3.376969  440.0832 3.256913  -15.64560      4.691631  
1 1 1 11 4  12 o 393.6153 2.177684  1550.012       12.12216  1545.252       24.24433  1554.772       24.24433  393.0106 3.084437  394.2199 3.074975  -1.209351      4.355367  
1 1 1 11 4  13 o 197.2182 1.302178  389.0910       3.630931  399.3929       7.261863  378.7891       7.261863  199.8300 1.817010  194.6064 1.865782  5.223618       2.604356  
1 1 1 11 4  14 o 174.2930 1.289427  303.8546       3.178256  302.5872       6.356512  305.1221       6.356512  173.9294 1.827325  174.6566 1.819717  -0.7272034     2.578854  
1 1 1 11 4  15 o 228.7242 1.521369  523.5975       4.917482  546.7458       9.834964  500.4491       9.834964  233.7846 2.103425  223.6639 2.198603  10.12067       3.042737  
1 1 1 11 4  16 o 178.0830 1.591216  318.3021       3.988307  282.4883       7.976613  354.1159       7.976613  168.0277 2.373601  188.1384 2.119879  -20.11070      3.182432  
1 1 1 11 4  17 o 80.58443 2.628795  65.23287       2.982891  58.24739       5.965783  72.21836       5.965783  76.25016 3.911980  84.91870 3.512644  -8.668541      5.257590  
1 1 1 11 4  18 o 90.63945 2.646779  82.33923       3.392681  82.87290       6.785362  81.80556       6.785362  90.93385 3.730933  90.34505 3.755248  0.5887909      5.293558  
1 1 1 11 4  19 o 177.1841 2.208097  314.6283       5.532167  308.4767       11.06433  320.7799       11.06433  175.4482 3.153163  178.9200 3.091977  -3.471878      4.416193  
1 1 1 11 4  20 o 39.50755 7.348518  16.71563       4.255147  11.93157       8.510294  21.49969       8.510294  34.16745 10.98842  44.84764 9.759997  -10.68019      14.69704  
1 1 1 11 4  21 o 165.7376 2.442397  276.0223       5.722767  284.2514       11.44553  267.7931       11.44553  168.2202 3.401951  163.2550 3.505416  4.965149       4.884794  
1 1 1 11 4  22 o 59.88001 8.093615  39.06825       6.680532  46.00133       13.36106  32.13517       13.36106  66.15588 10.09817  53.60415 12.65122  12.55173       16.18723  
1 1 1 11 4  23 o 47.75726 9.353044  26.30281       6.580468  29.95280       13.16094  22.65282       13.16094  51.05931 12.88067  44.45521 13.56489  6.604099       18.70609  
1 1 1 11 4  24 f 44.62479 15.15213  24.19668       16.15335  24.19668       16.15335  ?              ?         44.62479 15.15213  ?        ?         ?              ?         
1 1 1 11 5  0  o 230.0174 2.606803  529.3345       11.98874  529.3345       11.98874  529.3345       11.98874  230.0174 2.606803  230.0174 2.606803  0.000000       0.000000  
1 1 1 11 5  1  o 177.3325 1.049675  317.3301       2.596926  377.1308       5.193852  257.5293       5.193852  194.1937 1.337287  160.4713 1.618312  33.72241       2.099350  
1 1 1 11 5  2  o 307.2216 1.671463  944.0185       7.261863  953.2004       14.52373  934.8362       14.52373  308.7159 2.352280  305.7272 2.375275  2.988739       3.342926  
1 1 1 11 5  3  o 361.8703 1.923632  1310.580       9.834964  1244.304       19.66993  1376.857       19.66993  352.7129 2.788377  371.0278 2.650735  -18.31494      3.847264  
1 1 1 11 5  4  o 385.8986 2.074173  1489.692       11.31688  1451.601       22.63376  1527.783       22.63376  380.9632 2.970597  390.8340 2.895572  -9.870819      4.148346  
1 1 1 11 5  5  o 972.9758 5.022100  9476.303       69.09253  9278.126       138.1851  9674.479       138.1851  962.7919 7.176269  983.1599 7.027599  -20.36798      10.04420  
1 1 1 11 5  6  o 765.9858 3.978160  5869.968       43.08991  5775.278       86.17982  5964.658       86.17982  759.8049 5.671181  772.1667 5.580389  -12.36188      7.956321  
1 1 1 11 5  7  o 391.3297 2.092250  1531.986       11.57419  1480.963       23.14838  1583.010       23.14838  384.8105 3.007764  397.8490 2.909192  -13.03854      4.184500  
1 1 1 11 5  8  o 423.6415 2.295763  1796.849       13.73274  1680.597       27.46547  1913.101       27.46547  409.9210 3.350094  437.3620 3.139901  -27.44104      4.591526  
1 1 1 11 5  9  o 186.7230 1.194263  351.0806       3.121076  293.1048       6.242152  409.0563       6.242152  171.1985 1.823075  202.2475 1.543196  -31.04907      2.388526  
1 1 1 11 5  10 o 196.6794 1.266787  389.4674       3.487981  453.0373       6.975962  325.8975       6.975962  212.8401 1.638780  180.5186 1.932201  32.32158       2.533574  
1 1 1 11 5  11 f 170.1752 1.195958  289.6359       2.878061  293.3716       5.756122  285.9001       5.756122  171.2729 1.680395  169.0776 1.702213  2.195251       2.391915  
1 1 1 11 5  12 o 352.6797 1.988907  1244.623       9.915970  1285.359       19.83194  1203.887       19.83194  358.4549 2.766309  346.9045 2.858415  11.55042       3.977813  
1 1 1 11 5  13 o 199.9716 1.375961  401.8135       3.864417  456.1155       7.728833  347.5116       7.728833  213.5490 1.809616  186.3942 2.073250  27.15483       2.751922  
1 1 1 11 5  14 o 54.79774 2.786404  33.44555       1.815466  53.63486       3.630931  13.25624       3.630931  73.21941 2.479487  36.37606 4.990825  36.84334       5.572808  
1 1 1 11 5  15 f 161.1023 1.389192  259.6783       3.163961  267.4977       6.327922  251.8589       6.327922  163.5291 1.934800  158.6755 1.993983  4.853653       2.778384  
1 1 1 11 5  16 o 113.1049 1.523476  128.3882       2.425386  114.0360       4.850772  142.7404       4.850772  106.7602 2.271807  119.4495 2.030470  -12.68928      3.046952  
1 1 1 11 5  17 o 92.17907 2.392214  85.38884       3.102016  75.28703       6.204032  95.49063       6.204032  86.69962 3.577889  97.65852 3.176391  -10.95889      4.784428  
1 1 1 11 5  18 o 146.5922 1.980912  215.6354       4.093137  235.8009       8.186274  195.4699       8.186274  153.4703 2.667055  139.7141 2.929652  13.75620       3.961824  
1 1 1 11 5  19 o 120.9160 2.474452  146.6000       4.231322  146.1140       8.462644  147.0861       8.462644  120.7151 3.505214  121.1170 3.493582  -0.4019623     4.948903  
1 1 1 11 5  20 o 120.5669 2.862019  148.0486       4.784062  181.4513       9.568124  114.6459       9.568124  134.4192 3.559061  106.7145 4.483046  27.70467       5.724038  
1 1 1 11 5  21 o 66.24611 4.791713  45.67254       4.331387  32.14470       8.662774  59.20039       8.662774  56.03582 7.729676  76.45640 5.665173  -20.42058      9.583426  
1 1 1 11 5  22 o 78.61723 6.346288  65.26146       6.875898  81.46247       13.75180  49.06046       13.75180  88.92097 7.732595  68.31351 10.06521  20.60746       12.69258  
1 1 1 11 5  23 o 36.29829 9.580359  9.996975       7.257098  -2.077541      14.51420  22.07149       14.51420  28.58145 12.68242  44.01512 14.36277  -15.43367      19.16072  
1 1 1 11 5  24 o 34.49329 14.33192  8.472174       16.28678  8.472174       16.28678  ?              ?         34.49329 14.33192  ?        ?         ?              ?         
1 1 1 11 6  0  o 547.8041 5.742340  3003.266       62.89803  3003.266       62.89803  3003.266       62.89803  547.8041 5.742340  547.8041 5.742340  0.000000       0.000000  
1 1 1 11 6  1  o 577.5634 3.023374  3339.432       24.67318  3178.018       49.34636  3500.847       49.34636  563.5897 4.377862  591.5371 4.171028  -27.94745      6.046748  
1 1 1 11 6  2  o 345.2084 1.899441  1194.396       9.244103  1085.620       18.48821  1303.171       18.48821  329.4534 2.805891  360.9635 2.560953  -31.51010      3.798882  
1 1 1 11 6  3  o 410.9172 2.209197  1689.026       12.83692  1716.487       25.67383  1661.566       25.67383  414.2586 3.098769  407.5758 3.149578  6.682800       4.418394  
1 1 1 11 6  4  o 188.0079 1.195482  353.8681       3.173491  376.9879       6.346982  330.7483       6.346982  194.1565 1.634502  181.8593 1.745026  12.29723       2.390964  
1 1 1 11 6  5  o 370.8479 2.014800  1376.118       10.55925  1316.122       21.11849  1436.115       21.11849  362.7589 2.910816  378.9370 2.786544  -16.17807      4.029601  
1 1 1 11 6  6  o 709.0741 3.704447  5032.857       37.10983  4771.254       74.21967  5294.460       74.21967  690.6273 5.373352  727.5209 5.100862  -36.89362      7.408894  
1 1 1 11 6  7  o 94.19324 0.8171731 89.10078       1.081656  100.6464       2.163311  77.55517       2.163311  100.3219 1.078185  88.06455 1.228253  12.25736       1.634346  
1 1 1 11 6  8  o 750.1591 3.910981  5632.513       41.46028  5382.375       82.92056  5882.652       82.92056  733.4866 5.652493  766.8314 5.406701  -33.34479      7.821962  
1 1 1 11 6  9  o 216.0802 1.309744  471.0110       3.950187  383.7351       7.900373  558.2867       7.900373  195.8850 2.016585  236.2755 1.671857  -40.39046      2.619488  
1 1 1 11 6  10 o 487.7623 2.617703  2382.187       18.03077  2530.073       36.06153  2234.300       36.06153  502.9220 3.585201  472.6026 3.815207  30.31937       5.235405  
1 1 1 11 6  11 o 250.6435 1.504648  631.0530       5.298682  713.9594       10.59736  548.1468       10.59736  267.1822 1.983172  234.1048 2.263381  33.07738       3.009296  
1 1 1 11 6  12 o 217.8686 1.357422  475.0135       4.178907  497.3900       8.357814  452.6371       8.357814  223.0039 1.873916  212.7333 1.964388  10.27063       2.714844  
1 1 1 11 6  13 o 85.94868 1.465208  75.05354       1.739226  56.50339       3.478451  93.60370       3.478451  75.15726 2.314115  96.74009 1.797833  -21.58282      2.930415  
1 1 1 11 6  14 o 84.59589 1.692291  72.82829       1.972711  91.63099       3.945422  54.02559       3.945422  95.70914 2.061152  73.48264 2.684594  22.22649       3.384582  
1 1 1 11 6  15 o 358.9904 2.075971  1293.450       10.49253  1434.027       20.98507  1152.873       20.98507  378.5699 2.771624  339.4109 3.091395  39.15900       4.151942  
1 1 1 11 6  16 o 150.3201 1.485503  226.4567       3.149666  207.5444       6.299332  245.3690       6.299332  144.0294 2.186821  156.6108 2.011143  -12.58134      2.971007  
1 1 1 11 6  17 o 67.88336 3.023272  47.05439       2.820881  34.37473       5.641763  59.73406       5.641763  58.54406 4.818390  77.22267 3.652918  -18.67861      6.046544  
1 1 1 11 6  18 o 96.69730 2.454257  95.31910       3.268791  120.0876       6.537583  70.55062       6.537583  109.5045 2.985074  83.89008 3.896517  25.61446       4.908514  
1 1 1 11 6  19 o 94.22761 3.005333  89.39620       3.988307  98.72131       7.976613  80.07109       7.976613  99.17579 4.021452  89.27943 4.467218  9.896362       6.010666  
1 1 1 11 6  20 o 88.33544 4.337397  79.09426       5.413042  83.13976       10.82608  75.04878       10.82608  90.62528 5.972993  86.04560 6.290899  4.579681       8.674794  
1 1 1 11 6  21 o 72.99231 5.286939  54.54021       5.451162  51.56685       10.90232  57.51357       10.90232  70.95554 7.682504  75.02908 7.265400  -4.073532      10.57388  
1 1 1 11 6  22 o 104.1812 3.544398  110.3765       5.189087  96.26257       10.37817  124.4904       10.37817  97.40746 5.327197  110.9549 4.676752  -13.54749      7.088796  
1 1 1 11 6  23 o 49.29575 8.827573  27.82285       6.232623  22.28115       12.46525  33.36454       12.46525  44.16382 13.14701  54.42769 11.78390  -10.26387      17.65515  
1 1 1 11 6  24 o 36.86393 14.61335  12.93222       16.00088  12.93222       16.00088  ?              ?         36.86393 14.61335  ?        ?         ?              ?         
1 1 1 11 6  25 o 32.37434 13.85248  11.85532       15.97229  11.85532       15.97229  ?              ?         32.37434 13.85248  ?        ?         ?              ?         
1 1 1 11 7  0  o 102.5169 1.455487  105.1636       2.982891  105.1636       2.982891  105.1636       2.982891  102.5169 1.455487  102.5169 1.455487  -0.000000      0.000000  
1 1 1 11 7  1  o 235.0435 1.336184  553.7361       4.426687  605.8700       8.853374  501.6022       8.853374  246.1338 1.798488  223.9533 1.976612  22.18051       2.672369  
1 1 1 11 7  2  o 232.1193 1.336893  538.8408       4.388567  538.7597       8.777133  538.9218       8.777133  232.1018 1.890794  232.1367 1.890510  -0.3492737E-01 2.673785  
1 1 1 11 7  3  o 387.8880 2.171885  1506.613       11.89345  1404.484       23.78689  1608.741       23.78689  374.7234 3.173927  401.0527 2.965557  -26.32932      4.343770  
1 1 1 11 7  4  o 219.4824 1.387348  487.0261       4.236087  587.7630       8.472174  386.2892       8.472174  242.4312 1.747336  196.5337 2.155400  45.89748       2.774695  
1 1 1 11 7  5  o 237.5032 1.324276  564.2953       4.445747  543.6486       8.891494  584.9421       8.891494  233.1566 1.906765  241.8498 1.838226  -8.693237      2.648552  
1 1 1 11 7  6  o 495.2571 2.673323  2453.814       18.71693  2531.331       37.43385  2376.297       37.43385  503.0831 3.720445  487.4312 3.839911  15.65186       5.346647  
1 1 1 11 7  7  o 264.2281 1.619494  701.8943       6.003902  803.3126       12.00780  600.4760       12.00780  283.4196 2.118380  245.0367 2.450206  38.38287       3.238987  
1 1 1 11 7  8  o 462.1409 2.453443  2136.174       16.03423  2114.222       32.06846  2158.127       32.06846  459.7659 3.487478  464.5160 3.451814  -4.750153      4.906885  
1 1 1 11 7  9  o 311.2305 1.731656  969.3682       7.614474  920.2554       15.22895  1018.481       15.22895  303.3404 2.510208  319.1206 2.386081  -15.78021      3.463311  
1 1 1 11 7  10 o 208.8620 1.277972  436.7077       3.769116  464.3971       7.538233  409.0182       7.538233  215.4906 1.749086  202.2334 1.863746  13.25729       2.555944  
1 1 1 11 7  11 o 311.9161 1.791755  976.1535       7.867019  867.7926       15.73404  1084.514       15.73404  294.5459 2.670897  329.2863 2.389112  -34.74039      3.583510  
1 1 1 11 7  12 o 319.8625 1.821297  1023.446       8.238688  1026.105       16.47738  1020.787       16.47738  320.2782 2.572354  319.4469 2.579047  0.8312378      3.642594  
1 1 1 11 7  13 o 111.4862 1.295945  124.4714       2.039421  133.2676       4.078841  115.6752       4.078841  115.4312 1.766785  107.5412 1.896408  7.889938       2.591890  
1 1 1 11 7  14 o 253.0381 1.584620  640.5354       5.670352  634.1932       11.34070  646.8776       11.34070  251.7849 2.252062  254.2913 2.229865  -2.506393      3.169240  
1 1 1 11 7  15 o 329.1230 2.087974  1084.872       9.706309  1022.264       19.41262  1147.479       19.41262  319.6118 3.036906  338.6342 2.866311  -19.02246      4.175947  
1 1 1 11 7  16 o 247.3816 1.673235  613.1462       5.841892  568.0168       11.68378  658.2755       11.68378  238.2602 2.451896  256.5030 2.277514  -18.24280      3.346471  
1 1 1 11 7  17 o 242.0123 1.813198  586.3001       6.204032  602.4296       12.40806  570.1706       12.40806  245.3447 2.528701  238.6799 2.599310  6.664734       3.626395  
1 1 1 11 7  18 o 131.8920 2.112362  176.1669       3.873947  213.0813       7.747893  139.2524       7.747893  145.8862 2.655458  117.8978 3.285853  27.98843       4.224723  
1 1 1 11 7  19 f 151.8478 2.041440  231.0454       4.383801  229.3109       8.767603  232.7799       8.767603  151.2767 2.897870  152.4189 2.876153  -1.142242      4.082880  
1 1 1 11 7  20 o 30.78717 7.734313  7.133208       4.636347  14.70480       9.272694  -0.4383802     9.272694  37.31778 11.38595  24.25655 10.47085  13.06123       15.46863  
1 1 1 11 7  21 o 133.0619 2.831938  178.3159       5.327272  183.6432       10.65454  172.9886       10.65454  135.0637 3.944268  131.0601 4.064757  4.003601       5.663877  
1 1 1 11 7  22 o 30.19579 8.592161  5.231973       5.713237  1.801171       11.42647  8.662774       11.42647  27.85172 11.80977  32.53986 12.48320  -4.688131      17.18432  
1 1 1 11 7  23 o 61.57775 7.628119  41.56035       6.451812  46.83997       12.90362  36.28072       12.90362  66.35811 9.722719  56.79739 11.75677  9.560722       15.25624  
1 1 1 11 7  24 o 29.63943 9.053158  -0.4574400     7.376224  -11.40741      14.75245  10.49253       14.75245  24.60838 11.56993  34.67048 13.92750  -10.06210      18.10632  
1 1 1 11 8  0  o 416.7050 4.411571  1737.434       36.75723  1737.434       36.75723  1737.434       36.75723  416.7050 4.411571  416.7050 4.411571  0.000000       0.000000  
1 1 1 11 8  1  o 515.7664 2.716311  2661.101       19.81288  2660.939       39.62576  2661.263       39.62576  515.7507 3.841561  515.7821 3.841327  -0.3143311E-01 5.432622  
1 1 1 11 8  2  o 213.2567 1.216269  455.1339       3.664287  431.0230       7.328573  479.2448       7.328573  207.6036 1.765040  218.9097 1.673881  -11.30606      2.432538  
1 1 1 11 8  3  o 429.9164 2.395354  1849.264       14.55708  1913.110       29.11416  1785.417       29.11416  437.3418 3.328536  422.4910 3.445536  14.85083       4.790707  
1 1 1 11 8  4  o 229.8906 1.341203  528.9534       4.355212  558.8585       8.710423  499.0482       8.710423  236.3948 1.842347  223.3864 1.949632  13.00841       2.682407  
1 1 1 11 8  5  o 520.8656 2.752101  2714.145       20.26555  2632.740       40.53111  2795.550       40.53111  513.0512 3.950006  528.6801 3.833236  -15.62885      5.504202  
1 1 1 11 8  6  o 1218.607 6.269728  14866.71       108.0226  15257.35       216.0452  14476.08       216.0452  1234.635 8.749357  1202.579 8.982579  32.05579       12.53946  
1 1 1 11 8  7  o 138.5838 1.156685  193.8880       2.234786  156.4255       4.469572  231.3504       4.469572  125.0677 1.786861  152.1000 1.469287  -27.03233      2.313370  
1 1 1 11 8  8  o 741.9055 3.868458  5506.794       40.58829  5494.648       81.17657  5518.939       81.17657  741.0870 5.476859  742.7241 5.464786  -1.637146      7.736916  
1 1 1 11 8  9  o 203.0344 1.211589  412.2870       3.478451  404.7869       6.956903  419.7871       6.956903  201.1874 1.728961  204.8814 1.697788  -3.694000      2.423177  
1 1 1 11 8  10 o 311.1559 1.768993  969.3825       7.771719  905.8174       15.54344  1032.948       15.54344  300.9415 2.582468  321.3702 2.418307  -20.42874      3.537987  
1 1 1 11 8  11 o 78.97030 1.244972  62.48347       1.386616  67.79645       2.773231  57.17050       2.773231  82.33421 1.684131  75.60639 1.833993  6.727814       2.489945  
1 1 1 11 8  12 o 57.40699 1.768071  33.35025       1.410441  40.47393       2.820881  26.22657       2.820881  63.61153 2.217272  51.20245 2.754635  12.40908       3.536143  
1 1 1 11 8  13 o 138.7504 1.239777  192.6871       2.430151  182.4615       4.860302  202.9128       4.860302  135.0655 1.799239  142.4354 1.706143  -7.369843      2.479553  
1 1 1 11 8  14 o 166.9423 1.333096  278.9146       3.144901  291.5705       6.289802  266.2588       6.289802  170.7328 1.842002  163.1518 1.927592  7.580963       2.666192  
1 1 1 11 8  15 o 78.66237 2.002935  62.05938       2.220491  67.99657       4.440981  56.12219       4.440981  82.43621 2.693587  74.88853 2.965061  7.547684       4.005871  
1 1 1 11 8  16 f 361.0332 2.126048  1304.610       10.85467  1290.791       21.70935  1318.428       21.70935  359.1194 3.022581  362.9469 2.990706  -3.827484      4.252095  
1 1 1 11 8  17 o 324.7434 2.063688  1055.715       9.477588  1058.965       18.95518  1052.465       18.95518  325.2438 2.913996  324.2431 2.922989  1.000702       4.127376  
1 1 1 11 8  18 o 94.09099 2.624920  88.74816       3.492747  89.50580       6.985494  87.99052       6.985494  94.49359 3.696279  93.68838 3.728047  0.8052139      5.249839  
1 1 1 11 8  19 o 117.3392 2.305799  138.0659       3.826297  137.7371       7.652593  138.3947       7.652593  117.1991 3.264783  117.4793 3.256997  -0.2801971     4.611598  
1 1 1 11 8  20 o 74.51465 3.894565  56.21272       4.093137  60.89672       8.186274  51.52873       8.186274  77.65765 5.270745  71.37164 5.734962  6.286011       7.789130  
1 1 1 11 8  21 o 59.40943 5.897259  36.45226       4.946072  34.04118       9.892144  38.86335       9.892144  57.38021 8.619822  61.43865 8.050425  -4.058434      11.79452  
1 1 1 11 8  22 o 66.02111 7.710950  46.90668       7.028378  43.65695       14.05676  50.15640       14.05676  63.07632 11.57483  68.96590 10.19109  -5.889572      15.42190  
1 1 1 11 8  23 o 87.86543 5.012492  80.27122       6.184973  69.71198       12.36995  90.83046       12.36995  81.85667 7.555857  93.87419 6.588576  -12.01752      10.02498  
1 1 1 11 8  24 o 76.78309 7.361621  65.36629       7.957553  71.85622       15.91511  58.87636       15.91511  81.00923 9.823020  72.55695 10.96732  8.452286       14.72324  
1 1 1 11 9  0  o 408.4425 4.103958  1669.075       33.51702  1669.075       33.51702  1669.075       33.51702  408.4425 4.103958  408.4425 4.103958  -0.000000      0.000000  
1 1 1 11 9  1  o 468.3184 2.494333  2195.489       16.50120  2074.577       33.00240  2316.401       33.00240  455.4093 3.623379  481.2276 3.428981  -25.81833      4.988665  
1 1 1 11 9  2  o 502.2720 2.733693  2527.319       19.37450  2722.322       38.74900  2332.316       38.74900  521.6841 3.713837  482.8600 4.012446  38.82413       5.467386  
1 1 1 11 9  3  o 253.1721 1.472547  641.5789       5.265327  603.5065       10.53065  679.6513       10.53065  245.6530 2.143400  260.6912 2.019757  -15.03815      2.945095  
1 1 1 11 9  4  o 478.2256 2.537874  2287.492       17.16354  2268.617       34.32708  2306.366       34.32708  476.2522 3.603875  480.1989 3.574256  -3.946686      5.075748  
1 1 1 11 9  5  o 979.3915 5.342793  9598.525       74.00048  9544.394       148.0010  9652.655       148.0010  976.6280 7.577141  982.1550 7.534501  -5.527039      10.68559  
1 1 1 11 9  6  o 183.8411 1.129361  338.0626       2.935241  327.9275       5.870482  348.1978       5.870482  181.0846 1.620922  186.5976 1.573032  -5.513016      2.258721  
1 1 1 11 9  7  o 508.2932 2.688124  2584.189       19.32208  2552.440       38.64417  2615.938       38.64417  505.1700 3.824867  511.4163 3.778152  -6.246246      5.376248  
1 1 1 11 9  8  o 573.3162 3.035439  3288.285       24.60647  3214.842       49.21294  3361.728       49.21294  566.9111 4.340446  579.7213 4.244535  -12.81018      6.070878  
1 1 1 11 9  9  f 91.14603 1.087990  83.13975       1.400911  87.59026       2.801821  78.68924       2.801821  93.58745 1.496900  88.70461 1.579298  4.882835       2.175981  
1 1 1 11 9  10 o 231.4706 1.448170  537.9639       4.712587  470.6678       9.425174  605.2601       9.425174  216.9339 2.172361  246.0072 1.915630  -29.07332      2.896341  
1 1 1 11 9  11 o 276.4446 1.607091  765.7549       6.265977  830.6543       12.53195  700.8556       12.53195  288.1829 2.174306  264.7064 2.367142  23.47644       3.214183  
1 1 1 11 9  12 o 293.9605 1.696511  864.4238       7.052203  877.2560       14.10441  851.5917       14.10441  296.1431 2.381349  291.7779 2.416976  4.365234       3.393022  
1 1 1 11 9  13 o 253.9812 1.543470  645.4195       5.541698  624.4536       11.08340  666.3855       11.08340  249.8537 2.217977  258.1087 2.147040  -8.254959      3.086941  
1 1 1 11 9  14 f 442.7723 2.456415  1962.280       15.38142  1966.145       30.76285  1958.416       30.76285  443.2086 3.470471  442.3359 3.477318  0.8727417      4.912831  
1 1 1 11 9  15 o 332.7460 1.955738  1108.044       9.201219  1134.537       18.40244  1081.551       18.40244  336.7271 2.732545  328.7650 2.798722  7.962067       3.911476  
1 1 1 11 9  16 o 183.7588 1.518061  338.0674       3.940656  356.4698       7.881313  319.6649       7.881313  188.7661 2.087587  178.7516 2.204543  10.01447       3.036121  
1 1 1 11 9  17 o 129.9772 1.783247  169.7151       3.259262  148.8968       6.518523  190.5334       6.518523  121.9688 2.672209  137.9857 2.362029  -16.01687      3.566494  
1 1 1 11 9  18 o 210.0203 1.761553  441.6013       5.231973  444.3936       10.46395  438.8090       10.46395  210.6851 2.483314  209.3556 2.499084  1.329529       3.523105  
1 1 1 11 9  19 o 135.2241 2.119635  183.4144       4.050251  174.9613       8.100503  191.8676       8.100503  132.0985 3.066084  138.3497 2.927547  -6.251175      4.239269  
1 1 1 11 9  20 o 130.8387 2.588178  172.0023       4.788827  173.7129       9.577654  170.2916       9.577654  131.4924 3.641902  130.1850 3.678478  1.307434       5.176355  
1 1 1 11 9  21 o 31.24567 7.894390  6.852073       4.979427  16.33442       9.958854  -2.630281      9.958854  38.83083 11.79019  23.66051 10.50129  15.17032       15.78878  
1 1 1 11 9  22 o 76.15367 5.473095  59.83890       5.894307  59.48629       11.78861  60.19150       11.78861  75.92216 7.763620  76.38518 7.716559  -0.4630203     10.94619  
1 1 1 11 9  23 o 55.74438 9.062825  36.31408       7.076028  27.61795       14.15206  45.01020       14.15206  48.29555 13.89984  63.19321 11.63330  -14.89766      18.12565  
1 1 1 11 9  24 o 35.25056 13.78274  12.40806       14.07582  12.40806       14.07582  ?              ?         35.25056 13.78274  ?        ?         ?              ?         
1 1 1 11 10 0  o 389.1591 4.247477  1515.271       33.05005  1515.271       33.05005  1515.271       33.05005  389.1591 4.247477  389.1591 4.247477  0.000000       0.000000  
1 1 1 11 10 1  f 158.9699 0.9899012 252.7405       2.225256  256.7859       4.450512  248.6950       4.450512  160.2423 1.388682  157.6975 1.411092  2.544815       1.979802  
1 1 1 11 10 2  o 509.6872 2.743402  2598.966       19.76999  2534.057       39.53998  2663.874       39.53998  503.3197 3.927919  516.0547 3.830988  -12.73505      5.486804  
1 1 1 11 10 3  o 367.3820 2.043031  1350.144       10.61166  1387.464       21.22332  1312.825       21.22332  372.4611 2.849065  362.3029 2.928947  10.15823       4.086062  
1 1 1 11 10 4  o 524.2341 2.794904  2749.425       20.71346  2664.808       41.42693  2834.042       41.42693  516.1636 4.012965  532.3047 3.891280  -16.14105      5.589807  
1 1 1 11 10 5  o 899.9106 4.670764  8103.792       59.42910  7899.992       118.8582  8307.590       118.8582  888.5873 6.688043  911.2339 6.521828  -22.64655      9.341528  
1 1 1 11 10 6  o 751.6198 3.930974  5651.578       41.78430  5658.297       83.56860  5644.860       83.56860  752.0667 5.555930  751.1728 5.562542  0.8939209      7.861948  
1 1 1 11 10 7  o 648.1777 3.392399  4203.556       31.08688  4080.833       62.17375  4326.279       62.17375  638.7109 4.867127  657.6445 4.727003  -18.93353      6.784798  
1 1 1 11 10 8  o 459.6306 2.467515  2113.040       16.03900  2126.496       32.07799  2099.584       32.07799  461.0944 3.478463  458.1668 3.500690  2.927643       4.935031  
1 1 1 11 10 9  o 113.0988 0.9717680 127.9689       1.553391  133.0293       3.106781  122.9085       3.106781  115.3360 1.346840  110.8616 1.401198  4.474342       1.943536  
1 1 1 11 10 10 o 309.3157 1.794075  956.9601       7.847958  959.2712       15.69592  954.6490       15.69592  309.6893 2.534140  308.9421 2.540268  0.7471313      3.588151  
1 1 1 11 10 11 o 237.2615 1.409149  563.1375       4.726882  578.7095       9.453763  547.5654       9.453763  240.5431 1.965087  233.9799 2.020208  6.563202       2.818299  
1 1 1 11 10 12 o 282.5062 1.682362  800.0629       6.699593  725.7098       13.39919  874.4160       13.39919  269.3466 2.487350  295.6658 2.265935  -26.31912      3.364724  
1 1 1 11 10 13 o 207.6500 1.413834  431.4042       4.150317  417.7191       8.300633  445.0893       8.300633  204.3547 2.030937  210.9452 1.967486  -6.590469      2.827668  
1 1 1 11 10 14 o 271.5182 1.668764  738.1893       6.399398  781.7939       12.79880  694.5848       12.79880  279.5480 2.289195  263.4885 2.428720  16.05951       3.337528  
1 1 1 11 10 15 o 95.84122 1.825305  91.93118       2.473036  94.91885       4.946072  88.94352       4.946072  97.39987 2.539055  94.28258 2.623004  3.117294       3.650609  
1 1 1 11 10 16 o 283.6855 1.833898  805.3044       7.357163  797.0895       14.71433  813.5193       14.71433  282.2377 2.606726  285.1335 2.580252  -2.895782      3.667796  
1 1 1 11 10 17 o 94.51519 2.223160  89.60110       2.963831  82.14863       5.927662  97.05357       5.927662  90.57272 3.272322  98.45766 3.010260  -7.884949      4.446320  
1 1 1 11 10 18 o 229.5638 1.950217  527.9860       6.327922  507.7491       12.65584  548.2230       12.65584  225.1561 2.810461  233.9715 2.704570  -8.815414      3.900435  
1 1 1 11 10 19 o 161.5753 2.039134  261.8654       4.655407  274.4451       9.310814  249.2858       9.310814  165.4681 2.813477  157.6825 2.952393  7.785599       4.078269  
1 1 1 11 10 20 o 99.53593 3.343956  99.93161       4.703057  95.17615       9.406114  104.6871       9.406114  97.14711 4.841170  101.9248 4.614244  -4.777641      6.687913  
1 1 1 11 10 21 o 68.65020 5.399015  49.32730       5.093787  62.32622       10.18757  36.32838       10.18757  78.11771 6.520656  59.18269 8.606887  18.93501       10.79803  
1 1 1 11 10 22 o 26.66291 8.023323  -3.264026      5.870482  8.624654       11.74096  -15.15271      11.74096  32.68126 12.62674  20.64456 9.902536  12.03670       16.04665  
1 1 1 11 10 23 o 58.45337 9.083245  39.94501       7.566823  53.35849       15.13365  26.53153       15.13365  69.87196 10.82956  47.03478 14.58568  22.83718       18.16649  
1 1 1 11 10 24 o 26.99439 12.17970  -2.468271      13.93286  -2.468271      13.93286  ?              ?         26.99439 12.17970  ?        ?         ?              ?         
1 1 1 11 11 0  o 1317.232 19.24309  17392.35       506.7103  17392.35       506.7103  17392.35       506.7103  1317.232 19.24309  1317.232 19.24309  -0.000000      0.000000  
1 1 1 11 11 1  o 601.2147 6.336532  3617.132       76.17332  3617.132       76.17332  3617.132       76.17332  601.2147 6.336532  601.2147 6.336532  -0.000000      0.000000  
1 1 1 11 11 2  f 72.55634 1.577816  52.71999       2.287201  52.71999       2.287201  52.71999       2.287201  72.55634 1.577816  72.55634 1.577816  0.000000       0.000000  
1 1 1 11 11 3  o 601.4590 6.315720  3619.743       75.95413  3619.743       75.95413  3619.743       75.95413  601.4590 6.315720  601.4590 6.315720  0.000000       0.000000  
1 1 1 11 11 4  o 1040.265 10.73025  10832.18       223.1927  10832.18       223.1927  10832.18       223.1927  1040.265 10.73025  1040.265 10.73025  0.000000       0.000000  
1 1 1 11 11 5  o 488.9939 5.511111  2392.517       53.88265  2392.517       53.88265  2392.517       53.88265  488.9939 5.511111  488.9939 5.511111  0.000000       0.000000  
1 1 1 11 11 6  o 127.0703 2.059902  161.6003       5.231973  161.6003       5.231973  161.6003       5.231973  127.0703 2.059902  127.0703 2.059902  -0.000000      0.000000  
1 1 1 11 11 7  o 775.2407 8.235913  6015.090       127.6639  6015.090       127.6639  6015.090       127.6639  775.2407 8.235913  775.2407 8.235913  -0.000000      0.000000  
1 1 1 11 11 8  o 239.9596 2.840517  576.0887       13.62791  576.0887       13.62791  576.0887       13.62791  239.9596 2.840517  239.9596 2.840517  -0.000000      0.000000  
1 1 1 11 11 9  o 413.0345 4.689819  1707.081       38.72993  1707.081       38.72993  1707.081       38.72993  413.0345 4.689819  413.0345 4.689819  0.000000       0.000000  
1 1 1 11 11 10 f 389.2716 4.308727  1516.357       33.53608  1516.357       33.53608  1516.357       33.53608  389.2716 4.308727  389.2716 4.308727  0.000000       0.000000  
1 1 1 11 11 11 o 299.1521 3.503724  895.5439       20.95648  895.5439       20.95648  895.5439       20.95648  299.1521 3.503724  299.1521 3.503724  -0.000000      0.000000  
1 1 1 11 11 12 o 74.37218 2.963825  55.58851       4.393332  55.58851       4.393332  55.58851       4.393332  74.37218 2.963825  74.37218 2.963825  0.000000       0.000000  
1 1 1 11 11 13 o 178.6086 2.666507  319.3028       9.520474  319.3028       9.520474  319.3028       9.520474  178.6086 2.666507  178.6086 2.666507  0.000000       0.000000  
1 1 1 11 11 14 o 45.75435 6.263330  21.51875       5.632232  21.51875       5.632232  21.51875       5.632232  45.75435 6.263330  45.75435 6.263330  0.000000       0.000000  
1 1 1 11 11 15 o 91.27156 3.862587  83.80685       7.023612  83.80685       7.023612  83.80685       7.023612  91.27156 3.862587  91.27156 3.862587  0.000000       0.000000  
1 1 1 11 11 16 o 497.2400 5.542378  2477.239       55.10249  2477.239       55.10249  2477.239       55.10249  497.2400 5.542378  497.2400 5.542378  -0.000000      0.000000  
1 1 1 11 11 17 o 162.0184 3.296991  263.0281       10.67360  263.0281       10.67360  263.0281       10.67360  162.0184 3.296991  162.0184 3.296991  -0.000000      0.000000  
1 1 1 11 11 18 o 45.94577 10.87859  24.53023       8.672303  24.53023       8.672303  24.53023       8.672303  45.94577 10.87859  45.94577 10.87859  -0.000000      0.000000  
1 1 1 11 11 19 o 14.17932 9.944770  -8.777133      10.06368  -8.777133      10.06368  -8.777133      10.06368  14.17932 9.944770  14.17932 9.944770  0.000000       0.000000  
1 1 1 11 11 20 o 192.0115 4.283058  370.4980       16.42973  370.4980       16.42973  370.4980       16.42973  192.0115 4.283058  192.0115 4.283058  0.000000       0.000000  
1 1 1 11 11 21 o 20.00244 13.01513  0.6385102      12.15075  0.6385102      12.15075  0.6385102      12.15075  20.00244 13.01513  20.00244 13.01513  -0.000000      0.000000  
1 1 1 11 11 22 o 166.5390 5.953599  281.2018       19.77476  281.2018       19.77476  281.2018       19.77476  166.5390 5.953599  166.5390 5.953599  0.000000       0.000000  
1 1 1 11 11 23 o 23.74233 16.03426  -3.907302      21.41392  -3.907302      21.41392  -3.907302      21.41392  23.74233 16.03426  23.74233 16.03426  -0.000000      0.000000  
1 1 1 11 11 24 o 17.82825 12.82824  -22.33833      19.75570  -22.33833      19.75570  -22.33833      19.75570  17.82825 12.82824  17.82825 12.82824  0.000000       0.000000  
1 1 1 12 0  0  o 161.0549 2.848181  259.6450       9.167863  259.6450       9.167863  259.6450       9.167863  161.0549 2.848181  161.0549 2.848181  0.000000       0.000000  
1 1 1 12 0  1  f 116.7144 1.964983  136.3458       4.583931  136.3458       4.583931  136.3458       4.583931  116.7144 1.964983  116.7144 1.964983  -0.000000      0.000000  
1 1 1 12 0  2  o 157.1990 2.119666  247.2655       6.661473  247.2655       6.661473  247.2655       6.661473  157.1990 2.119666  157.1990 2.119666  -0.000000      0.000000  
1 1 1 12 0  3  o 78.01756 1.852924  60.97296       2.887591  60.97296       2.887591  60.97296       2.887591  78.01756 1.852924  78.01756 1.852924  -0.000000      0.000000  
1 1 1 12 0  4  o 620.1327 6.906622  3849.035       85.63660  3849.035       85.63660  3849.035       85.63660  620.1327 6.906622  620.1327 6.906622  0.000000       0.000000  
1 1 1 12 0  5  o 90.45970 1.523285  81.90086       2.754171  81.90086       2.754171  81.90086       2.754171  90.45970 1.523285  90.45970 1.523285  -0.000000      0.000000  
1 1 1 12 0  6  o 587.9654 6.263727  3459.039       73.63834  3459.039       73.63834  3459.039       73.63834  587.9654 6.263727  587.9654 6.263727  -0.000000      0.000000  
1 1 1 12 0  7  o 333.2830 3.669651  1111.275       24.45399  1111.275       24.45399  1111.275       24.45399  333.2830 3.669651  333.2830 3.669651  0.000000       0.000000  
1 1 1 12 0  8  o 400.2045 4.361292  1602.404       34.89887  1602.404       34.89887  1602.404       34.89887  400.2045 4.361292  400.2045 4.361292  0.000000       0.000000  
1 1 1 12 0  9  o 1194.875 12.30948  14299.20       294.0959  14299.20       294.0959  14299.20       294.0959  1194.875 12.30948  1194.875 12.30948  0.000000       0.000000  
1 1 1 12 0  10 o 95.82894 2.140509  91.97406       4.097902  91.97406       4.097902  91.97406       4.097902  95.82894 2.140509  95.82894 2.140509  0.000000       0.000000  
1 1 1 12 0  11 o 536.1220 5.741287  2876.832       61.54477  2876.832       61.54477  2876.832       61.54477  536.1220 5.741287  536.1220 5.741287  -0.000000      0.000000  
1 1 1 12 0  12 o 122.1300 2.178632  149.3161       5.317742  149.3161       5.317742  149.3161       5.317742  122.1300 2.178632  122.1300 2.178632  -0.000000      0.000000  
1 1 1 12 0  13 o 229.7939 3.080534  528.4768       14.15206  528.4768       14.15206  528.4768       14.15206  229.7939 3.080534  229.7939 3.080534  -0.000000      0.000000  
1 1 1 12 0  14 o 131.1379 2.651296  172.2262       6.947372  172.2262       6.947372  172.2262       6.947372  131.1379 2.651296  131.1379 2.651296  0.000000       0.000000  
1 1 1 12 0  15 o 169.4589 2.731936  287.4726       9.253633  287.4726       9.253633  287.4726       9.253633  169.4589 2.731936  169.4589 2.731936  0.000000       0.000000  
1 1 1 12 0  16 o 276.9171 3.452993  767.6418       19.11719  767.6418       19.11719  767.6418       19.11719  276.9171 3.452993  276.9171 3.452993  0.000000       0.000000  
1 1 1 12 0  17 o 44.01282 9.231883  21.80465       7.157033  21.80465       7.157033  21.80465       7.157033  44.01282 9.231883  44.01282 9.231883  0.000000       0.000000  
1 1 1 12 0  18 o 151.5202 4.053774  230.3783       12.26511  230.3783       12.26511  230.3783       12.26511  151.5202 4.053774  151.5202 4.053774  -0.000000      0.000000  
1 1 1 12 0  19 o 50.43147 9.304946  27.93244       8.481703  27.93244       8.481703  27.93244       8.481703  50.43147 9.304946  50.43147 9.304946  0.000000       0.000000  
1 1 1 12 0  20 o 24.31587 14.22299  7.719304       11.34070  7.719304       11.34070  7.719304       11.34070  24.31587 14.22299  24.31587 14.22299  0.000000       0.000000  
1 1 1 12 0  21 o 80.85332 9.491216  69.14970       14.99070  69.14970       14.99070  69.14970       14.99070  80.85332 9.491216  80.85332 9.491216  -0.000000      0.000000  
1 1 1 12 0  22 o 63.20584 13.02102  45.96321       14.54279  45.96321       14.54279  45.96321       14.54279  63.20584 13.02102  63.20584 13.02102  -0.000000      0.000000  
1 1 1 12 0  23 o 93.89184 11.03668  95.13803       20.24173  95.13803       20.24173  95.13803       20.24173  93.89184 11.03668  93.89184 11.03668  -0.000000      0.000000  
1 1 1 12 0  24 o 99.80276 10.27434  107.2983       20.11784  107.2983       20.11784  107.2983       20.11784  99.80276 10.27434  99.80276 10.27434  0.000000       0.000000  
1 1 1 12 1  0  o 352.5988 3.790294  1243.942       26.72213  1243.942       26.72213  1243.942       26.72213  352.5988 3.790294  352.5988 3.790294  -0.000000      0.000000  
1 1 1 12 1  1  o 700.6677 3.685839  4915.167       36.49992  5115.639       72.99983  4714.693       72.99983  714.9736 5.105072  686.3619 5.317882  28.61169       7.371677  
1 1 1 12 1  2  o 435.7747 2.575165  1905.996       15.79122  2124.962       31.58243  1687.030       31.58243  460.8984 3.426181  410.6509 3.845411  50.24756       5.150331  
1 1 1 12 1  3  o 438.3722 2.512914  1922.478       15.57679  1958.616       31.15358  1886.340       31.15358  442.4940 3.520227  434.2504 3.587053  8.243622       5.025828  
1 1 1 12 1  4  f 244.8548 1.453392  601.1813       5.012782  662.9166       10.02556  539.4459       10.02556  257.4613 1.947004  232.2482 2.158372  25.21307       2.906785  
1 1 1 12 1  5  o 371.9397 1.996315  1385.138       10.48301  1292.478       20.96601  1477.799       20.96601  359.4833 2.916131  384.3960 2.727137  -24.91272      3.992630  
1 1 1 12 1  6  o 565.5254 2.966329  3199.637       23.71542  3100.768       47.43083  3298.506       47.43083  556.7841 4.259356  574.2667 4.129686  -17.48267      5.932658  
1 1 1 12 1  7  o 630.4158 3.334115  3985.233       29.61449  3589.123       59.22897  4381.343       59.22897  598.9993 4.943994  661.8324 4.474620  -62.83313      6.668231  
1 1 1 12 1  8  o 129.8727 1.006898  169.2862       1.839291  189.6185       3.678581  148.9540       3.678581  137.7004 1.335719  122.0449 1.507061  15.65553       2.013797  
1 1 1 12 1  9  o 460.5463 2.442833  2121.446       15.91034  2130.022       31.82068  2112.869       31.82068  461.4775 3.447696  459.6152 3.461666  1.862335       4.885667  
1 1 1 12 1  10 o 443.7439 2.389803  1972.672       14.96210  2128.240       29.92421  1817.105       29.92421  461.2729 3.243656  426.2148 3.510461  35.05804       4.779607  
1 1 1 12 1  11 o 126.9864 1.064247  162.1006       1.896471  138.9189       3.792941  185.2823       3.792941  117.8588 1.609105  136.1140 1.393295  -18.25527      2.128495  
1 1 1 12 1  12 o 215.1202 1.359719  462.8913       4.136022  471.9544       8.272044  453.8283       8.272044  217.2267 1.904012  213.0137 1.941669  4.212967       2.719438  
1 1 1 12 1  13 o 218.0312 1.370072  475.6806       4.221792  455.9535       8.443583  495.4077       8.443583  213.5073 1.977352  222.5552 1.896964  -9.047852      2.740145  
1 1 1 12 1  14 o 148.8404 1.278314  221.7680       2.687461  209.1169       5.374923  234.4190       5.374923  144.5905 1.858670  153.0903 1.755475  -8.499756      2.556628  
1 1 1 12 1  15 o 158.8497 1.409001  252.7357       3.159196  234.6573       6.318392  270.8141       6.318392  153.1593 2.062687  164.5401 1.920016  -11.38083      2.818003  
1 1 1 12 1  16 o 88.21085 2.109566  79.13715       2.568336  98.94049       5.136672  59.33381       5.136672  99.43585 2.582907  76.98584 3.336115  22.45001       4.219132  
1 1 1 12 1  17 o 275.6542 1.839333  760.7516       7.166563  789.2464       14.33313  732.2569       14.33313  280.8228 2.551988  270.4856 2.649517  10.33716       3.678666  
1 1 1 12 1  18 o 51.49911 4.245213  26.69830       3.087722  25.12109       6.175443  28.27552       6.175443  49.96781 6.179422  53.03042 5.822548  -3.062611      8.490425  
1 1 1 12 1  19 o 96.63509 2.802493  94.07067       3.807237  105.8307       7.614474  82.31065       7.614474  102.7198 3.706427  90.55033 4.204553  12.16952       5.604986  
1 1 1 12 1  20 o 120.1237 2.524348  145.0133       4.283737  137.2606       8.567473  152.7660       8.567473  116.8967 3.664548  123.3506 3.472813  -6.453896      5.048697  
1 1 1 12 1  21 o 40.65168 5.678726  16.60127       4.102666  38.11049       8.205333  -4.907952      8.205333  61.19174 6.704608  20.11163 9.167331  41.08012       11.35745  
1 1 1 12 1  22 o 71.33838 6.305614  52.93917       6.361277  53.52050       12.72255  52.35784       12.72255  71.74582 8.866408  70.93094 8.968269  0.8148804      12.61123  
1 1 1 12 1  23 o 98.19623 5.718913  100.6702       7.928963  94.31846       15.85793  107.0219       15.85793  94.96201 8.349616  101.4304 7.817144  -6.468422      11.43783  
1 1 1 12 1  24 o 24.27714 7.973055  -8.314929      6.628118  -10.17804      13.25624  -6.451812      13.25624  23.57012 11.05675  24.98415 11.49029  -1.414030      15.94611  
1 1 1 12 2  0  o 695.3013 7.247601  4839.603       100.7607  4839.603       100.7607  4839.603       100.7607  695.3013 7.247601  695.3013 7.247601  0.000000       0.000000  
1 1 1 12 2  1  o 379.6474 2.048344  1443.743       10.97380  1553.305       21.94760  1334.182       21.94760  394.0768 2.784686  365.2180 3.004726  28.85883       4.096688  
1 1 1 12 2  2  o 286.0906 1.670703  818.8275       6.756773  845.9308       13.51355  791.7242       13.51355  290.8275 2.323293  281.3538 2.401522  9.473694       3.341407  
1 1 1 12 2  3  f 614.1893 3.480134  3785.555       30.09575  4193.764       60.19150  3377.348       60.19150  647.4207 4.648562  580.9578 5.180367  66.46289       6.960268  
1 1 1 12 2  4  o 99.85370 0.7937831 99.77914       1.119775  105.0206       2.239551  94.53764       2.239551  102.4783 1.092695  97.22911 1.151687  5.249184       1.587566  
1 1 1 12 2  5  o 152.7853 0.9632171 236.9540       2.034656  294.2293       4.069312  179.6787       4.069312  171.5290 1.186188  134.0416 1.517929  37.48746       1.926434  
1 1 1 12 2  6  o 1045.357 5.376314  10935.34       79.48023  10874.31       158.9605  10996.39       158.9605  1042.437 7.624461  1048.276 7.581992  -5.839233      10.75263  
1 1 1 12 2  7  o 458.4510 2.429569  2103.696       15.73404  1987.596       31.46807  2219.795       31.46807  445.7889 3.529481  471.1132 3.339758  -25.32425      4.859138  
1 1 1 12 2  8  o 500.0113 2.652225  2502.217       18.73599  2373.972       37.47198  2630.462       37.47198  487.1870 3.845749  512.8355 3.653411  -25.64850      5.304451  
1 1 1 12 2  9  o 300.2405 1.720456  903.9161       7.276158  996.6860       14.55232  811.1462       14.55232  315.6898 2.304844  284.7913 2.554909  30.89850       3.440911  
1 1 1 12 2  10 o 456.5136 2.444224  2086.999       15.75310  2227.820       31.50620  1946.179       31.50620  471.9371 3.337965  441.0902 3.571400  30.84686       4.888447  
1 1 1 12 2  11 o 210.9417 1.300527  445.0893       3.878712  456.6206       7.757423  433.5580       7.757423  213.6750 1.815239  208.2084 1.862899  5.466599       2.601054  
1 1 1 12 2  12 o 194.1017 1.335945  383.2777       3.573751  284.5850       7.147503  481.9704       7.147503  168.6787 2.118674  219.5246 1.627950  -50.84589      2.671891  
1 1 1 12 2  13 o 190.0988 1.325508  363.9842       3.526102  303.4067       7.052203  424.5617       7.052203  174.1657 2.024568  206.0320 1.711434  -31.86630      2.651015  
1 1 1 12 2  14 o 188.4309 1.362463  355.4548       3.626166  375.9777       7.252333  334.9320       7.252333  193.8766 1.870347  182.9852 1.981672  10.89145       2.724926  
1 1 1 12 2  15 o 349.4849 2.025031  1222.757       10.00174  1170.370       20.00348  1275.143       20.00348  341.9901 2.924569  356.9797 2.801767  -14.98959      4.050062  
1 1 1 12 2  16 o 156.7538 1.491769  245.8312       3.306911  243.7203       6.613823  247.9421       6.613823  156.0804 2.118722  157.4271 2.100599  -1.346634      2.983538  
1 1 1 12 2  17 o 159.8327 1.689230  255.7138       3.816766  247.3703       7.633533  264.0574       7.633533  157.2226 2.427620  162.4428 2.349607  -5.220169      3.378460  
1 1 1 12 2  18 o 167.3284 1.952464  281.6069       4.588697  319.4553       9.177394  243.7584       9.177394  178.6380 2.568713  156.0188 2.941119  22.61923       3.904928  
1 1 1 12 2  19 o 28.22070 6.590340  6.080142       3.521337  -1.400911      7.042673  13.56120       7.042673  20.59877 9.009382  35.84263 9.620881  -15.24386      13.18068  
1 1 1 12 2  20 o 35.50903 7.133217  13.17047       3.926362  18.44056       7.852723  7.900373       7.852723  41.50499 9.636754  29.51306 10.51970  11.99192       14.26643  
1 1 1 12 2  21 o 59.58525 6.842778  38.54410       5.384452  52.29113       10.76890  24.79707       10.76890  71.50802 7.529859  47.66249 11.42785  23.84553       13.68556  
1 1 1 12 2  22 o 39.17402 8.971400  16.08188       5.851423  10.46395       11.70285  21.69982       11.70285  34.18673 12.75723  44.16131 12.61734  -9.974575      17.94280  
1 1 1 12 2  23 o 25.27865 8.277773  -20.03683      7.747893  3.192551       15.49579  -43.26622      15.49579  31.97086 13.66091  18.58644 9.352308  13.38442       16.55555  
1 1 1 12 2  24 o 26.61735 12.36797  -8.805723      15.86746  -8.805723      15.86746  ?              ?         26.61735 12.36797  ?        ?         ?              ?         
1 1 1 12 2  25 o 26.16220 12.24820  -4.507692      15.97229  -4.507692      15.97229  ?              ?         26.16220 12.24820  ?        ?         ?              ?         
1 1 1 12 3  0  o 176.8569 2.110288  312.9367       7.461993  312.9367       7.461993  312.9367       7.461993  176.8569 2.110288  176.8569 2.110288  0.000000       0.000000  
1 1 1 12 3  1  o 286.4464 1.572732  820.6524       6.370807  829.4249       12.74161  811.8801       12.74161  287.9777 2.212258  284.9152 2.236037  3.062469       3.145464  
1 1 1 12 3  2  o 140.1327 0.8976619 196.4992       1.777346  186.8262       3.554691  206.1721       3.554691  136.6813 1.300358  143.5840 1.237844  -6.902695      1.795324  
1 1 1 12 3  3  f 496.6844 2.712593  2468.104       19.05048  2415.380       38.10096  2520.829       38.10096  491.3768 3.876959  501.9922 3.794975  -10.61539      5.425187  
1 1 1 12 3  4  o 466.0983 2.501394  2173.570       16.48214  2241.867       32.96428  2105.273       32.96428  473.4247 3.481471  458.7719 3.592666  14.65283       5.002788  
1 1 1 12 3  5  f 507.8871 2.680222  2581.001       19.24108  2485.463       38.48215  2676.540       38.48215  498.4816 3.859937  517.2925 3.719574  -18.81085      5.360443  
1 1 1 12 3  6  o 1002.375 5.218106  10055.54       73.95283  10308.32       147.9057  9802.753       147.9057  1014.984 7.286109  989.7653 7.471755  25.21844       10.43621  
1 1 1 12 3  7  o 330.4705 1.792401  1092.200       8.376874  1094.912       16.75375  1089.489       16.75375  330.8807 2.531690  330.0603 2.537983  0.8204346      3.584803  
1 1 1 12 3  8  o 463.1214 2.489871  2145.313       16.30584  2180.370       32.61168  2110.257       32.61168  466.9062 3.492316  459.3366 3.549866  7.569519       4.979741  
1 1 1 12 3  9  o 558.9195 2.965657  3130.106       23.38187  2872.705       46.76373  3387.506       46.76373  535.8929 4.363160  581.9461 4.017875  -46.05322      5.931314  
1 1 1 12 3  10 o 178.2874 1.166946  318.3927       2.935241  343.8235       5.870482  292.9619       5.870482  185.4193 1.583029  171.1554 1.714957  14.26393       2.333893  
1 1 1 12 3  11 o 151.2471 1.116308  230.6404       2.358676  189.3326       4.717352  271.9482       4.717352  137.5913 1.714262  164.9028 1.430343  -27.31148      2.232617  
1 1 1 12 3  12 o 357.7109 1.987520  1281.285       10.03986  1360.932       20.07972  1201.638       20.07972  368.8438 2.721981  346.5781 2.896854  22.26575       3.975040  
1 1 1 12 3  13 o 297.1771 1.747362  883.5125       7.342868  898.6031       14.68574  868.4216       14.68574  299.7161 2.449941  294.6380 2.492166  5.078064       3.494725  
1 1 1 12 3  14 o 176.7748 1.347699  312.5984       3.368856  317.8352       6.737713  307.3617       6.737713  178.2560 1.889898  175.2936 1.921837  2.962372       2.695398  
1 1 1 12 3  15 o 226.7281 1.578934  514.4153       5.060432  496.5513       10.12086  532.2793       10.12086  222.7886 2.271406  230.6676 2.193820  -7.879028      3.157868  
1 1 1 12 3  16 o 200.7623 1.558093  403.3622       4.421922  389.9868       8.843843  416.7375       8.843843  197.4311 2.239729  204.0934 2.166617  -6.662277      3.116186  
1 1 1 12 3  17 o 247.3199 1.818354  613.0079       6.346982  658.0945       12.69396  567.9215       12.69396  256.4348 2.475086  238.2048 2.664506  18.23000       3.636708  
1 1 1 12 3  18 o 222.2076 1.938946  495.8366       6.065848  549.8240       12.13170  441.8491       12.13170  234.3556 2.588310  210.0596 2.887679  24.29596       3.877891  
1 1 1 12 3  19 o 87.88843 2.924551  77.73148       3.621402  70.00741       7.242803  85.45554       7.242803  83.49419 4.337310  92.28268 3.924248  -8.788490      5.849101  
1 1 1 12 3  20 o 28.54449 6.666102  6.180207       3.645226  -1.925061      7.290452  14.28548       7.290452  20.52772 9.063760  36.56127 9.777318  -16.03355      13.33220  
1 1 1 12 3  21 o 182.2449 2.742579  334.5127       7.056968  312.5651       14.11394  356.4603       14.11394  176.2234 4.004557  188.2664 3.748396  -12.04291      5.485157  
1 1 1 12 3  22 o 130.5851 3.288753  172.4597       6.070612  166.3748       12.14122  178.5446       12.14122  128.2552 4.733228  132.9150 4.567291  -4.659729      6.577506  
1 1 1 12 3  23 o 30.95743 8.967968  3.440331       6.632883  12.37947       13.26577  -5.498813      13.26577  36.09099 13.55963  25.82387 11.74028  10.26712       17.93594  
1 1 1 12 3  24 o 105.7163 6.589187  120.5593       9.849260  118.0005       19.69852  123.1181       19.69852  104.5061 9.424577  106.9266 9.211238  -2.420441      13.17837  
1 1 1 12 4  0  o 122.0888 1.561732  149.1350       3.812001  149.1350       3.812001  149.1350       3.812001  122.0888 1.561732  122.0888 1.561732  -0.000000      0.000000  
1 1 1 12 4  1  o 344.0704 1.869484  1184.098       9.096388  1172.753       18.19278  1195.444       18.19278  342.4217 2.656487  345.7191 2.631150  -3.297455      3.738967  
1 1 1 12 4  2  o 193.2601 1.182150  373.5428       3.230671  367.9153       6.461343  379.1703       6.461343  191.8042 1.684360  194.7160 1.659171  -2.911865      2.364300  
1 1 1 12 4  3  o 651.4169 3.463692  4253.607       31.82068  4618.373       63.64137  3888.842       63.64137  679.4148 4.683543  623.4191 5.104220  55.99573       6.927383  
1 1 1 12 4  4  o 591.6095 3.129029  3508.647       26.09792  3827.707       52.19584  3189.587       52.19584  618.5750 4.219038  564.6440 4.622012  53.93091       6.258058  
1 1 1 12 4  5  o 181.3490 1.085173  328.9138       2.782761  322.9718       5.565523  334.8557       5.565523  179.7107 1.548467  182.9873 1.520740  -3.276520      2.170346  
1 1 1 12 4  6  o 334.0474 1.869370  1120.528       8.777134  977.8166       17.55427  1263.240       17.55427  312.6864 2.807008  355.4084 2.469591  -42.72202      3.738739  
1 1 1 12 4  7  o 151.8641 1.008761  230.8596       2.163311  216.4073       4.326622  245.3119       4.326622  147.1058 1.470581  156.6224 1.381227  -9.516571      2.017523  
1 1 1 12 4  8  o 341.7407 1.874295  1168.807       9.048738  1106.643       18.09748  1230.972       18.09748  332.6454 2.720235  350.8359 2.579194  -18.19046      3.748590  
1 1 1 12 4  9  o 469.6224 2.505822  2206.596       16.63462  2284.094       33.26925  2129.098       33.26925  477.8735 3.480968  461.3713 3.605474  16.50220       5.011644  
1 1 1 12 4  10 o 215.8382 1.330789  466.0792       4.059782  447.8340       8.119563  484.3243       8.119563  211.6116 1.918506  220.0648 1.844812  -8.453201      2.661578  
1 1 1 12 4  11 f 350.8531 1.945051  1234.703       9.611010  1105.233       19.22202  1364.172       19.22202  332.4024 2.891377  369.3039 2.602466  -36.90143      3.890102  
1 1 1 12 4  12 o 189.9606 1.281989  362.4975       3.421271  314.5664       6.842543  410.4287       6.842543  177.3446 1.929166  202.5767 1.688877  -25.23215      2.563979  
1 1 1 12 4  13 o 184.2481 1.276967  339.9543       3.321206  363.7698       6.642413  316.1388       6.642413  190.7110 1.741487  177.7852 1.868101  12.92578       2.553934  
1 1 1 12 4  14 o 145.5895 1.284277  212.2523       2.639811  226.4520       5.279623  198.0525       5.279623  150.4662 1.754422  140.7129 1.876026  9.753250       2.568554  
1 1 1 12 4  15 o 265.0671 1.686371  703.1571       6.318392  728.8260       12.63678  677.4879       12.63678  269.9091 2.340934  260.2251 2.428049  9.683990       3.372743  
1 1 1 12 4  16 o 284.1765 1.828436  808.4969       7.342868  844.1392       14.68574  772.8547       14.68574  290.4476 2.528121  277.9053 2.642219  12.54227       3.656873  
1 1 1 12 4  17 o 149.4355 1.700191  223.8789       3.583282  242.9294       7.166563  204.8284       7.166563  155.8096 2.299782  143.0613 2.504717  12.74831       3.400383  
1 1 1 12 4  18 o 80.71252 2.947312  65.76180       3.330736  55.13107       6.661473  76.39251       6.661473  74.12698 4.493285  87.29807 3.815361  -13.17109      5.894624  
1 1 1 12 4  19 f 128.6582 2.411137  166.4129       4.369507  183.5288       8.739014  149.2970       8.739014  135.3099 3.229259  122.0065 3.581371  13.30337       4.822274  
1 1 1 12 4  20 f 106.8251 3.487251  115.3893       5.246267  103.3243       10.49253  127.4543       10.49253  101.1781 5.185182  112.4722 4.664501  -11.29414      6.974502  
1 1 1 12 4  21 o 142.3832 2.891497  207.4062       5.679882  155.3772       11.35976  259.4353       11.35976  124.1125 4.576400  160.6540 3.535475  -36.54156      5.782994  
1 1 1 12 4  22 o 127.8540 3.349155  165.5076       6.046787  155.2628       12.09357  175.7523       12.09357  123.8475 4.882445  131.8604 4.585750  -8.012856      6.698311  
1 1 1 12 4  23 o 64.24222 7.269341  44.16204       6.604293  44.37170       13.20859  43.95238       13.20859  64.40540 10.25425  64.07904 10.30648  0.3263550      14.53868  
1 1 1 12 4  24 o 73.40176 8.921595  62.43106       8.991558  55.02625       17.98312  69.83587       17.98312  67.78670 13.74376  79.01684 11.37929  -11.23014      17.84319  
1 1 1 12 5  0  o 515.4237 5.487275  2658.594       56.55104  2658.594       56.55104  2658.594       56.55104  515.4237 5.487275  515.4237 5.487275  -0.000000      0.000000  
1 1 1 12 5  1  o 110.2619 0.8112823 123.2706       1.238901  94.60435       2.477801  151.9368       2.477801  97.26270 1.273767  123.2610 1.005103  -25.99833      1.622565  
1 1 1 12 5  2  f 355.1138 1.934336  1263.226       9.692014  1164.405       19.38403  1362.047       19.38403  341.1998 2.840569  369.0278 2.626364  -27.82806      3.868672  
1 1 1 12 5  3  o 371.0680 1.997442  1382.079       10.42582  1546.805       20.85165  1217.353       20.85165  393.2642 2.651099  348.8717 2.988441  44.39246       3.994885  
1 1 1 12 5  4  o 1053.938 5.495756  11121.04       81.91039  11003.15       163.8208  11238.92       163.8208  1048.345 7.813305  1059.530 7.730822  -11.18530      10.99151  
1 1 1 12 5  5  o 202.5216 1.179569  410.1666       3.378386  409.8093       6.756773  410.5240       6.756773  202.4333 1.668889  202.6098 1.667435  -0.1764832     2.359137  
1 1 1 12 5  6  o 476.9467 2.534063  2275.146       17.09206  2259.469       34.18413  2290.822       34.18413  475.3032 3.596034  478.5901 3.571336  -3.286926      5.068126  
1 1 1 12 5  7  o 883.3510 4.579884  7808.218       57.20385  7978.472       114.4077  7637.964       114.4077  892.9877 6.405894  873.7142 6.547204  19.27350       9.159768  
1 1 1 12 5  8  o 498.5137 2.638879  2487.932       18.57874  2337.700       37.15749  2638.163       37.15749  483.4459 3.842983  513.5816 3.617486  -30.13574      5.277758  
1 1 1 12 5  9  o 300.4942 1.679019  903.2252       7.133208  927.9269       14.26642  878.5234       14.26642  304.6044 2.341794  296.3840 2.406745  8.220398       3.358039  
1 1 1 12 5  10 o 225.1469 1.343825  507.3203       4.274207  480.1407       8.548413  534.4998       8.548413  219.1109 1.950705  231.1828 1.848843  -12.07193      2.687651  
1 1 1 12 5  11 f 478.0175 2.589422  2288.850       17.47326  2447.743       34.94653  2129.956       34.94653  494.6376 3.532539  461.3974 3.787031  33.24014       5.178845  
1 1 1 12 5  12 o 100.9549 1.153250  102.4333       1.634396  116.7330       3.268791  88.13348       3.268791  108.0372 1.512809  93.87265 1.741078  14.16451       2.306500  
1 1 1 12 5  13 o 236.1376 1.498988  558.3010       4.998487  523.3593       9.996975  593.2427       9.996975  228.7390 2.185236  243.5362 2.052462  -14.79720      2.997976  
1 1 1 12 5  14 o 65.55650 2.099224  43.67125       1.901236  32.95475       3.802472  54.38773       3.802472  57.38302 3.313238  73.72997 2.578647  -16.34695      4.198448  
1 1 1 12 5  15 o 138.0551 1.465366  191.8056       2.835176  221.4106       5.670352  162.2007       5.670352  148.7773 1.905651  127.3330 2.226584  21.44431       2.930731  
1 1 1 12 5  16 o 64.86820 2.455724  42.29415       2.239551  37.01453       4.479102  47.57378       4.479102  60.79870 3.683551  68.93771 3.248659  -8.139004      4.911449  
1 1 1 12 5  17 o 150.5994 1.754064  226.9809       3.735762  225.7944       7.471523  228.1673       7.471523  150.2055 2.487101  150.9933 2.474124  -0.7878418     3.508128  
1 1 1 12 5  18 o 203.0947 1.837743  413.1256       5.274857  430.4607       10.54971  395.7906       10.54971  207.3624 2.543786  198.8270 2.652989  8.535461       3.675486  
1 1 1 12 5  19 o 233.9942 2.034653  548.6281       6.732948  551.7491       13.46590  545.5070       13.46590  234.6611 2.869222  233.3273 2.885624  1.333832       4.069307  
1 1 1 12 5  20 o 85.96886 3.832422  74.80578       4.645877  81.30999       9.291754  68.30154       9.291754  89.75176 5.176363  82.18596 5.652884  7.565804       7.664844  
1 1 1 12 5  21 o 70.28851 5.044396  51.05223       4.922247  40.08319       9.844495  62.02127       9.844495  62.48564 7.877405  78.09137 6.303190  -15.60573      10.08879  
1 1 1 12 5  22 o 50.50531 8.792943  28.63290       6.304098  34.47955       12.60820  22.78624       12.60820  55.88086 11.66243  45.12976 13.16249  10.75110       17.58589  
1 1 1 12 5  23 o 107.6709 5.147560  120.1019       7.833663  115.5608       15.66733  124.6429       15.66733  105.5621 7.420902  109.7797 7.135805  -4.217522      10.29512  
1 1 1 12 5  24 o 61.17816 9.197107  44.61471       7.728833  51.06176       15.45767  38.16767       15.45767  66.38786 12.08931  55.96847 13.86346  10.41939       18.39421  
1 1 1 12 6  0  o 102.8882 1.649671  105.9451       3.392681  105.9451       3.392681  105.9451       3.392681  102.8882 1.649671  102.8882 1.649671  0.000000       0.000000  
1 1 1 12 6  1  o 545.2063 2.865918  2975.177       22.08102  3107.048       44.16204  2843.305       44.16204  557.3000 3.962142  533.1125 4.141906  24.18750       5.731837  
1 1 1 12 6  2  o 673.3925 3.563029  4537.659       33.92681  4450.950       67.85362  4624.368       67.85362  666.9543 5.086827  679.8307 4.990480  -12.87634      7.126058  
1 1 1 12 6  3  o 660.3656 3.611917  4363.617       33.72668  4277.514       67.45336  4449.721       67.45336  653.8463 5.158198  666.8850 5.057346  -13.03876      7.223833  
1 1 1 12 6  4  o 412.6180 2.315876  1702.893       13.51355  1690.108       27.02709  1715.677       27.02709  411.0688 3.287417  414.1672 3.262824  -3.098389      4.631752  
1 1 1 12 6  5  o 431.0632 2.336940  1858.751       14.24259  1908.021       28.48518  1809.481       28.48518  436.7782 3.260829  425.3482 3.348454  11.42993       4.673880  
1 1 1 12 6  6  o 446.9305 2.371778  1998.604       14.98116  2081.925       29.96233  1915.283       29.96233  456.2519 3.283530  437.6090 3.423414  18.64288       4.743556  
1 1 1 12 6  7  o 156.2778 1.052167  244.2397       2.325321  241.9668       4.650642  246.5126       4.650642  155.5506 1.494897  157.0050 1.481049  -1.454391      2.104334  
1 1 1 12 6  8  o 455.6375 2.441412  2076.645       15.72927  2034.570       31.45854  2118.720       31.45854  451.0203 3.487487  460.2546 3.417516  -9.234283      4.882824  
1 1 1 12 6  9  o 132.7129 0.9647615 176.1335       1.810701  176.6386       3.621402  175.6284       3.621402  132.9032 1.362421  132.5226 1.366334  0.3805847      1.929523  
1 1 1 12 6  10 o 298.1573 1.705280  889.1160       7.190388  884.7655       14.38078  893.4665       14.38078  297.4277 2.417524  298.8868 2.405722  -1.459106      3.410561  
1 1 1 12 6  11 o 76.38102 1.305871  59.54823       1.367556  76.28768       2.735111  42.80878       2.735111  87.33888 1.565804  65.42316 2.090323  21.91573       2.611742  
1 1 1 12 6  12 o 172.6647 1.227849  298.8752       2.987656  269.9564       5.975312  327.7940       5.975312  164.2904 1.818522  181.0389 1.650284  -16.74855      2.455699  
1 1 1 12 6  13 f 358.1037 2.041733  1283.792       10.33052  1220.212       20.66105  1347.371       20.66105  349.2265 2.958116  366.9810 2.815003  -17.75446      4.083466  
1 1 1 12 6  14 o 245.1221 1.587511  601.3909       5.498813  629.0565       10.99763  573.7253       10.99763  250.7653 2.192812  239.4789 2.296157  11.28644       3.175022  
1 1 1 12 6  15 o 300.2103 1.804716  901.7289       7.662123  902.8249       15.32425  900.6330       15.32425  300.3928 2.550702  300.0277 2.553805  0.3650818      3.609432  
1 1 1 12 6  16 o 276.3946 1.756759  764.7828       6.861602  799.2338       13.72320  730.3318       13.72320  282.6268 2.427796  270.1624 2.539807  12.46439       3.513519  
1 1 1 12 6  17 o 234.2173 1.817443  549.1426       6.018198  564.5383       12.03640  533.7469       12.03640  237.5039 2.533937  230.9306 2.606063  6.573257       3.634887  
1 1 1 12 6  18 o 62.75388 3.799147  40.07843       3.306911  31.13452       6.613823  49.02234       6.613823  55.62769 5.944722  69.88006 4.732268  -14.25237      7.598294  
1 1 1 12 6  19 o 31.41683 7.001976  9.854024       3.554691  6.928313       7.109383  12.77974       7.109383  28.00286 10.00662  34.83080 9.796850  -6.827942      14.00395  
1 1 1 12 6  20 o 149.6979 2.300974  225.1178       4.865067  238.1834       9.730133  212.0521       9.730133  154.0619 3.157865  145.3339 3.347510  8.727997       4.601949  
1 1 1 12 6  21 o 130.6366 2.726393  171.8022       5.036607  174.1227       10.07321  169.4816       10.07321  131.5247 3.829399  129.7484 3.881826  1.776337       5.452785  
1 1 1 12 6  22 o 99.19426 4.273036  100.4224       5.980077  92.59351       11.96015  108.2513       11.96015  95.24802 6.278428  103.1405 5.797991  -7.892494      8.546072  
1 1 1 12 6  23 o 88.87570 6.388700  84.76463       7.795544  106.9266       15.59109  62.60260       15.59109  101.3437 7.692184  76.40771 10.20256  24.93597       12.77740  
1 1 1 12 6  24 o 38.51820 9.867937  16.13430       7.166563  9.282224       14.33313  22.98637       14.33313  33.58801 13.63044  43.44840 14.27290  -9.860386      19.73587  
1 1 1 12 7  0  o 180.9191 2.189386  327.4795       7.919433  327.4795       7.919433  327.4795       7.919433  180.9191 2.189386  180.9191 2.189386  0.000000       0.000000  
1 1 1 12 7  1  o 477.0876 2.564151  2277.123       17.29696  2224.541       34.59391  2329.705       34.59391  471.5769 3.667898  482.5983 3.584131  -11.02142      5.128301  
1 1 1 12 7  2  o 197.4816 1.220194  390.4395       3.402211  416.1753       6.804423  364.7037       6.804423  203.9976 1.667770  190.9656 1.781583  13.03198       2.440389  
1 1 1 12 7  3  f 521.4556 2.888197  2720.816       21.29003  2629.690       42.58006  2811.942       42.58006  512.7180 4.152386  530.1932 4.015522  -17.47522      5.776394  
1 1 1 12 7  4  o 937.6295 4.842233  8798.375       64.20840  8793.182       128.4168  8803.569       128.4168  937.3525 6.849973  937.9065 6.845928  -0.5539551     9.684465  
1 1 1 12 7  5  o 477.2204 2.644828  2277.781       17.84970  2273.354       35.69939  2282.207       35.69939  476.7566 3.743985  477.6842 3.736716  -0.9276123     5.289657  
1 1 1 12 7  6  o 872.0871 4.519574  7610.938       55.72194  7383.095       111.4439  7838.781       111.4439  859.0240 6.486657  885.1502 6.295196  -26.12622      9.039148  
1 1 1 12 7  7  o 857.8485 4.456092  7366.718       54.01606  7022.250       108.0321  7711.183       108.0321  837.7712 6.447591  877.9259 6.152690  -40.15472      8.912185  
1 1 1 12 7  8  o 195.0413 1.183682  380.4997       3.264026  390.9493       6.528053  370.0500       6.528053  197.7202 1.650831  192.3625 1.696810  5.357651       2.367363  
1 1 1 12 7  9  o 229.8447 1.349123  528.8295       4.379037  561.4887       8.758074  496.1701       8.758074  236.9494 1.848090  222.7401 1.965985  14.20929       2.698246  
1 1 1 12 7  10 o 186.4986 1.176253  347.8690       3.102016  341.9461       6.204032  353.7918       6.204032  184.9106 1.677576  188.0865 1.649250  -3.175842      2.352506  
1 1 1 12 7  11 o 98.44608 1.078259  96.93443       1.500976  95.03320       3.001951  98.83567       3.001951  97.48045 1.539771  99.41171 1.509858  -1.931252      2.156517  
1 1 1 12 7  12 f 118.1893 1.129797  139.7766       1.886941  133.4391       3.773881  146.1140       3.773881  115.5083 1.633598  120.8704 1.561127  -5.362122      2.259593  
1 1 1 12 7  13 o 212.2709 1.418581  451.6078       4.245616  411.0672       8.491233  492.1485       8.491233  202.7217 2.094308  221.8202 1.913990  -19.09854      2.837161  
1 1 1 12 7  14 o 378.7547 2.174356  1436.438       11.63613  1365.802       23.27227  1507.075       23.27227  369.4299 3.149755  388.0795 2.998389  -18.64963      4.348711  
1 1 1 12 7  15 o 334.8409 1.978700  1122.796       9.358463  1186.686       18.71693  1058.907       18.71693  344.3811 2.717473  325.3007 2.876866  19.08044       3.957401  
1 1 1 12 7  16 o 121.9999 1.723451  149.0874       2.968596  158.9986       5.937192  139.1762       5.937192  126.0619 2.354872  117.9380 2.517083  8.123940       3.446901  
1 1 1 12 7  17 o 243.6936 1.797682  594.4055       6.194502  606.3275       12.38900  582.4833       12.38900  246.1397 2.516661  241.2475 2.567696  4.892212       3.595364  
1 1 1 12 7  18 o 74.30813 3.384507  55.76006       3.526102  47.38318       7.052203  64.13692       7.052203  68.67155 5.134734  79.94471 4.410675  -11.27316      6.769014  
1 1 1 12 7  19 o 166.3280 1.889665  277.3470       4.440981  263.8763       8.881963  290.8176       8.881963  162.2785 2.736641  170.3774 2.606555  -8.098862      3.779330  
1 1 1 12 7  20 o 83.91375 3.894112  72.10400       4.526752  88.60997       9.053504  55.59805       9.053504  93.74883 4.828596  74.07867 6.110735  19.67015       7.788224  
1 1 1 12 7  21 o 108.3822 3.457161  118.7915       5.298682  120.2401       10.59736  117.3429       10.59736  109.0505 4.858927  107.7139 4.919217  1.336525       6.914323  
1 1 1 12 7  22 o 33.42487 8.448691  9.234573       5.474988  0.9530004      10.94998  17.51615       10.94998  26.82076 11.47272  40.02897 12.40558  -13.20821      16.89738  
1 1 1 12 7  23 o 70.84639 7.845015  56.17936       7.423873  40.96949       14.84775  71.38926       14.84775  59.61791 12.82032  82.07486 9.045246  -22.45695      15.69003  
1 1 1 12 7  24 o 60.79696 9.571060  45.30564       8.348284  60.62035       16.69657  29.99092       16.69657  73.20352 11.40421  48.39040 15.37416  24.81312       19.14212  
1 1 1 12 8  0  o 68.20213 1.587868  46.59219       2.163311  46.59219       2.163311  46.59219       2.163311  68.20213 1.587868  68.20213 1.587868  0.000000       0.000000  
1 1 1 12 8  1  o 520.6954 2.793516  2712.163       20.57051  2697.439       41.14103  2726.887       41.14103  519.2815 3.961341  522.1093 3.939887  -2.827759      5.587033  
1 1 1 12 8  2  o 517.3765 2.773318  2680.347       20.26079  2509.307       40.52158  2851.387       40.52158  500.8470 4.045305  533.9060 3.794823  -33.05902      5.546637  
1 1 1 12 8  3  o 49.84220 1.014675  24.85425       0.7147502 25.89302       1.429500  23.81548       1.429500  50.88427 1.404659  48.80014 1.464648  2.084126       2.029350  
1 1 1 12 8  4  o 255.0555 1.451456  650.8611       5.231973  678.2313       10.46395  623.4910       10.46395  260.4211 2.009043  249.6900 2.095387  10.73105       2.902913  
1 1 1 12 8  5  o 480.7343 2.633248  2315.143       17.85923  2500.616       35.71846  2129.670       35.71846  500.0249 3.571668  461.4437 3.870293  38.58115       5.266496  
1 1 1 12 8  6  o 589.0856 3.099268  3471.352       25.81678  3410.217       51.63356  3532.486       51.63356  583.8967 4.421464  594.2746 4.344251  -10.37793      6.198537  
1 1 1 12 8  7  o 494.0284 2.624154  2441.339       18.33096  2390.392       36.66193  2492.287       36.66193  488.8721 3.749644  499.1848 3.672180  -10.31265      5.248308  
1 1 1 12 8  8  o 526.7368 2.797745  2779.754       20.78970  2555.061       41.57941  3004.448       41.57941  505.4080 4.113450  548.0656 3.793288  -42.65765      5.595490  
1 1 1 12 8  9  o 336.3794 1.884348  1131.778       8.962970  1111.246       17.92594  1152.311       17.92594  333.3274 2.688939  339.4314 2.640584  -6.103973      3.768696  
1 1 1 12 8  10 o 207.1755 1.322664  429.3600       3.873947  442.3447       7.747893  416.3754       7.747893  210.3092 1.842024  204.0417 1.898605  6.267456       2.645327  
1 1 1 12 8  11 o 113.1066 1.164846  129.9321       1.820231  161.8195       3.640462  98.04468       3.640462  127.2028 1.430968  99.01046 1.838423  28.19233       2.329692  
1 1 1 12 8  12 o 34.74603 2.859859  12.10787       1.400911  11.00715       2.801821  13.20859       2.801821  33.16208 4.224435  36.32997 3.856074  -3.167885      5.719717  
1 1 1 12 8  13 o 111.3953 1.266588  124.2617       1.991771  132.8387       3.983541  115.6847       3.983541  115.2451 1.728290  107.5455 1.852025  7.699600       2.533177  
1 1 1 12 8  14 o 101.6206 1.523915  104.1487       2.163311  85.46507       4.326622  122.8322       4.326622  92.42780 2.340542  110.8134 1.952210  -18.38561      3.047829  
1 1 1 12 8  15 o 191.7512 1.521095  368.0107       4.121727  384.5643       8.243454  351.4570       8.243454  196.0676 2.102196  187.4348 2.199019  8.632874       3.042189  
1 1 1 12 8  16 o 297.0137 1.870888  882.8167       7.857488  899.1082       15.71498  866.5251       15.71498  299.7563 2.621292  294.2712 2.670152  5.485138       3.741776  
1 1 1 12 8  17 o 348.3773 2.121156  1215.109       10.44965  1233.087       20.89930  1197.130       20.89930  350.9576 2.977468  345.7970 3.021903  5.160583       4.242312  
1 1 1 12 8  18 o 99.96093 2.495003  100.4462       3.511806  89.69640       7.023612  111.1961       7.023612  94.58391 3.712900  105.3380 3.333847  -10.75404      4.990006  
1 1 1 12 8  19 o 151.5991 2.098710  230.6118       4.493397  244.4351       8.986794  216.7885       8.986794  156.1582 2.877464  147.0399 3.055902  9.118301       4.197420  
1 1 1 12 8  20 o 55.32330 5.908319  31.36801       4.622052  31.91599       9.244103  30.82003       9.244103  55.81855 8.280495  54.82805 8.430086  0.9905014      11.81664  
1 1 1 12 8  21 o 104.6444 3.244243  111.9537       4.712587  136.3267       9.425174  87.58073       9.425174  116.2901 4.052442  92.99883 5.067362  23.29123       6.488485  
1 1 1 12 8  22 o 46.58813 7.078733  23.58676       5.351098  2.725581       10.70220  44.44794       10.70220  27.66336 11.56363  65.51290 8.168005  -37.84954      14.15747  
1 1 1 12 8  23 o 29.56396 8.820189  2.577866       6.485168  -3.497512      12.97034  8.653244       12.97034  26.17453 11.78375  32.95338 13.12730  -6.778856      17.64038  
1 1 1 12 8  24 o 71.69786 7.697303  57.76612       7.800308  55.76005       15.60062  59.77219       15.60062  70.29889 11.09592  73.09684 10.67120  -2.797951      15.39461  
1 1 1 12 9  0  o 67.49372 1.576272  45.62966       2.125191  45.62966       2.125191  45.62966       2.125191  67.49372 1.576272  67.49372 1.576272  0.000000       0.000000  
1 1 1 12 9  1  o 144.2302 0.9841358 209.1121       1.991771  239.0983       3.983541  179.1259       3.983541  154.6255 1.288126  133.8350 1.488229  20.79048       1.968272  
1 1 1 12 9  2  o 165.3777 1.248463  277.3470       2.859001  342.1081       5.718002  212.5858       5.718002  184.9575 1.545761  145.7979 1.960934  39.15955       2.496926  
1 1 1 12 9  3  o 357.2435 1.996121  1276.568       10.08274  1306.135       20.16549  1247.001       20.16549  361.3817 2.790054  353.1053 2.855449  8.276398       3.992241  
1 1 1 12 9  4  o 144.8018 0.9332628 209.7077       1.910766  214.5108       3.821531  204.9046       3.821531  146.4603 1.304630  143.1433 1.334862  3.317032       1.866526  
1 1 1 12 9  5  o 818.5347 4.424213  6706.379       51.17612  7003.714       102.3522  6409.042       102.3522  836.6974 6.116443  800.3720 6.394042  36.32544       8.848426  
1 1 1 12 9  6  o 266.8932 1.555478  714.3405       5.846657  789.3893       11.69331  639.2917       11.69331  280.9529 2.081010  252.8335 2.312454  28.11942       3.110955  
1 1 1 12 9  7  o 253.3124 1.479522  642.6034       5.289153  594.7294       10.57831  690.4773       10.57831  243.8628 2.168905  262.7620 2.012907  -18.89917      2.959044  
1 1 1 12 9  8  o 520.2985 2.806659  2707.822       20.65152  2723.103       41.30303  2692.541       41.30303  521.7670 3.957997  518.8300 3.980402  2.937012       5.613318  
1 1 1 12 9  9  o 232.6654 1.413969  541.8951       4.645877  508.5305       9.291754  575.2596       9.291754  225.4953 2.060299  239.8354 1.937110  -14.34015      2.827937  
1 1 1 12 9  10 o 293.2148 1.690451  859.9447       7.009318  848.7326       14.01864  871.1567       14.01864  291.3029 2.406196  295.1267 2.375020  -3.823822      3.380903  
1 1 1 12 9  11 o 60.47914 1.557111  37.42433       1.286550  48.50772       2.573101  26.34093       2.573101  69.64213 1.847374  51.31615 2.507107  18.32598       3.114221  
1 1 1 12 9  12 o 439.1120 2.403573  1929.549       14.92399  1891.677       29.84797  1967.422       29.84797  434.7996 3.432383  443.4244 3.365622  -8.624786      4.807147  
1 1 1 12 9  13 o 87.70978 1.547833  77.45510       1.901236  89.87746       3.802472  65.03275       3.802472  94.79129 2.005707  80.62827 2.358027  14.16302       3.095666  
1 1 1 12 9  14 o 352.4368 2.032571  1242.960       10.13039  1255.111       20.26079  1230.809       20.26079  354.1606 2.860396  350.7130 2.888515  3.447632       4.065142  
1 1 1 12 9  15 o 152.2841 1.507815  232.1032       3.244966  242.1765       6.489933  222.0300       6.489933  155.5914 2.085569  148.9767 2.178170  6.614731       3.015630  
1 1 1 12 9  16 o 444.5944 2.487906  1979.301       15.63874  1927.634       31.27747  2030.968       31.27747  438.7838 3.564111  450.4049 3.472151  -11.62119      4.975813  
1 1 1 12 9  17 o 111.2994 1.992163  124.0139       3.135371  121.9840       6.270743  126.0438       6.270743  110.3875 2.840331  112.2113 2.794167  -1.823814      3.984325  
1 1 1 12 9  18 o 212.6887 1.802991  452.9897       5.422573  460.7185       10.84515  445.2608       10.84515  214.5057 2.527939  210.8718 2.571502  3.633865       3.605981  
1 1 1 12 9  19 o 45.40961 5.583448  21.75700       3.426036  15.74357       6.852073  27.77043       6.852073  38.45818 9.049166  52.36105 6.543101  -13.90287      11.16690  
1 1 1 12 9  20 o 88.76553 3.205257  79.40877       4.021661  82.28206       8.043323  76.53545       8.043323  90.38400 4.449528  87.14705 4.614800  3.236954       6.410513  
1 1 1 12 9  21 o 49.91710 7.562116  27.51788       5.379687  15.41002       10.75937  39.62576       10.75937  38.05190 12.36616  61.78229 8.707491  -23.73039      15.12423  
1 1 1 12 9  22 o 79.32671 5.278184  64.98985       5.899073  58.68576       11.79815  71.29395       11.79815  75.35320 7.828563  83.30020 7.081703  -7.946999      10.55637  
1 1 1 12 9  23 o 60.74986 7.156339  40.35004       6.022963  41.71283       12.04593  38.98725       12.04593  62.31578 9.665229  59.18393 10.55633  3.131844       14.31268  
1 1 1 12 9  24 o 33.01646 13.86141  7.538233       15.48626  7.538233       15.48626  ?              ?         33.01646 13.86141  ?        ?         ?              ?         
1 1 1 12 10 0  o 733.5691 7.675839  5385.958       112.5875  5385.958       112.5875  5385.958       112.5875  733.5691 7.675839  733.5691 7.675839  0.000000       0.000000  
1 1 1 12 10 1  o 716.7931 3.753453  5140.580       38.04854  5123.540       76.09708  5157.619       76.09708  715.6045 5.316979  717.9818 5.299374  -2.377258      7.506906  
1 1 1 12 10 2  o 412.7206 2.246958  1704.227       13.10852  1765.757       26.21704  1642.696       26.21704  420.1749 3.119777  405.2664 3.234544  14.90851       4.493917  
1 1 1 12 10 3  o 55.07774 0.9426488 30.34830       0.7338103 31.55384       1.467621  29.14275       1.467621  56.17214 1.306360  53.98333 1.359327  2.188808       1.885298  
1 1 1 12 10 4  f 881.8878 4.575474  7788.681       56.97989  7300.126       113.9598  8277.237       113.9598  854.1884 6.670648  909.5872 6.264369  -55.39886      9.150949  
1 1 1 12 10 5  o 239.8593 1.372582  576.1840       4.645877  619.9363       9.291754  532.4318       9.291754  248.9797 1.865966  230.7389 2.013478  18.24080       2.745163  
1 1 1 12 10 6  o 603.1681 3.188891  3639.299       27.19863  3578.183       54.39726  3700.415       54.39726  598.1019 4.547492  608.2344 4.471735  -10.13251      6.377781  
1 1 1 12 10 7  o 1173.688 6.054996  13791.68       100.4939  13571.11       200.9878  14012.25       200.9878  1164.291 8.631335  1183.084 8.494229  -18.79297      12.10999  
1 1 1 12 10 8  o 607.7874 3.215876  3695.402       27.64178  3693.382       55.28355  3697.422       55.28355  607.6212 4.549179  607.9536 4.546691  -0.3323975     6.431752  
1 1 1 12 10 9  o 253.3446 1.552191  642.3128       5.555993  610.1013       11.11199  674.5242       11.11199  246.9874 2.249505  259.7018 2.139374  -12.71446      3.104383  
1 1 1 12 10 10 o 328.8812 1.850331  1081.917       8.605594  1069.200       17.21119  1094.635       17.21119  326.9477 2.632101  330.8146 2.601334  -3.866974      3.700661  
1 1 1 12 10 11 o 37.57871 2.451149  14.14252       1.300845  13.28483       2.601691  15.00023       2.601691  36.43750 3.570073  38.71992 3.359629  -2.282413      4.902298  
1 1 1 12 10 12 o 190.1181 1.335227  364.5417       3.545162  430.6609       7.090323  298.4225       7.090323  207.5071 1.708453  172.7291 2.052440  34.77795       2.670454  
1 1 1 12 10 13 o 139.4209 1.300993  195.4747       2.544511  166.9371       5.089022  224.0123       5.089022  129.1865 1.969641  149.6552 1.700249  -20.46867      2.601986  
1 1 1 12 10 14 o 81.93514 1.898560  67.23895       2.196666  63.01239       4.393332  71.46550       4.393332  79.35593 2.768118  84.51435 2.599163  -5.158417      3.797121  
1 1 1 12 10 15 o 312.5661 1.899498  977.6497       8.395933  965.1321       16.79187  990.1674       16.79187  310.5637 2.703449  314.5685 2.669032  -4.004822      3.798996  
1 1 1 12 10 16 o 568.9087 3.160533  3243.365       25.42605  3193.266       50.85210  3293.464       50.85210  564.5056 4.504127  573.3118 4.434943  -8.806152      6.321066  
1 1 1 12 10 17 o 232.6718 1.768206  542.1524       5.813303  516.4023       11.62661  567.9025       11.62661  227.1382 2.559368  238.2053 2.440459  -11.06709      3.536411  
1 1 1 12 10 18 o 199.6956 1.939663  399.5502       5.474988  384.6691       10.94998  414.4313       10.94998  195.9697 2.793793  203.4216 2.691449  -7.451889      3.879327  
1 1 1 12 10 19 o 43.76464 6.100741  20.73252       3.683347  11.11199       7.366693  30.35306       7.366693  32.80988 10.17670  54.71940 6.731336  -21.90953      12.20148  
1 1 1 12 10 20 o 206.7033 2.040917  428.6119       5.965783  423.8374       11.93157  433.3865       11.93157  205.5483 2.902374  207.8582 2.870121  -2.309845      4.081834  
1 1 1 12 10 21 o 66.74898 5.961476  46.12999       5.627467  46.20145       11.25493  46.05851       11.25493  66.80252 8.424035  66.69543 8.437560  0.1070862      11.92295  
1 1 1 12 10 22 o 112.0840 3.921270  127.9308       6.208797  134.7352       12.41759  121.1264       12.41759  115.1194 5.393354  109.0486 5.693607  6.070824       7.842540  
1 1 1 12 10 23 o 75.86464 6.606535  61.56859       7.071262  66.14775       14.14252  56.98943       14.14252  78.88262 8.964285  72.84666 9.707051  6.035965       13.21307  
1 1 1 12 10 24 o 48.65505 14.30154  29.74314       14.82869  29.74314       14.82869  ?              ?         48.65505 14.30154  ?        ?         ?              ?         
1 1 1 12 11 0  o 1001.683 10.40131  10045.77       208.3259  10045.77       208.3259  10045.77       208.3259  1001.683 10.40131  1001.683 10.40131  0.000000       0.000000  
1 1 1 12 11 1  o 539.4668 2.874524  2911.159       21.92854  2867.902       43.85708  2954.416       43.85708  535.4576 4.095290  543.4760 4.034868  -8.018372      5.749048  
1 1 1 12 11 2  o 600.4316 3.170660  3606.282       26.92226  3642.796       53.84452  3569.768       53.84452  603.4722 4.461226  597.3909 4.506640  6.081299       6.341321  
1 1 1 12 11 3  o 401.0921 2.185309  1611.576       12.36518  1742.047       24.73036  1481.105       24.73036  417.3565 2.962738  384.8277 3.213173  32.52878       4.370617  
1 1 1 12 11 4  o 264.9066 1.576154  702.2516       5.899073  738.0034       11.79815  666.4999       11.79815  271.6546 2.171534  258.1586 2.285058  13.49600       3.152308  
1 1 1 12 11 5  o 438.1583 2.366789  1920.443       14.66191  1971.434       29.32383  1869.453       29.32383  443.9769 3.302404  432.3396 3.391295  11.63736       4.733577  
1 1 1 12 11 6  o 860.5009 4.698781  7408.925       57.18002  7359.583       114.3600  7458.267       114.3600  857.6339 6.667183  863.3679 6.622903  -5.734009      9.397563  
1 1 1 12 11 7  o 699.0440 3.663731  4888.773       36.21878  4851.925       72.43755  4925.620       72.43755  696.4084 5.200795  701.6796 5.161726  -5.271118      7.327461  
1 1 1 12 11 8  o 360.6547 2.042241  1300.936       10.41629  1302.809       20.83259  1299.063       20.83259  360.9143 2.886085  360.3951 2.890243  0.5192261      4.084482  
1 1 1 12 11 9  o 550.2350 2.930207  3029.021       22.80053  3059.388       45.60107  2998.654       45.60107  552.9944 4.123104  547.4755 4.164668  5.518982       5.860414  
1 1 1 12 11 10 o 125.9177 1.143701  159.9135       2.010831  130.6945       4.021661  189.1324       4.021661  114.3153 1.759021  137.5201 1.462208  -23.20483      2.287402  
1 1 1 12 11 11 o 289.3049 1.684080  837.2013       6.890193  834.2471       13.78039  840.1556       13.78039  288.7943 2.385848  289.8154 2.377442  -1.021149      3.368160  
1 1 1 12 11 12 o 83.01823 1.453659  69.47373       1.686811  81.64355       3.373621  57.30391       3.373621  90.34783 1.867019  75.68862 2.228619  14.65921       2.907318  
1 1 1 12 11 13 o 66.38736 1.808352  44.36694       1.682046  51.30954       3.364091  37.42433       3.364091  71.61623 2.348693  61.15850 2.750306  10.45773       3.616703  
1 1 1 12 11 14 o 160.5977 1.370672  258.0773       3.111546  248.7808       6.223093  267.3738       6.223093  157.7033 1.973038  163.4920 1.903180  -5.788712      2.741345  
1 1 1 12 11 15 o 138.8312 1.539670  193.3161       3.011481  212.7097       6.022963  173.9226       6.022963  145.8158 2.065265  131.8466 2.284080  13.96916       3.079340  
1 1 1 12 11 16 o 265.4626 1.783557  706.2829       6.680532  651.2233       13.36106  761.3425       13.36106  255.0922 2.618870  275.8332 2.421947  -20.74100      3.567115  
1 1 1 12 11 17 o 69.27553 3.057778  48.77456       2.935241  59.95325       5.870482  37.59586       5.870482  77.34381 3.795056  61.20725 4.795578  16.13656       6.115555  
1 1 1 12 11 18 o 49.04154 4.747310  24.30151       3.287851  22.82436       6.575703  25.77866       6.575703  47.53552 6.916621  50.54756 6.504471  -3.012039      9.494619  
1 1 1 12 11 19 o 110.3018 2.748288  122.6321       4.264677  137.0033       8.529353  108.2608       8.529353  116.8163 3.650754  103.7873 4.109055  13.02902       5.496575  
1 1 1 12 11 20 o 231.8696 2.068148  539.4363       6.780598  550.7675       13.56120  528.1052       13.56120  234.3130 2.893821  229.4261 2.955460  4.886856       4.136295  
1 1 1 12 11 21 o 118.7789 3.160838  142.9739       5.279623  160.2851       10.55925  125.6626       10.55925  126.0660 4.187982  111.4917 4.735440  14.57436       6.321676  
1 1 1 12 11 22 o 65.95197 6.765949  45.98227       6.294568  42.39899       12.58914  49.56555       12.58914  63.23539 9.954185  68.66856 9.166595  -5.433167      13.53190  
1 1 1 12 11 23 o 71.17297 7.763888  56.48433       7.461993  68.43496       14.92399  44.53371       14.92399  80.05087 9.321565  62.29508 12.41854  17.75579       15.52778  
1 1 1 12 11 24 o 60.03672 8.270868  42.30845       6.823483  53.40615       13.64697  31.21076       13.64697  69.65977 9.795442  50.41366 13.32961  19.24612       16.54174  
1 1 1 12 12 0  o 923.2035 13.69576  8533.956       252.7548  8533.956       252.7548  8533.956       252.7548  923.2035 13.69576  923.2035 13.69576  0.000000       0.000000  
1 1 1 12 12 1  o 174.1373 2.362442  303.4163       8.224394  303.4163       8.224394  303.4163       8.224394  174.1373 2.362442  174.1373 2.362442  0.000000       0.000000  
1 1 1 12 12 2  o 707.1794 7.413671  5004.300       104.8300  5004.300       104.8300  5004.300       104.8300  707.1794 7.413671  707.1794 7.413671  0.000000       0.000000  
1 1 1 12 12 3  o 407.0349 4.489542  1657.573       36.53804  1657.573       36.53804  1657.573       36.53804  407.0349 4.489542  407.0349 4.489542  0.000000       0.000000  
1 1 1 12 12 4  o 301.0160 3.329906  906.5034       20.04160  906.5034       20.04160  906.5034       20.04160  301.0160 3.329906  301.0160 3.329906  0.000000       0.000000  
1 1 1 12 12 5  o 683.4122 7.163087  4673.562       97.88267  4673.562       97.88267  4673.562       97.88267  683.4122 7.163087  683.4122 7.163087  0.000000       0.000000  
1 1 1 12 12 6  o 640.5928 6.786296  4106.335       86.92316  4106.335       86.92316  4106.335       86.92316  640.5928 6.786296  640.5928 6.786296  0.000000       0.000000  
1 1 1 12 12 7  o 461.6474 5.081739  2132.405       46.90668  2132.405       46.90668  2132.405       46.90668  461.6474 5.081739  461.6474 5.081739  0.000000       0.000000  
1 1 1 12 12 8  o 164.1827 2.825766  269.8230       9.272694  269.8230       9.272694  269.8230       9.272694  164.1827 2.825766  164.1827 2.825766  0.000000       0.000000  
1 1 1 12 12 9  o 553.9324 5.896544  3071.044       65.30911  3071.044       65.30911  3071.044       65.30911  553.9324 5.896544  553.9324 5.896544  0.000000       0.000000  
1 1 1 12 12 10 f 295.3910 3.469275  873.1295       20.48951  873.1295       20.48951  873.1295       20.48951  295.3910 3.469275  295.3910 3.469275  0.000000       0.000000  
1 1 1 12 12 11 o 138.4274 2.911561  191.9152       8.052853  191.9152       8.052853  191.9152       8.052853  138.4274 2.911561  138.4274 2.911561  0.000000       0.000000  
1 1 1 12 12 12 o 200.2099 2.711938  401.1464       10.85467  401.1464       10.85467  401.1464       10.85467  200.2099 2.711938  200.2099 2.711938  0.000000       0.000000  
1 1 1 12 12 13 o 16.28500 9.551498  3.211612       5.136672  3.211612       5.136672  3.211612       5.136672  16.28500 9.551498  16.28500 9.551498  -0.000000      0.000000  
1 1 1 12 12 14 o 121.3802 3.062429  147.6674       7.423873  147.6674       7.423873  147.6674       7.423873  121.3802 3.062429  121.3802 3.062429  0.000000       0.000000  
1 1 1 12 12 15 o 601.8728 6.488056  3631.427       78.07932  3631.427       78.07932  3631.427       78.07932  601.8728 6.488056  601.8728 6.488056  0.000000       0.000000  
1 1 1 12 12 16 o 321.9704 4.035766  1038.179       25.97879  1038.179       25.97879  1038.179       25.97879  321.9704 4.035766  321.9704 4.035766  0.000000       0.000000  
1 1 1 12 12 17 o 15.69174 10.49599  -2.315791      8.767603  -2.315791      8.767603  -2.315791      8.767603  15.69174 10.49599  15.69174 10.49599  0.000000       0.000000  
1 1 1 12 12 18 o 32.90720 14.55127  15.86746       10.00650  15.86746       10.00650  15.86746       10.00650  32.90720 14.55127  32.90720 14.55127  0.000000       0.000000  
1 1 1 12 12 19 o 87.82751 6.645613  78.96561       11.54083  78.96561       11.54083  78.96561       11.54083  87.82751 6.645613  87.82751 6.645613  0.000000       0.000000  
1 1 1 12 12 20 o 42.34751 15.86879  24.90190       12.49383  24.90190       12.49383  24.90190       12.49383  42.34751 15.86879  42.34751 15.86879  0.000000       0.000000  
1 1 1 12 12 21 o 61.44582 12.78465  43.43776       13.85663  43.43776       13.85663  43.43776       13.85663  61.44582 12.78465  61.44582 12.78465  0.000000       0.000000  
1 1 1 12 12 22 o 39.16075 19.91141  25.62618       19.33638  25.62618       19.33638  25.62618       19.33638  39.16075 19.91141  39.16075 19.91141  0.000000       0.000000  
1 1 1 12 12 23 o 134.0584 8.967768  187.9984       23.82501  187.9984       23.82501  187.9984       23.82501  134.0584 8.967768  134.0584 8.967768  0.000000       0.000000  
1 1 1 13 0  1  o 514.5677 5.375940  2649.675       55.31214  2649.675       55.31214  2649.675       55.31214  514.5677 5.375940  514.5677 5.375940  0.000000       0.000000  
1 1 1 13 0  2  o 104.6682 2.155361  109.6999       4.507692  109.6999       4.507692  109.6999       4.507692  104.6682 2.155361  104.6682 2.155361  0.000000       0.000000  
1 1 1 13 0  3  f 568.7580 6.962704  3238.028       79.17527  3238.028       79.17527  3238.028       79.17527  568.7580 6.962704  568.7580 6.962704  0.000000       0.000000  
1 1 1 13 0  4  o 439.3858 4.953097  1931.789       43.51400  1931.789       43.51400  1931.789       43.51400  439.3858 4.953097  439.3858 4.953097  0.000000       0.000000  
1 1 1 13 0  5  o 85.05476 1.468775  72.40897       2.496861  72.40897       2.496861  72.40897       2.496861  85.05476 1.468775  85.05476 1.468775  0.000000       0.000000  
1 1 1 13 0  6  o 134.7852 1.662137  181.7562       4.479102  181.7562       4.479102  181.7562       4.479102  134.7852 1.662137  134.7852 1.662137  0.000000       0.000000  
1 1 1 13 0  7  f 156.5879 2.393065  245.3785       7.490582  245.3785       7.490582  245.3785       7.490582  156.5879 2.393065  156.5879 2.393065  0.000000       0.000000  
1 1 1 13 0  8  o 49.00351 2.266309  24.16809       2.210961  24.16809       2.210961  24.16809       2.210961  49.00351 2.266309  49.00351 2.266309  0.000000       0.000000  
1 1 1 13 0  9  o 53.14221 2.732157  28.46612       2.887591  28.46612       2.887591  28.46612       2.887591  53.14221 2.732157  53.14221 2.732157  0.000000       0.000000  
1 1 1 13 0  10 o 398.1484 4.325149  1586.145       34.43190  1586.145       34.43190  1586.145       34.43190  398.1484 4.325149  398.1484 4.325149  0.000000       0.000000  
1 1 1 13 0  11 o 124.4655 2.310285  155.0913       5.746593  155.0913       5.746593  155.0913       5.746593  124.4655 2.310285  124.4655 2.310285  0.000000       0.000000  
1 1 1 13 0  12 o 253.1741 3.034931  641.3884       15.36237  641.3884       15.36237  641.3884       15.36237  253.1741 3.034931  253.1741 3.034931  0.000000       0.000000  
1 1 1 13 0  13 o 403.7202 4.501637  1631.460       36.33790  1631.460       36.33790  1631.460       36.33790  403.7202 4.501637  403.7202 4.501637  0.000000       0.000000  
1 1 1 13 0  14 o 199.7252 2.754363  399.2404       10.99763  399.2404       10.99763  399.2404       10.99763  199.7252 2.754363  199.7252 2.754363  -0.000000      0.000000  
1 1 1 13 0  15 o 79.80186 3.931349  64.18457       6.242152  64.18457       6.242152  64.18457       6.242152  79.80186 3.931349  79.80186 3.931349  -0.000000      0.000000  
1 1 1 13 0  16 o 74.59823 4.479245  56.30326       6.632883  56.30326       6.632883  56.30326       6.632883  74.59823 4.479245  74.59823 4.479245  0.000000       0.000000  
1 1 1 13 0  17 o 281.8604 3.918711  795.6885       22.08102  795.6885       22.08102  795.6885       22.08102  281.8604 3.918711  281.8604 3.918711  0.000000       0.000000  
1 1 1 13 0  18 o 39.34798 12.21422  19.49839       8.395933  19.49839       8.395933  19.49839       8.395933  39.34798 12.21422  39.34798 12.21422  0.000000       0.000000  
1 1 1 13 0  19 f 165.8106 4.331559  276.1128       14.34266  276.1128       14.34266  276.1128       14.34266  165.8106 4.331559  165.8106 4.331559  0.000000       0.000000  
1 1 1 13 0  20 o 177.1929 4.308310  315.5479       15.24801  315.5479       15.24801  315.5479       15.24801  177.1929 4.308310  177.1929 4.308310  0.000000       0.000000  
1 1 1 13 0  21 o 47.80145 20.52073  34.69875       19.95583  34.69875       19.95583  34.69875       19.95583  47.80145 20.52073  47.80145 20.52073  0.000000       0.000000  
1 1 1 13 0  22 o 132.5985 6.173641  178.6876       16.29631  178.6876       16.29631  178.6876       16.29631  132.5985 6.173641  132.5985 6.173641  0.000000       0.000000  
1 1 1 13 0  23 o 30.18245 18.81457  10.79749       22.40504  10.79749       22.40504  10.79749       22.40504  30.18245 18.81457  30.18245 18.81457  0.000000       0.000000  
1 1 1 13 0  24 f 26.14091 17.25021  2.763701       22.28115  2.763701       22.28115  2.763701       22.28115  26.14091 17.25021  26.14091 17.25021  0.000000       0.000000  
1 1 1 13 1  0  o 502.1107 5.274868  2522.926       52.95824  2522.926       52.95824  2522.926       52.95824  502.1107 5.274868  502.1107 5.274868  0.000000       0.000000  
1 1 1 13 1  1  o 128.7713 0.7922522 166.1127       1.439031  179.9074       2.878061  152.3181       2.878061  134.1275 1.072882  123.4150 1.166010  10.71255       1.584504  
1 1 1 13 1  2  o 260.9111 1.562394  687.9424       5.675117  548.7281       11.35023  827.1566       11.35023  234.2326 2.422855  287.5896 1.973339  -53.35699      3.124787  
1 1 1 13 1  3  o 265.8595 1.651727  713.5447       6.123027  850.6672       12.24605  576.4223       12.24605  291.6480 2.099458  240.0709 2.550508  51.57704       3.303455  
1 1 1 13 1  4  o 319.2230 1.834514  1019.191       8.281574  1008.694       16.56315  1029.688       16.56315  317.5787 2.607723  320.8672 2.580998  -3.288422      3.669028  
1 1 1 13 1  5  o 918.1268 4.750678  8438.237       61.64960  8763.887       123.2992  8112.587       123.2992  935.8613 6.587471  900.3924 6.846970  35.46893       9.501356  
1 1 1 13 1  6  o 624.1545 3.260975  3899.983       28.74726  3671.929       57.49451  4128.035       57.49451  605.8856 4.744668  642.4235 4.474814  -36.53796      6.521950  
1 1 1 13 1  7  o 208.7121 1.202728  435.6307       3.549927  432.0808       7.099854  439.1807       7.099854  207.8617 1.707831  209.5625 1.693970  -1.700867      2.405457  
1 1 1 13 1  8  o 632.6678 3.307298  4004.022       29.59066  3973.554       59.18132  4034.489       59.18132  630.2599 4.694993  635.0757 4.659391  -4.815735      6.614597  
1 1 1 13 1  9  o 569.7286 3.017413  3247.015       24.31104  3277.406       48.62209  3216.624       48.62209  572.3958 4.247243  567.0615 4.287196  5.334290       6.034826  
1 1 1 13 1  10 o 323.5411 1.794404  1046.980       8.210099  1057.459       16.42020  1036.502       16.42020  325.1604 2.524938  321.9218 2.550339  3.238617       3.588808  
1 1 1 13 1  11 o 66.35654 1.547014  47.63572       1.281785  22.46222       2.563571  72.80923       2.563571  47.38818 2.704864  85.32491 1.502241  -37.93674      3.094029  
1 1 1 13 1  12 o 263.1275 1.590253  693.2316       5.908603  649.0695       11.81721  737.3936       11.81721  254.7357 2.319503  271.5193 2.176126  -16.78354      3.180506  
1 1 1 13 1  13 o 123.0089 1.220780  151.9464       2.110896  171.1398       4.221792  132.7529       4.221792  130.8106 1.613704  115.2073 1.832259  15.60328       2.441560  
1 1 1 13 1  14 o 157.7670 1.268971  249.0142       2.830411  241.8905       5.660822  256.1379       5.660822  155.5093 1.820091  160.0246 1.768735  -4.515335      2.537943  
1 1 1 13 1  15 o 111.7318 1.583151  125.2052       2.492096  112.6446       4.984192  137.7657       4.984192  106.1110 2.348576  117.3527 2.123596  -11.24170      3.166302  
1 1 1 13 1  16 o 170.2598 1.589474  290.0742       3.826297  297.3266       7.652593  282.8219       7.652593  172.3896 2.219563  168.1300 2.275796  4.259583       3.178948  
1 1 1 13 1  17 o 78.54411 2.745608  61.94026       3.040071  56.25561       6.080142  67.62491       6.080142  74.92535 4.057467  82.16286 3.700055  -7.237518      5.491215  
1 1 1 13 1  18 o 136.2879 1.824083  186.4259       3.502276  167.6423       7.004553  205.2096       7.004553  129.3967 2.706620  143.1790 2.446082  -13.78232      3.648165  
1 1 1 13 1  19 o 25.39568 7.087976  3.816766       3.759587  4.431452       7.519173  3.202081       7.519173  25.93967 10.08762  24.85169 9.959797  1.087984       14.17595  
1 1 1 13 1  20 o 85.33052 3.963817  73.79559       4.765002  66.42413       9.530005  81.16705       9.530005  81.01116 5.881908  89.64988 5.315124  -8.638718      7.927635  
1 1 1 13 1  21 o 56.49511 5.954150  33.91728       4.493397  43.04703       8.986794  24.78754       8.986794  64.94473 6.918803  48.04549 9.692150  16.89923       11.90830  
1 1 1 13 1  22 o 155.7102 3.171560  245.0641       6.980727  236.4775       13.96145  253.6506       13.96145  152.9530 4.563970  158.4674 4.405150  -5.514435      6.343120  
1 1 1 13 1  23 o 59.31575 8.853446  40.19279       7.209448  34.00305       14.41890  46.38253       14.41890  54.14943 13.37526  64.48208 11.60329  -10.33265      17.70689  
1 1 1 13 1  24 o 94.03055 6.728333  95.94332       8.943909  93.13673       17.88782  98.74989       17.88782  92.53817 9.665102  95.52293 9.363102  -2.984756      13.45667  
1 1 1 13 2  0  o 507.4329 5.321919  2576.694       53.99699  2576.694       53.99699  2576.694       53.99699  507.4329 5.321919  507.4329 5.321919  0.000000       0.000000  
1 1 1 13 2  1  o 242.2964 1.368708  588.4301       4.674467  533.2228       9.348933  643.6374       9.348933  230.9039 2.024421  253.6890 1.842598  -22.78505      2.737416  
1 1 1 13 2  2  o 296.3829 1.763829  878.7617       7.390518  852.1348       14.78104  905.3885       14.78104  291.8909 2.531945  300.8748 2.456343  -8.983948      3.527658  
1 1 1 13 2  3  o 196.7490 1.269138  387.1612       3.530867  380.0375       7.061733  394.2849       7.061733  194.9386 1.811271  198.5593 1.778242  -3.620697      2.538276  
1 1 1 13 2  4  o 526.5034 2.909671  2785.853       21.51398  3164.390       43.02797  2407.317       43.02797  562.4515 3.825038  490.5552 4.385640  71.89633       5.819343  
1 1 1 13 2  5  o 274.1708 1.550336  756.7442       5.951487  634.1550       11.90297  879.3335       11.90297  251.8144 2.363442  296.5271 2.007063  -44.71272      3.100671  
1 1 1 13 2  6  o 323.6603 1.775981  1047.638       8.129093  1045.604       16.25819  1049.673       16.25819  323.3460 2.514054  323.9747 2.509176  -0.6286621     3.551961  
1 1 1 13 2  7  o 533.1449 2.837464  2845.469       21.36627  2678.513       42.73254  3012.425       42.73254  517.4872 4.128850  548.8026 3.893252  -31.31531      5.674928  
1 1 1 13 2  8  o 413.8251 2.240253  1716.287       13.07040  1560.967       26.14080  1871.607       26.14080  395.0587 3.308470  432.5915 3.021419  -37.53275      4.480507  
1 1 1 13 2  9  f 431.5667 2.335061  1864.884       14.22830  1742.066       28.45659  1987.701       28.45659  417.3374 3.409303  445.7960 3.191661  -28.45859      4.670123  
1 1 1 13 2  10 o 360.9304 1.993128  1302.990       10.17328  1314.416       20.34656  1291.563       20.34656  362.5133 2.806319  359.3474 2.831043  3.165833       3.986255  
1 1 1 13 2  11 o 400.6782 2.170626  1606.082       12.29847  1632.642       24.59694  1579.522       24.59694  403.9926 3.044232  397.3638 3.095015  6.628815       4.341252  
1 1 1 13 2  12 o 388.4083 2.151714  1509.448       11.81721  1477.456       23.63441  1541.440       23.63441  384.2899 3.075076  392.5267 3.010548  -8.236786      4.303428  
1 1 1 13 2  13 o 239.9637 1.482232  576.2031       5.027077  553.1405       10.05415  599.2657       10.05415  235.1583 2.137742  244.7692 2.053803  -9.610870      2.964464  
1 1 1 13 2  14 o 201.3701 1.390642  405.9782       3.954952  381.6957       7.909904  430.2606       7.909904  195.3408 2.024642  207.3994 1.906925  -12.05861      2.781283  
1 1 1 13 2  15 o 170.7981 1.378937  291.8087       3.330736  292.8475       6.661473  290.7700       6.661473  171.1022 1.946636  170.4940 1.953580  0.6082001      2.757874  
1 1 1 13 2  16 o 138.5786 1.559424  193.0064       3.035306  167.0705       6.070612  218.9423       6.070612  129.2207 2.348931  147.9364 2.051764  -18.71567      3.118848  
1 1 1 13 2  17 o 139.3599 1.617611  194.5455       3.183021  181.9278       6.366043  207.1632       6.366043  134.8329 2.360716  143.8869 2.212168  -9.054047      3.235223  
1 1 1 13 2  18 o 63.97722 3.708838  41.13149       3.354562  42.34181       6.709123  39.92118       6.709123  64.92311 5.166976  63.03133 5.322054  1.891781       7.417675  
1 1 1 13 2  19 o 70.38933 3.841943  49.97058       3.816766  53.60627       7.633533  46.33488       7.633533  72.97189 5.230462  67.80676 5.628888  5.165123       7.683886  
1 1 1 13 2  20 o 133.7477 2.808180  179.9503       5.308212  187.3408       10.61642  172.5598       10.61642  136.5106 3.888499  130.9848 4.052539  5.525726       5.616360  
1 1 1 13 2  21 o 64.79913 5.565532  43.73795       4.979427  54.34008       9.958854  33.13582       9.958854  72.97990 6.823012  56.61837 8.794720  16.36153       11.13106  
1 1 1 13 2  22 o 100.2809 4.140103  102.4714       5.860952  95.52876       11.72190  109.4140       11.72190  96.81937 6.053492  103.7425 5.649518  -6.923164      8.280206  
1 1 1 13 2  23 o 47.06628 9.617734  25.65001       6.880662  20.01301       13.76132  31.28700       13.76132  42.15538 13.98529  51.97719 13.20662  -9.821815      19.23547  
1 1 1 13 2  24 o 45.56977 14.94963  25.69289       15.72451  25.69289       15.72451  ?              ?         45.56977 14.94963  ?        ?         ?              ?         
1 1 1 13 3  0  o 325.8925 3.504195  1062.595       22.83389  1062.595       22.83389  1062.595       22.83389  325.8925 3.504195  325.8925 3.504195  0.000000       0.000000  
1 1 1 13 3  1  o 50.83844 0.7756034 25.85013       0.5575052 26.48388       1.115010  25.21639       1.115010  51.46173 1.083339  50.21515 1.110233  1.246586       1.551207  
1 1 1 13 3  2  o 323.4900 1.752958  1047.853       8.005203  975.6724       16.01041  1120.033       16.01041  312.3335 2.563031  334.6465 2.392138  -22.31299      3.505916  
1 1 1 13 3  3  o 181.5073 1.140339  331.3678       2.901886  281.3162       5.803772  381.4193       5.803772  167.7196 1.730201  195.2951 1.485898  -27.57552      2.280678  
1 1 1 13 3  4  o 907.2904 4.742152  8240.494       60.82525  7988.297       121.6505  8492.691       121.6505  893.3920 6.808350  921.1888 6.602909  -27.79675      9.484304  
1 1 1 13 3  5  o 414.6308 2.220446  1719.608       13.01799  1755.999       26.03597  1683.218       26.03597  419.0190 3.106777  410.2425 3.173242  8.776550       4.440893  
1 1 1 13 3  6  o 993.2264 5.112267  9871.082       71.80858  9888.427       143.6172  9853.738       143.6172  994.0996 7.223480  992.3533 7.236191  1.746277       10.22453  
1 1 1 13 3  7  o 117.8736 0.8883880 140.3817       1.458091  168.6429       2.916181  112.1205       2.916181  129.8616 1.122804  105.8857 1.377042  23.97585       1.776776  
1 1 1 13 3  8  o 98.46601 0.8760014 96.95827       1.219841  97.37758       2.439681  96.53894       2.439681  98.67894 1.236171  98.25308 1.241529  0.4258575      1.752003  
1 1 1 13 3  9  o 577.7629 3.066590  3340.285       25.04485  3457.810       50.08970  3222.761       50.08970  587.9335 4.259810  567.5923 4.412472  20.34119       6.133180  
1 1 1 13 3  10 o 216.3553 1.303828  468.2187       3.988307  455.8201       7.976613  480.6172       7.976613  213.4900 1.868147  219.2206 1.819312  -5.730621      2.607656  
1 1 1 13 3  11 o 146.4695 1.114430  215.2780       2.296731  190.3237       4.593462  240.2323       4.593462  137.9509 1.664891  154.9881 1.481876  -17.03720      2.228860  
1 1 1 13 3  12 o 84.97955 1.349497  72.84734       1.601040  59.46722       3.202081  86.22747       3.202081  77.10699 2.076388  92.85210 1.724291  -15.74511      2.698994  
1 1 1 13 3  13 o 326.4601 1.879686  1066.293       8.677070  1086.287       17.35414  1046.299       17.35414  329.5223 2.633226  323.3979 2.683094  6.124451       3.759372  
1 1 1 13 3  14 o 84.06749 1.615587  70.94611       1.910766  79.28011       3.821531  62.61212       3.821531  89.02422 2.146344  79.11077 2.415304  9.913445       3.231174  
1 1 1 13 3  15 o 85.62234 1.946423  73.71458       2.339616  63.45076       4.679232  83.97840       4.679232  79.62868 2.938157  91.61600 2.553720  -11.98731      3.892846  
1 1 1 13 3  16 f 221.7207 1.668616  493.3683       5.208147  438.9805       10.41630  547.7560       10.41630  209.4558 2.486514  233.9856 2.225841  -24.52986      3.337232  
1 1 1 13 3  17 o 334.2994 2.139934  1119.270       10.11133  1162.394       20.22267  1076.147       20.22267  340.7492 2.967383  327.8496 3.084138  12.89960       4.279868  
1 1 1 13 3  18 o 212.7897 1.844748  453.5949       5.546463  475.6520       11.09293  431.5377       11.09293  217.9726 2.544569  207.6068 2.671618  10.36574       3.689496  
1 1 1 13 3  19 o 82.68074 3.338483  68.92099       3.888242  75.93507       7.776483  61.90691       7.776483  86.92241 4.473233  78.43907 4.957021  8.483337       6.676966  
1 1 1 13 3  20 o 59.38199 5.550344  36.34743       4.593462  29.39053       9.186924  43.30434       9.186924  53.52424 8.582022  65.23975 7.040895  -11.71551      11.10069  
1 1 1 13 3  21 o 62.55114 5.022189  40.11655       4.421922  35.74704       8.843843  44.48606       8.843843  59.05839 7.487373  66.04388 6.695429  -6.985497      10.04438  
1 1 1 13 3  22 o 97.93576 4.579656  98.06850       6.337452  93.47028       12.67490  102.6667       12.67490  95.58818 6.629954  100.2833 6.319547  -4.695152      9.159311  
1 1 1 13 3  23 o 41.36649 9.814004  18.65022       7.009318  11.76956       14.01864  25.53088       14.01864  35.92312 13.81424  46.80986 13.94365  -10.88674      19.62801  
1 1 1 13 3  24 o 64.78425 8.838207  52.16248       9.458529  101.0752       18.91706  3.249731       18.91706  96.16254 9.835981  33.40596 14.68704  62.75658       17.67641  
1 1 1 13 4  0  o 146.2679 2.063057  214.0820       6.032492  214.0820       6.032492  214.0820       6.032492  146.2679 2.063057  146.2679 2.063057  0.000000       0.000000  
1 1 1 13 4  1  o 320.5554 1.748339  1027.849       7.924198  1051.788       15.84840  1003.910       15.84840  324.2894 2.443558  316.8213 2.501157  7.468079       3.496679  
1 1 1 13 4  2  o 365.2538 2.057773  1341.038       10.54971  1529.899       21.09943  1152.177       21.09943  391.1071 2.697397  339.4004 3.108339  51.70676       4.115546  
1 1 1 13 4  3  o 303.3071 1.747260  921.1846       7.481052  857.0237       14.96210  985.3453       14.96210  292.7302 2.555614  313.8839 2.383382  -21.15372      3.494520  
1 1 1 13 4  4  o 319.5710 1.804599  1022.803       8.138623  946.3865       16.27725  1099.219       16.27725  307.6149 2.645718  331.5271 2.454889  -23.91217      3.609197  
1 1 1 13 4  5  o 748.0173 3.894339  5599.468       41.17438  5387.664       82.34876  5811.272       82.34876  733.8597 5.610662  762.1750 5.402221  -28.31537      7.788679  
1 1 1 13 4  6  o 328.3919 1.821885  1085.277       8.381639  914.2704       16.76328  1256.283       16.76328  302.3550 2.772118  354.4289 2.364829  -52.07391      3.643770  
1 1 1 13 4  7  o 403.5153 2.173329  1628.763       12.39854  1582.743       24.79707  1674.784       24.79707  397.8129 3.116676  409.2177 3.029814  -11.40485      4.346659  
1 1 1 13 4  8  o 361.2134 1.975709  1304.934       10.09227  1316.456       20.18455  1293.412       20.18455  362.8083 2.781710  359.6185 2.806383  3.189758       3.951418  
1 1 1 13 4  9  o 99.66086 1.258076  99.35029       1.772581  102.2665       3.545162  96.43411       3.545162  101.1239 1.752880  98.19780 1.805113  2.926109       2.516152  
1 1 1 13 4  10 o 465.1989 2.496963  2165.017       16.42496  2122.999       32.84993  2207.035       32.84993  460.6829 3.565351  469.7150 3.496793  -9.032166      4.993926  
1 1 1 13 4  11 o 164.6113 1.172996  271.0190       2.730346  266.1158       5.460692  275.9222       5.460692  163.1220 1.673807  166.1006 1.643790  -2.978653      2.345991  
1 1 1 13 4  12 o 116.0766 1.155325  134.7590       1.896471  136.1742       3.792941  133.3438       3.792941  116.6862 1.625274  115.4670 1.642435  1.219208       2.310651  
1 1 1 13 4  13 o 83.23784 1.519028  69.58333       1.777346  78.38428       3.554691  60.78236       3.554691  88.52447 2.007745  77.95120 2.280075  10.57327       3.038056  
1 1 1 13 4  14 o 218.4840 1.467185  477.6343       4.531517  493.3206       9.063033  461.9478       9.063033  222.0739 2.040545  214.8942 2.108720  7.179672       2.934370  
1 1 1 13 4  15 o 56.38681 2.661551  32.96428       2.010831  20.93742       4.021661  44.99115       4.021661  45.72221 4.397931  67.05142 2.998939  -21.32922      5.323103  
1 1 1 13 4  16 o 289.7665 1.928819  840.5082       7.900373  870.4420       15.80075  810.5745       15.80075  294.9316 2.678713  284.6013 2.775944  10.33029       3.857638  
1 1 1 13 4  17 o 135.3591 1.754038  183.4764       3.354562  192.6204       6.709123  174.3324       6.709123  138.7368 2.417933  131.9814 2.541693  6.755402       3.508076  
1 1 1 13 4  18 o 61.21916 3.874706  37.67687       3.354562  37.89130       6.709123  37.46244       6.709123  61.39429 5.463964  61.04403 5.495314  0.3502541      7.749412  
1 1 1 13 4  19 o 135.0868 2.085298  182.9046       3.983541  185.2347       7.967083  180.5745       7.967083  135.9492 2.930169  134.2243 2.967824  1.724884       4.170596  
1 1 1 13 4  20 o 34.39320 7.849443  11.39789       4.626817  4.965132       9.253633  17.83064       9.253633  28.11503 11.12319  40.67136 11.07834  -12.55634      15.69889  
1 1 1 13 4  21 o 166.7231 2.636663  279.9629       6.208797  296.2306       12.41759  263.6952       12.41759  171.6018 3.618144  161.8444 3.836276  9.757339       5.273326  
1 1 1 13 4  22 o 35.31488 8.818870  11.78861       5.675117  6.251682       11.35023  17.32555       11.35023  30.70643 12.26505  39.92333 12.67511  -9.216902      17.63774  
1 1 1 13 4  23 o 45.52402 9.952314  23.92031       7.252333  30.64849       14.50467  17.19213       14.50467  51.05750 13.85317  39.99055 14.29279  11.06695       19.90463  
1 1 1 13 4  24 o 52.46258 10.19878  34.44143       7.948023  27.04615       15.89605  41.83672       15.89605  46.41714 15.02682  58.50801 13.79330  -12.09088      20.39756  
1 1 1 13 5  0  o 727.3386 7.554805  5295.490       109.8714  5295.490       109.8714  5295.490       109.8714  727.3386 7.554805  727.3386 7.554805  0.000000       0.000000  
1 1 1 13 5  1  o 422.5582 2.279091  1786.085       13.61837  1813.274       27.23675  1758.896       27.23675  425.7754 3.198488  419.3409 3.247566  6.434418       4.558181  
1 1 1 13 5  2  o 639.3859 3.387056  4090.345       30.62467  4035.756       61.24934  4144.932       61.24934  635.1171 4.821893  643.6547 4.757935  -8.537537      6.774112  
1 1 1 13 5  3  o 689.5120 3.709083  4758.221       36.15207  4595.739       72.30415  4920.703       72.30415  677.7296 5.334291  701.2944 5.155049  -23.56482      7.418167  
1 1 1 13 5  4  o 236.4909 1.398620  560.3309       4.664937  607.9952       9.329873  512.6666       9.329873  246.5683 1.891945  226.4135 2.060362  20.15482       2.797240  
1 1 1 13 5  5  o 621.8727 3.440400  3870.320       30.23394  4044.600       60.46787  3696.040       60.46787  635.8852 4.754622  607.8602 4.973831  28.02496       6.880801  
1 1 1 13 5  6  o 386.2129 2.079389  1494.896       11.32164  1631.575       22.64329  1358.216       22.64329  403.9077 2.803028  368.5181 3.072209  35.38965       4.158778  
1 1 1 13 5  7  o 81.72652 0.9095735 66.91969       1.048300  72.72346       2.096601  61.11591       2.096601  85.27724 1.229285  78.17580 1.340953  7.101448       1.819147  
1 1 1 13 5  8  o 908.7955 4.715551  8266.568       60.58700  8503.585       121.1740  8029.552       121.1740  921.8356 6.572430  895.7553 6.763789  26.08032       9.431102  
1 1 1 13 5  9  o 507.8799 2.722935  2582.040       19.53651  2444.008       39.07301  2720.073       39.07301  494.2908 3.952432  521.4690 3.746437  -27.17816      5.445870  
1 1 1 13 5  10 o 614.7935 3.264195  3781.963       28.38035  3796.992       56.76070  3766.934       56.76070  616.0157 4.607083  613.5712 4.625437  2.444519       6.528390  
1 1 1 13 5  11 o 157.5453 1.165861  249.7957       2.573101  289.2070       5.146202  210.3844       5.146202  170.0532 1.513115  145.0374 1.774095  25.01585       2.331723  
1 1 1 13 5  12 o 110.7155 1.202190  122.6035       1.882176  120.7737       3.764351  124.4333       3.764351  109.8892 1.712795  111.5418 1.687417  -1.652664      2.404380  
1 1 1 13 5  13 o 170.4992 1.253927  290.9129       3.021011  277.3040       6.042023  304.5218       6.042023  166.5083 1.814331  174.4901 1.731337  -7.981781      2.507853  
1 1 1 13 5  14 o 245.9530 1.568240  605.7747       5.446397  566.9685       10.89279  644.5809       10.89279  238.0641 2.287786  253.8420 2.145586  -15.77789      3.136480  
1 1 1 13 5  15 o 146.9260 1.398206  216.1072       2.901886  228.1197       5.803772  204.0946       5.803772  151.0139 1.921601  142.8380 2.031592  8.175919       2.796412  
1 1 1 13 5  16 o 120.6240 1.736277  145.6756       2.959066  138.3471       5.918132  153.0042       5.918132  117.5862 2.516507  123.6618 2.392870  -6.075546      3.472555  
1 1 1 13 5  17 o 165.6782 1.635783  274.7548       3.831062  265.4583       7.662123  284.0513       7.662123  162.8726 2.352183  168.4838 2.273846  -5.611191      3.271565  
1 1 1 13 5  18 o 115.1318 2.108771  133.0817       3.421271  120.1448       6.842543  146.0187       6.842543  109.5134 3.124066  120.7501 2.833349  -11.23666      4.217542  
1 1 1 13 5  19 o 137.9826 2.391196  191.0146       4.664937  186.0924       9.329873  195.9369       9.329873  136.1990 3.425090  139.7663 3.337670  -3.567307      4.782393  
1 1 1 13 5  20 f 38.24286 6.346359  14.56661       4.126492  0.5241502      8.252983  28.60907       8.252983  23.56182 10.01556  52.92389 7.797030  -29.36207      12.69272  
1 1 1 13 5  21 o 82.01986 4.318466  68.58744       4.993722  74.68664       9.987444  62.48824       9.987444  85.73798 5.824399  78.30173 6.377537  7.436249       8.636932  
1 1 1 13 5  22 o 115.3837 4.228475  135.7073       6.894957  141.5301       13.78991  129.8844       13.78991  117.9069 5.847797  112.8604 6.109278  5.046501       8.456950  
1 1 1 13 5  23 o 56.23245 8.997311  36.53328       6.999787  32.93570       13.99957  40.13085       13.99957  53.11745 13.21553  59.34745 12.21295  -6.230007      17.99462  
1 1 1 13 5  24 o 38.29531 14.46354  16.23913       15.14318  16.23913       15.14318  ?              ?         38.29531 14.46354  ?        ?         ?              ?         
1 1 1 13 6  0  o 188.2502 2.195226  354.5447       8.262513  354.5447       8.262513  354.5447       8.262513  188.2502 2.195226  188.2502 2.195226  0.000000       0.000000  
1 1 1 13 6  1  o 489.0533 2.631860  2392.479       18.20231  2408.651       36.40462  2376.306       36.40462  490.7068 3.709406  487.3999 3.734574  3.306854       5.263719  
1 1 1 13 6  2  o 811.9897 4.264293  6601.430       48.93180  6308.558       97.86361  6894.300       97.86361  793.9556 6.163041  830.0239 5.895228  -36.06836      8.528586  
1 1 1 13 6  3  o 546.3937 2.888687  2986.579       22.31927  2939.167       44.63854  3033.991       44.63854  542.0551 4.117528  550.7322 4.052653  -8.677185      5.777373  
1 1 1 13 6  4  o 229.1463 1.297386  525.6368       4.197967  492.2628       8.395933  559.0110       8.395933  221.8640 1.892135  236.4285 1.775576  -14.56451      2.594772  
1 1 1 13 6  5  o 473.5645 2.575969  2251.053       17.15877  2520.286       34.31755  1981.821       34.31755  501.9906 3.418146  445.1384 3.854705  56.85223       5.151939  
1 1 1 13 6  6  o 625.1042 3.291761  3908.674       29.09987  3887.794       58.19973  3929.554       58.19973  623.4341 4.667674  626.7744 4.642798  -3.340271      6.583521  
1 1 1 13 6  7  o 140.0702 1.068000  200.3731       2.048951  143.1597       4.097902  257.5865       4.097902  119.6471 1.712495  160.4933 1.276658  -40.84621      2.135999  
1 1 1 13 6  8  o 189.2207 1.217891  359.0953       3.244966  397.5727       6.489933  320.6180       6.489933  199.3880 1.627463  179.0534 1.812290  20.33466       2.435781  
1 1 1 13 6  9  o 322.0351 1.796011  1037.846       8.171978  986.4506       16.34396  1089.241       16.34396  314.0553 2.602082  330.0149 2.476246  -15.95953      3.592023  
1 1 1 13 6  10 o 389.2710 2.130232  1515.771       11.72667  1499.289       23.45334  1532.253       23.45334  387.1539 3.028943  391.3880 2.996175  -4.234100      4.260465  
1 1 1 13 6  11 o 228.9588 1.409054  524.4886       4.560107  543.9726       9.120214  505.0045       9.120214  233.2137 1.955334  224.7038 2.029385  8.509872       2.818109  
1 1 1 13 6  12 o 273.1529 1.612238  746.3327       6.227858  752.5463       12.45572  740.1192       12.45572  274.2903 2.270535  272.0155 2.289523  2.274750       3.224476  
1 1 1 13 6  13 o 193.3471 1.350463  376.8021       3.649991  442.5448       7.299983  311.0593       7.299983  210.3483 1.735213  176.3458 2.069792  34.00246       2.700926  
1 1 1 13 6  14 o 62.48171 2.234160  39.84971       1.915531  50.89975       3.831062  28.79967       3.831062  71.32433 2.685663  53.63909 3.571147  17.68524       4.468319  
1 1 1 13 6  15 o 103.1285 1.710763  107.5795       2.453976  129.9416       4.907952  85.21730       4.907952  113.9704 2.153169  92.28665 2.659080  21.68377       3.421527  
1 1 1 13 6  16 o 295.1873 1.835540  871.9334       7.662123  883.2122       15.32425  860.6547       15.32425  297.0977 2.578991  293.2768 2.612591  3.820892       3.671080  
1 1 1 13 6  17 o 150.9738 1.780801  229.4348       3.769116  194.6694       7.538233  264.2003       7.538233  139.4601 2.702648  162.4876 2.319633  -23.02748      3.561602  
1 1 1 13 6  18 o 166.6758 2.066633  278.3142       4.869832  286.3671       9.739664  270.2614       9.739664  169.0915 2.879998  164.2600 2.964709  4.831451       4.133266  
1 1 1 13 6  19 o 159.8855 2.138982  256.8003       4.822182  279.5245       9.644363  234.0760       9.644363  166.9919 2.887674  152.7790 3.156312  14.21286       4.277963  
1 1 1 13 6  20 o 36.84590 7.180698  14.36648       4.031191  19.91771       8.062383  8.815253       8.062383  43.12252 9.598611  30.56929 10.68253  12.55323       14.36140  
1 1 1 13 6  21 o 62.43660 5.970541  40.41198       5.255797  43.93332       10.51159  36.89065       10.51159  65.25653 8.054055  59.61668 8.815986  5.639854       11.94108  
1 1 1 13 6  22 o 40.88918 7.544287  17.38749       5.179556  31.98269       10.35911  2.792291       10.35911  54.42145 9.881884  27.35690 11.40234  27.06455       15.08857  
1 1 1 13 6  23 o 34.17144 9.366089  9.796844       6.623353  4.593462       13.24671  15.00023       13.24671  30.63169 12.83824  37.71118 13.64089  -7.079483      18.73218  
1 1 1 13 6  24 o 64.44078 8.834906  49.39400       7.819368  37.31949       15.63874  61.46852       15.63874  54.63655 14.18811  74.24502 10.53184  -19.60847      17.66981  
1 1 1 13 7  0  o 58.59171 1.555746  34.40331       1.820231  34.40331       1.820231  34.40331       1.820231  58.59171 1.555746  58.59171 1.555746  0.000000       0.000000  
1 1 1 13 7  1  o 556.9541 2.920021  3103.822       22.99113  3201.033       45.98227  3006.611       45.98227  565.6811 4.064328  548.2271 4.193725  17.45398       5.840042  
1 1 1 13 7  2  o 570.0973 3.053220  3251.309       24.61600  3234.112       49.23199  3268.506       49.23199  568.5890 4.329313  571.6055 4.306467  -3.016541      6.106440  
1 1 1 13 7  3  o 697.3154 3.634658  4866.521       35.82328  4678.927       71.64657  5054.114       71.64657  683.8643 5.238361  710.7665 5.040092  -26.90216      7.269316  
1 1 1 13 7  4  o 208.4145 1.258232  434.4919       3.707171  420.8354       7.414343  448.1484       7.414343  205.1382 1.807158  211.6908 1.751220  -6.552582      2.516464  
1 1 1 13 7  5  o 645.7521 3.418030  4171.421       31.21076  4246.169       62.42152  4096.672       62.42152  651.5398 4.790308  639.9644 4.876953  11.57538       6.836060  
1 1 1 13 7  6  f 104.2131 0.8762164 108.6087       1.291316  109.6999       2.582631  107.5175       2.582631  104.7367 1.232916  103.6896 1.245367  1.047081       1.752433  
1 1 1 13 7  7  o 328.8523 1.849348  1085.129       8.557944  960.4720       17.11589  1209.786       17.11589  309.8990 2.761527  347.8057 2.460553  -37.90674      3.698696  
1 1 1 13 7  8  o 99.53103 1.061648  99.83155       1.477151  82.43453       2.954301  117.2286       2.954301  90.79153 1.626970  108.2705 1.364315  -17.47899      2.123296  
1 1 1 13 7  9  o 415.5858 2.269833  1727.790       13.33724  1684.228       26.67448  1771.351       26.67448  410.3448 3.250252  420.8268 3.169295  -10.48199      4.539666  
1 1 1 13 7  10 o 257.3056 1.487569  662.1542       5.413042  662.4877       10.82608  661.8206       10.82608  257.3704 2.103211  257.2408 2.104271  0.1296387      2.975139  
1 1 1 13 7  11 o 97.62402 1.129260  95.35246       1.558156  99.12156       3.116311  91.58334       3.116311  99.55445 1.565129  95.69360 1.628276  3.860855       2.258520  
1 1 1 13 7  12 o 346.2007 1.999447  1199.208       9.787313  1227.264       19.57463  1171.152       19.57463  350.2527 2.794358  342.1486 2.860545  8.104065       3.998894  
1 1 1 13 7  13 o 365.3494 2.088511  1335.787       10.78796  1299.435       21.57593  1372.139       21.57593  360.3744 2.993543  370.3244 2.913112  -9.949951      4.177023  
1 1 1 13 7  14 o 296.0226 1.798346  877.0988       7.523938  841.5565       15.04788  912.6408       15.04788  290.0193 2.594288  302.0259 2.491156  -12.00656      3.596692  
1 1 1 13 7  15 o 91.29793 1.794486  83.42567       2.315791  86.46572       4.631582  80.38558       4.631582  92.96284 2.491093  89.63301 2.583636  3.329826       3.588972  
1 1 1 13 7  16 o 147.8605 1.579211  218.7327       3.302146  220.5243       6.604293  216.9410       6.604293  148.4663 2.224172  147.2546 2.242474  1.211716       3.158422  
1 1 1 13 7  17 o 266.4454 1.925066  713.5067       7.209448  622.6904       14.41890  804.3228       14.41890  249.4033 2.890679  283.4876 2.543126  -34.08434      3.850132  
1 1 1 13 7  18 o 72.38907 3.099963  52.60086       3.173491  52.25301       6.346982  52.94870       6.346982  72.14881 4.398536  72.62933 4.369435  -0.4805222     6.199926  
1 1 1 13 7  19 o 131.4773 2.253435  173.5557       4.183672  162.6105       8.367344  184.5009       8.367344  127.3149 3.286083  135.6396 3.084402  -8.324783      4.506870  
1 1 1 13 7  20 o 108.1723 3.208315  117.8814       4.907952  117.0761       9.815904  118.6867       9.815904  107.8001 4.552828  108.5445 4.521603  -0.7444458     6.416630  
1 1 1 13 7  21 o 61.21239 6.086272  39.73535       5.036607  31.18217       10.07321  48.28853       10.07321  53.85483 9.706633  68.56996 7.345209  -14.71513      12.17254  
1 1 1 13 7  22 o 37.55035 8.894084  13.35154       6.089673  3.325971       12.17935  23.37710       12.17935  29.48489 12.33116  45.61582 12.82035  -16.13093      17.78817  
1 1 1 13 7  23 o 43.21337 10.63846  21.05655       8.214863  28.70437       16.42973  13.40871       16.42973  48.60923 15.22232  37.81751 14.86568  10.79172       21.27693  
1 1 1 13 7  24 f 35.34270 13.85670  12.52242       14.24736  12.52242       14.24736  ?              ?         35.34270 13.85670  ?        ?         ?              ?         
1 1 1 13 8  0  o 95.86665 1.870477  92.01218       3.583282  92.01218       3.583282  92.01218       3.583282  95.86665 1.870477  95.86665 1.870477  0.000000       0.000000  
1 1 1 13 8  1  o 295.2455 1.657453  871.9382       6.918783  894.5814       13.83757  849.2949       13.83757  299.0801 2.313354  291.4108 2.374237  7.669312       3.314907  
1 1 1 13 8  2  o 415.5083 2.261461  1727.542       13.28006  1799.617       26.56012  1655.467       26.56012  424.1815 3.130750  406.8351 3.264236  17.34631       4.522923  
1 1 1 13 8  3  o 494.3228 2.730790  2466.317       18.83129  2932.382       37.66258  2000.252       37.66258  541.4645 3.477844  447.1810 4.211111  94.28351       5.461580  
1 1 1 13 8  4  o 417.0536 2.279485  1743.052       13.40395  1587.032       26.80790  1899.073       26.80790  398.3485 3.364880  435.7587 3.076003  -37.41019      4.558970  
1 1 1 13 8  5  o 663.0177 3.607917  4397.559       33.82675  4331.815       67.65350  4463.301       67.65350  658.0599 5.140376  667.9756 5.064070  -9.915710      7.215835  
1 1 1 13 8  6  o 450.4985 2.413073  2029.948       15.37190  2065.991       30.74380  1993.906       30.74380  454.4988 3.382165  446.4982 3.442768  8.000580       4.826147  
1 1 1 13 8  7  o 313.5457 1.753735  984.3970       7.762188  915.6904       15.52438  1053.104       15.52438  302.5894 2.565255  324.5021 2.392030  -21.91278      3.507469  
1 1 1 13 8  8  o 486.1557 2.591399  2364.027       17.81634  2349.413       35.63268  2378.641       35.63268  484.6527 3.676105  487.6587 3.653445  -3.006042      5.182799  
1 1 1 13 8  9  o 249.3175 1.533921  627.1743       5.336802  744.2838       10.67360  510.0648       10.67360  272.8035 1.956281  225.8315 2.363179  46.97202       3.067841  
1 1 1 13 8  10 o 70.54656 1.369775  50.09922       1.353261  58.14256       2.706521  42.05590       2.706521  76.24728 1.774831  64.84584 2.086889  11.40144       2.739549  
1 1 1 13 8  11 o 128.4631 1.141156  165.0692       2.072776  161.2763       4.145552  168.8621       4.145552  126.9868 1.632276  129.9394 1.595187  -2.952553      2.282312  
1 1 1 13 8  12 o 469.9345 2.570068  2210.170       17.07777  2254.580       34.15553  2165.760       34.15553  474.6596 3.597897  465.2094 3.670985  9.450195       5.140136  
1 1 1 13 8  13 o 113.2514 1.347468  128.8409       2.144251  112.0252       4.288502  145.6566       4.288502  105.8273 2.026179  120.6754 1.776875  -14.84811      2.694937  
1 1 1 13 8  14 o 326.0244 1.907829  1063.553       8.796195  1055.334       17.59239  1071.773       17.59239  324.7638 2.708490  327.2850 2.687626  -2.521179      3.815658  
1 1 1 13 8  15 o 291.1589 1.791000  848.4515       7.371458  819.6948       14.74292  877.2083       14.74292  286.2206 2.575446  296.0973 2.489539  -9.876678      3.582000  
1 1 1 13 8  16 o 419.1244 2.386798  1758.605       14.14729  1760.859       28.29458  1756.351       28.29458  419.3933 3.373276  418.8555 3.377606  0.5377502      4.773595  
1 1 1 13 8  17 o 47.71896 4.712387  24.76371       2.816116  12.79880       5.632232  36.72863       5.632232  34.92326 8.195746  60.51466 4.653610  -25.59140      9.424773  
1 1 1 13 8  18 o 195.9408 1.840246  384.5023       5.098552  376.6067       10.19710  392.3979       10.19710  193.9259 2.629123  197.9556 2.575605  -4.029602      3.680493  
1 1 1 13 8  19 o 147.7736 2.081954  218.9614       4.350447  222.7543       8.700893  215.1684       8.700893  149.0569 2.918648  146.4902 2.969787  2.566711       4.163909  
1 1 1 13 8  20 o 120.2193 2.837044  145.5041       4.817417  137.1749       9.634833  153.8333       9.634833  116.7551 4.126087  123.6834 3.894957  -6.928360      5.674088  
1 1 1 13 8  21 o 31.77348 7.981177  8.715188       4.769767  2.630281       9.539534  14.80010       9.539534  26.41739 10.97200  37.12957 11.59362  -10.71218      15.96235  
1 1 1 13 8  22 o 58.13797 7.196990  37.69116       5.551227  22.17632       11.10245  53.20601       11.10245  44.52000 12.13824  71.75594 7.736261  -27.23595      14.39398  
1 1 1 13 8  23 o 104.0452 4.409753  112.0586       6.442283  127.0159       12.88457  97.10121       12.88457  111.2331 5.791695  96.85732 6.651313  14.37580       8.819507  
1 1 1 13 8  24 o 51.35880 15.02299  33.84104       16.40114  33.84104       16.40114  ?              ?         51.35880 15.02299  ?        ?         ?              ?         
1 1 1 13 9  0  o 155.7654 2.145332  242.7769       6.680532  242.7769       6.680532  242.7769       6.680532  155.7654 2.145332  155.7654 2.145332  0.000000       0.000000  
1 1 1 13 9  1  o 478.3135 2.560896  2288.969       17.31602  2363.241       34.63203  2214.697       34.63203  486.0775 3.562398  470.5496 3.679956  15.52789       5.121793  
1 1 1 13 9  2  o 130.3861 0.9742228 170.0105       1.796406  169.8914       3.592812  170.1296       3.592812  130.3404 1.378242  130.4318 1.377276  -0.9136963E-01 1.948446  
1 1 1 13 9  3  o 120.9481 1.257534  146.5953       2.144251  159.9516       4.288502  133.2390       4.288502  126.4696 1.695468  115.4266 1.857675  11.04301       2.515068  
1 1 1 13 9  4  o 137.6924 1.159277  190.3332       2.244316  213.9486       4.488632  166.7179       4.488632  146.2678 1.534388  129.1170 1.738203  17.15080       2.318554  
1 1 1 13 9  5  o 245.6017 1.517897  603.7591       5.265327  568.2837       10.53065  639.2345       10.53065  238.3795 2.208800  252.8239 2.082607  -14.44432      3.035795  
1 1 1 13 9  6  o 251.2472 1.526117  636.8616       5.351098  755.5006       10.70220  518.2225       10.70220  274.8572 1.946864  227.6372 2.350713  47.22003       3.052234  
1 1 1 13 9  7  o 312.4508 1.738220  979.1365       7.647829  1083.533       15.29566  874.7400       15.29566  329.1569 2.323460  295.7447 2.585956  33.41214       3.476440  
1 1 1 13 9  8  o 455.9624 2.545100  2080.385       16.40114  1994.954       32.80228  2165.817       32.80228  446.5942 3.672492  465.3307 3.524620  -18.73651      5.090201  
1 1 1 13 9  9  o 370.4058 2.049732  1372.830       10.73078  1318.171       21.46157  1427.490       21.46157  363.0275 2.955915  377.7841 2.840454  -14.75662      4.099465  
1 1 1 13 9  10 o 618.9635 3.312358  3834.859       28.98551  3723.973       57.97101  3945.745       57.97101  610.0061 4.751675  627.9209 4.616108  -17.91479      6.624717  
1 1 1 13 9  11 o 111.3748 1.216008  124.2570       1.910766  114.3886       3.821531  134.1253       3.821531  106.9446 1.786687  115.8051 1.649985  -8.860466      2.432016  
1 1 1 13 9  12 o 216.6623 1.389753  469.7577       4.255147  448.9109       8.510294  490.6046       8.510294  211.8514 2.008553  221.4732 1.921292  -9.621826      2.779505  
1 1 1 13 9  13 o 239.0849 1.557310  571.8289       5.265327  566.0155       10.53065  577.6421       10.53065  237.8692 2.213539  240.3006 2.191142  -2.431488      3.114620  
1 1 1 13 9  14 o 56.40224 2.343270  31.85403       1.867881  33.18348       3.735762  30.52460       3.735762  57.58077 3.243932  55.22371 3.382390  2.357059       4.686540  
1 1 1 13 9  15 o 249.4046 1.643483  622.5141       5.794242  601.3813       11.58848  643.6469       11.58848  245.1680 2.363376  253.6413 2.284424  -8.473282      3.286965  
1 1 1 13 9  16 o 189.0139 1.645837  357.5372       4.398098  367.6580       8.796194  347.4163       8.796194  191.6911 2.294366  186.3366 2.360297  5.354553       3.291674  
1 1 1 13 9  17 o 231.9156 1.793395  538.7645       5.875248  568.4075       11.75050  509.1213       11.75050  238.3065 2.465416  225.5247 2.605146  12.78185       3.586791  
1 1 1 13 9  18 o 77.99217 3.111140  61.13974       3.426036  65.10899       6.852073  57.17050       6.852073  80.53682 4.254001  75.44753 4.540953  5.089294       6.222281  
1 1 1 13 9  19 o 66.28506 3.813225  44.32881       3.573751  45.41047       7.147503  43.24715       7.147503  67.10098 5.325931  65.46915 5.458680  1.631828       7.626449  
1 1 1 13 9  20 o 104.9256 2.965295  111.2485       4.374272  125.0432       8.748544  97.45382       8.748544  111.4992 3.923144  98.35204 4.447566  13.14711       5.930590  
1 1 1 13 9  21 o 88.95602 4.402521  80.83350       5.517872  88.72433       11.03574  72.94266       11.03574  93.39127 5.908339  84.52077 6.528422  8.870499       8.805042  
1 1 1 13 9  22 o 63.22812 7.468401  43.90950       6.337452  56.12219       12.67490  31.69679       12.67490  73.33468 8.641823  53.12157 12.18306  20.21311       14.93680  
1 1 1 13 9  23 o 33.97275 9.167020  10.30670       6.246917  14.61903       12.49383  5.994372       12.49383  37.09112 13.26426  30.85438 12.65688  6.236738       18.33404  
1 1 1 13 9  24 o 88.05255 6.760918  85.10293       8.372108  75.63964       16.74422  94.56622       16.74422  82.67889 10.12605  93.42621 8.961199  -10.74732      13.52184  
1 1 1 13 10 0  o 75.41526 1.860106  56.97989       2.801821  56.97989       2.801821  56.97989       2.801821  75.41526 1.860106  75.41526 1.860106  0.000000       0.000000  
1 1 1 13 10 1  o 97.35124 0.8183492 95.16185       1.119775  83.04446       2.239551  107.2792       2.239551  91.12769 1.228798  103.5748 1.081128  -12.44709      1.636698  
1 1 1 13 10 2  o 369.2255 2.044531  1365.645       10.64978  1475.607       21.29956  1255.683       21.29956  384.1164 2.772539  354.3347 3.005571  29.78177       4.089063  
1 1 1 13 10 3  o 103.4602 1.038299  107.2269       1.515271  116.1040       3.030541  98.34964       3.030541  107.7503 1.406279  99.17004 1.527952  8.580299       2.076598  
1 1 1 13 10 4  o 1116.137 5.756832  12467.58       90.86859  12420.45       181.7372  12514.71       181.7372  1114.026 8.156775  1118.248 8.125977  -4.222168      11.51366  
1 1 1 13 10 5  o 871.0072 4.522282  7592.893       55.67905  7325.342       111.3581  7860.442       111.3581  855.6486 6.507233  886.3658 6.281723  -30.71722      9.044563  
1 1 1 13 10 6  o 570.4135 3.161014  3254.735       25.49752  3208.276       50.99505  3301.193       50.99505  566.3411 4.502150  574.4858 4.438321  -8.144714      6.322028  
1 1 1 13 10 7  o 198.8170 1.287491  399.7408       3.559456  315.9673       7.118913  483.5143       7.118913  177.7490 2.002518  219.8850 1.618781  -42.13599      2.574982  
1 1 1 13 10 8  o 523.7062 2.808697  2744.241       20.79447  2830.163       41.58894  2658.318       41.58894  531.9095 3.909399  515.5029 4.033822  16.40668       5.617394  
1 1 1 13 10 9  o 406.4143 2.219967  1652.874       12.75115  1584.220       25.50229  1721.529       25.50229  397.9680 3.204063  414.8607 3.073597  -16.89264      4.439935  
1 1 1 13 10 10 f 506.0858 2.725966  2564.062       19.49362  2685.631       38.98725  2442.492       38.98725  518.0966 3.762547  494.0750 3.945479  24.02158       5.451932  
1 1 1 13 10 11 o 323.9418 1.850230  1050.068       8.472174  1088.012       16.94435  1012.125       16.94435  329.7984 2.568895  318.0852 2.663492  11.71317       3.700461  
1 1 1 13 10 12 o 224.2461 1.507673  503.8036       4.769767  544.1728       9.539534  463.4345       9.539534  233.2472 2.044941  215.2450 2.215971  18.00215       3.015346  
1 1 1 13 10 13 o 181.3661 1.328436  329.6571       3.397446  358.5759       6.794893  300.7383       6.794893  189.3387 1.794376  173.3937 1.959383  15.94499       2.656872  
1 1 1 13 10 14 o 281.4913 1.741246  793.0154       6.928313  764.3921       13.85663  821.6388       13.85663  276.4071 2.506561  286.5755 2.417622  -10.16846      3.482491  
1 1 1 13 10 15 o 278.9720 1.768662  779.2208       6.971198  818.4177       13.94240  740.0239       13.94240  285.9973 2.437505  271.9468 2.563442  14.05048       3.537325  
1 1 1 13 10 16 o 420.2786 2.413784  1769.421       14.33789  1840.730       28.67578  1698.113       28.67578  428.7621 3.344020  411.7952 3.481801  16.96689       4.827568  
1 1 1 13 10 17 o 167.6071 1.721318  281.4544       4.074077  263.8572       8.148153  299.0515       8.148153  162.3575 2.509324  172.8566 2.356911  -10.49905      3.442636  
1 1 1 13 10 18 o 150.7746 1.951302  228.0721       4.150317  209.5076       8.300633  246.6365       8.300633  144.6182 2.869843  156.9310 2.644677  -12.31273      3.902604  
1 1 1 13 10 19 o 178.6106 2.087044  319.9127       5.270092  310.7067       10.54018  329.1187       10.54018  176.0335 2.993801  181.1877 2.908637  -5.154221      4.174088  
1 1 1 13 10 20 f 94.37083 3.364111  90.02041       4.474337  81.49107       8.948673  98.54977       8.948673  89.85177 4.979687  98.88990 4.524564  -9.038132      6.728222  
1 1 1 13 10 21 o 57.52938 6.752492  35.35631       5.284387  28.55189       10.56877  42.16074       10.56877  51.18200 10.67453  63.87677 8.272784  -12.69476      13.50498  
1 1 1 13 10 22 o 82.61862 4.764825  71.07953       5.446397  54.58786       10.89279  87.57121       10.89279  72.63801 7.497999  92.59923 5.881688  -19.96122      9.529651  
1 1 1 13 10 23 o 27.46668 8.390913  -4.431452      6.618587  -18.72646      13.23717  9.863553       13.23717  21.04757 10.18723  33.88580 13.33605  -12.83822      16.78183  
1 1 1 13 10 24 o 86.15329 6.809954  81.48630       8.295869  79.95673       16.59174  83.01586       16.59174  85.26559 9.729445  87.04099 9.530991  -1.775398      13.61991  
1 1 1 13 11 0  o 96.07407 2.130048  92.44103       4.088372  92.44103       4.088372  92.44103       4.088372  96.07407 2.130048  96.07407 2.130048  0.000000       0.000000  
1 1 1 13 11 1  o 326.2235 1.866737  1064.854       8.605594  1112.933       17.21119  1016.775       17.21119  333.5925 2.579672  318.8545 2.698909  14.73801       3.733473  
1 1 1 13 11 2  o 583.5437 3.018083  3412.499       24.83519  3711.031       49.67038  3113.967       49.67038  609.1230 4.077205  557.9645 4.451035  51.15851       6.036167  
1 1 1 13 11 3  o 139.7911 1.069644  199.2152       2.053716  253.6792       4.107431  144.7512       4.107431  159.2715 1.289443  120.3106 1.707012  38.96098       2.139288  
1 1 1 13 11 4  o 634.0355 3.342517  4023.225       29.94804  4205.209       59.89607  3841.240       59.89607  648.3868 4.618854  619.6841 4.832791  28.70264       6.685034  
1 1 1 13 11 5  o 293.2889 1.661324  860.2877       6.890193  847.9226       13.78039  872.6530       13.78039  291.1809 2.366293  295.3969 2.332520  -4.216034      3.322648  
1 1 1 13 11 6  o 164.3734 1.349705  270.3233       3.135371  258.7968       6.270743  281.8499       6.270743  160.8672 1.949044  167.8796 1.867631  -7.012421      2.699411  
1 1 1 13 11 7  o 865.6163 4.521077  7497.917       55.34550  7494.910       110.6910  7500.922       110.6910  865.4426 6.395051  865.7900 6.392486  -0.3473511     9.042154  
1 1 1 13 11 8  o 195.0474 1.212141  380.7094       3.340266  400.1935       6.680532  361.2253       6.680532  200.0421 1.669782  190.0527 1.757547  9.989395       2.424282  
1 1 1 13 11 9  o 583.4313 3.116904  3406.400       25.71195  3487.801       51.42390  3325.000       51.42390  590.4073 4.354951  576.4553 4.460355  13.95203       6.233809  
1 1 1 13 11 10 o 237.6005 1.457885  564.6623       4.898422  557.0859       9.796844  572.2386       9.796844  236.0061 2.075549  239.1948 2.047880  -3.188705      2.915770  
1 1 1 13 11 11 o 439.4055 2.413485  1934.110       14.97164  1802.600       29.94327  2065.619       29.94327  424.4410 3.527377  454.3699 3.295033  -29.92889      4.826969  
1 1 1 13 11 12 o 146.4782 1.299644  214.6014       2.692226  214.0439       5.384452  215.1589       5.384452  146.2879 1.840361  146.6685 1.835585  -0.3806000     2.599288  
1 1 1 13 11 13 f 197.7719 1.401108  391.6975       3.912067  365.2469       7.824133  418.1480       7.824133  191.0848 2.047293  204.4591 1.913374  -13.37425      2.802215  
1 1 1 13 11 14 o 166.7497 1.417101  278.2285       3.340266  287.9681       6.680532  268.4888       6.680532  169.6702 1.968683  163.8293 2.038870  5.840881       2.834203  
1 1 1 13 11 15 o 49.88123 3.282822  24.93526       2.315791  24.92096       4.631582  24.94955       4.631582  49.86690 4.643944  49.89555 4.641277  -0.2865601E-01 6.565643  
1 1 1 13 11 16 o 297.8916 1.951134  888.2440       8.219628  894.5052       16.43926  881.9828       16.43926  298.9425 2.749568  296.8407 2.769037  2.101837       3.902267  
1 1 1 13 11 17 o 94.81983 2.383568  90.49692       3.173491  102.9050       6.346982  78.08885       6.346982  101.3628 3.130824  88.27686 3.594930  13.08594       4.767136  
1 1 1 13 11 18 o 91.57893 2.867487  85.26019       3.640462  65.94763       7.280923  104.5727       7.280923  81.03472 4.492471  102.1231 3.564776  -21.08842      5.734974  
1 1 1 13 11 19 o 105.9590 2.845539  112.9877       4.255147  104.6299       8.510294  121.3455       8.510294  102.0151 4.171096  109.9028 3.871735  -7.887772      5.691079  
1 1 1 13 11 20 f 40.13985 6.555125  16.54885       4.345681  31.04875       8.691362  2.048951       8.691362  55.07837 7.889997  25.20132 10.47027  29.87705       13.11025  
1 1 1 13 11 21 o 105.1998 3.629755  112.2968       5.384452  102.5429       10.76890  122.0508       10.76890  100.5638 5.354263  109.8357 4.902280  -9.271835      7.259510  
1 1 1 13 11 22 o 55.31292 7.803842  34.90841       6.008667  17.89735       12.01733  51.91946       12.01733  40.20245 13.06910  70.42339 8.532205  -30.22094      15.60768  
1 1 1 13 11 23 o 41.73156 9.001825  18.57874       6.685298  3.783412       13.37060  33.37407       13.37060  30.08862 12.76748  53.37450 12.69342  -23.28588      18.00365  
1 1 1 13 11 24 o 25.02611 11.80355  -11.59801      15.59109  -11.59801      15.59109  ?              ?         25.02611 11.80355  ?        ?         ?              ?         
1 1 1 13 12 0  o 289.6635 3.271223  839.4218       18.94565  839.4218       18.94565  839.4218       18.94565  289.6635 3.271223  289.6635 3.271223  0.000000       0.000000  
1 1 1 13 12 1  o 612.6196 3.267566  3753.993       28.30887  3779.676       56.61775  3728.309       56.61775  614.7158 4.605197  610.5234 4.636821  4.192383       6.535132  
1 1 1 13 12 2  o 87.31239 0.8914953 76.24004       1.100716  77.35504       2.201431  75.12502       2.201431  87.95090 1.251511  86.67387 1.269951  1.277031       1.782991  
1 1 1 13 12 3  o 939.2953 4.868817  8828.065       64.67537  8856.480       129.3507  8799.653       129.3507  940.8078 6.874451  937.7827 6.896626  3.025085       9.737635  
1 1 1 13 12 4  o 1081.473 5.595692  11705.47       85.57943  11817.30       171.1589  11593.63       171.1589  1086.643 7.875579  1076.302 7.951247  10.34094       11.19138  
1 1 1 13 12 5  o 682.6060 3.624202  4663.774       34.95605  4440.153       69.91211  4887.396       69.91211  666.2260 5.246877  698.9860 5.000966  -32.76001      7.248405  
1 1 1 13 12 6  f 519.4255 2.761435  2698.702       20.28461  2681.762       40.56923  2715.641       40.56923  517.7949 3.917500  521.0562 3.892980  -3.261230      5.522871  
1 1 1 13 12 7  o 434.5956 2.383282  1889.147       14.64762  1875.248       29.29523  1903.047       29.29523  432.9965 3.382849  436.1948 3.358045  -3.198273      4.766563  
1 1 1 13 12 8  o 560.5048 2.994871  3146.378       23.70112  3352.846       47.40224  2939.911       47.40224  578.9228 4.094004  542.0868 4.372200  36.83600       5.989741  
1 1 1 13 12 9  o 385.0774 2.132565  1483.398       11.61231  1458.281       23.22462  1508.514       23.22462  381.8162 3.041335  388.3386 2.990254  -6.522400      4.265130  
1 1 1 13 12 10 o 341.6489 1.947669  1168.388       9.401350  1227.665       18.80270  1109.111       18.80270  350.3240 2.683616  332.9739 2.823450  17.35013       3.895338  
1 1 1 13 12 11 o 564.9706 3.063497  3196.568       24.45875  3054.204       48.91751  3338.932       48.91751  552.3714 4.427955  577.5698 4.234770  -25.19843      6.126994  
1 1 1 13 12 12 o 61.30307 1.964588  37.62922       1.701106  39.78777       3.402211  35.47068       3.402211  63.06362 2.697444  59.54251 2.856960  3.521103       3.929176  
1 1 1 13 12 13 o 163.5489 1.392941  267.8598       3.216377  285.7477       6.432753  249.9720       6.432753  169.0176 1.902983  158.0803 2.034647  10.93729       2.785882  
1 1 1 13 12 14 o 37.05330 4.071682  15.37190       1.882176  24.60647       3.764351  6.137322       3.764351  49.57639 3.796516  24.53020 7.204225  25.04619       8.143365  
1 1 1 13 12 15 o 353.6111 2.115872  1251.709       10.57831  1284.826       21.15661  1218.592       21.15661  358.2937 2.952411  348.9284 3.031655  9.365326       4.231744  
1 1 1 13 12 16 o 232.6940 1.725452  542.3668       5.670352  575.0405       11.34070  509.6932       11.34070  239.7148 2.365458  225.6733 2.512638  14.04147       3.450904  
1 1 1 13 12 17 o 45.42195 4.740882  20.80877       3.040071  19.40309       6.080142  22.21444       6.080142  43.87460 6.929001  46.96930 6.472464  -3.094707      9.481764  
1 1 1 13 12 18 o 70.56046 3.552758  50.69009       3.478451  61.88785       6.956903  39.49234       6.956903  78.49533 4.431412  62.62559 5.554361  15.86974       7.105515  
1 1 1 13 12 19 o 164.7184 2.033816  272.3008       4.731647  288.1587       9.463295  256.4429       9.463295  169.5321 2.791004  159.9048 2.959041  9.627304       4.067631  
1 1 1 13 12 20 o 24.15840 6.994505  -1.724931      4.359977  -11.69331      8.719954  8.243454       8.719954  17.87105 8.562938  30.44575 11.06203  -12.57470      13.98901  
1 1 1 13 12 21 f 63.51460 5.726344  41.79860       5.112847  36.70005       10.22569  46.89715       10.22569  59.50092 8.592889  67.52829 7.571415  -8.027374      11.45269  
1 1 1 13 12 22 o 58.36431 7.548888  37.56727       6.018198  46.02992       12.03640  29.10463       12.03640  66.06079 9.110090  50.66783 12.03948  15.39296       15.09778  
1 1 1 13 12 23 o 89.30733 6.004194  85.16012       7.533468  74.59134       15.06694  95.72889       15.06694  83.39024 9.033993  95.22440 7.911280  -11.83416      12.00839  
1 1 1 13 12 24 o 38.31054 14.28447  17.65910       14.66668  17.65910       14.66668  ?              ?         38.31054 14.28447  ?        ?         ?              ?         
1 1 1 13 13 0  o 96.69963 3.225616  93.82288       6.223093  93.82288       6.223093  93.82288       6.223093  96.69963 3.225616  96.69963 3.225616  0.000000       0.000000  
1 1 1 13 13 1  o 983.5587 10.25864  9683.246       201.7502  9683.246       201.7502  9683.246       201.7502  983.5587 10.25864  983.5587 10.25864  0.000000       0.000000  
1 1 1 13 13 2  o 1188.119 12.25914  14134.33       291.2369  14134.33       291.2369  14134.33       291.2369  1188.119 12.25914  1188.119 12.25914  0.000000       0.000000  
1 1 1 13 13 3  o 617.4846 6.550899  3815.213       80.88114  3815.213       80.88114  3815.213       80.88114  617.4846 6.550899  617.4846 6.550899  0.000000       0.000000  
1 1 1 13 13 4  o 466.0283 5.116804  2172.965       47.67861  2172.965       47.67861  2172.965       47.67861  466.0283 5.116804  466.0283 5.116804  0.000000       0.000000  
1 1 1 13 13 5  o 116.8002 1.992148  136.5459       4.650642  136.5459       4.650642  136.5459       4.650642  116.8002 1.992148  116.8002 1.992148  0.000000       0.000000  
1 1 1 13 13 6  o 135.4065 2.119620  183.4907       5.737062  183.4907       5.737062  183.4907       5.737062  135.4065 2.119620  135.4065 2.119620  -0.000000      0.000000  
1 1 1 13 13 7  o 330.1626 4.003393  1090.738       26.42670  1090.738       26.42670  1090.738       26.42670  330.1626 4.003393  330.1626 4.003393  0.000000       0.000000  
1 1 1 13 13 8  o 287.0197 3.381149  824.2691       19.40309  824.2691       19.40309  824.2691       19.40309  287.0197 3.381149  287.0197 3.381149  0.000000       0.000000  
1 1 1 13 13 9  o 173.0383 2.945642  299.7281       10.18757  299.7281       10.18757  299.7281       10.18757  173.0383 2.945642  173.0383 2.945642  0.000000       0.000000  
1 1 1 13 13 10 o 255.7246 3.235908  654.4254       16.54409  654.4254       16.54409  654.4254       16.54409  255.7246 3.235908  255.7246 3.235908  0.000000       0.000000  
1 1 1 13 13 11 o 170.6998 2.988899  291.7230       10.19710  291.7230       10.19710  291.7230       10.19710  170.6998 2.988899  170.6998 2.988899  0.000000       0.000000  
1 1 1 13 13 12 o 117.8069 2.575203  139.0142       6.061082  139.0142       6.061082  139.0142       6.061082  117.8069 2.575203  117.8069 2.575203  -0.000000      0.000000  
1 1 1 13 13 13 o 414.7934 4.640015  1722.644       38.48215  1722.644       38.48215  1722.644       38.48215  414.7934 4.640015  414.7934 4.640015  0.000000       0.000000  
1 1 1 13 13 14 o 21.24129 11.00145  6.661473       5.965783  6.661473       5.965783  6.661473       5.965783  21.24129 11.00145  21.24129 11.00145  0.000000       0.000000  
1 1 1 13 13 15 o 268.4498 3.464331  721.4117       18.59304  721.4117       18.59304  721.4117       18.59304  268.4498 3.464331  268.4498 3.464331  0.000000       0.000000  
1 1 1 13 13 16 o 23.82026 12.01268  8.462644       7.004553  8.462644       7.004553  8.462644       7.004553  23.82026 12.01268  23.82026 12.01268  0.000000       0.000000  
1 1 1 13 13 17 o 429.3153 5.120524  1848.201       43.95238  1848.201       43.95238  1848.201       43.95238  429.3153 5.120524  429.3153 5.120524  0.000000       0.000000  
1 1 1 13 13 18 o 183.4290 3.744218  337.4765       13.72320  337.4765       13.72320  337.4765       13.72320  183.4290 3.744218  183.4290 3.744218  -0.000000      0.000000  
1 1 1 13 13 19 o 103.6463 5.756388  109.0328       11.85532  109.0328       11.85532  109.0328       11.85532  103.6463 5.756388  103.6463 5.756388  0.000000       0.000000  
1 1 1 13 13 20 o 25.36983 15.22209  7.852723       13.54214  7.852723       13.54214  7.852723       13.54214  25.36983 15.22209  25.36983 15.22209  0.000000       0.000000  
1 1 1 13 13 21 o 92.79807 8.729008  90.00137       15.93417  90.00137       15.93417  90.00137       15.93417  92.79807 8.729008  92.79807 8.729008  0.000000       0.000000  
1 1 1 13 13 22 o 25.29650 16.46111  2.649341       19.44121  2.649341       19.44121  2.649341       19.44121  25.29650 16.46111  25.29650 16.46111  0.000000       0.000000  
1 1 1 13 13 23 o 50.71653 18.63430  37.77693       17.41132  37.77693       17.41132  37.77693       17.41132  50.71653 18.63430  50.71653 18.63430  0.000000       0.000000  
1 1 1 14 0  0  o 187.7302 3.146829  352.7436       11.80767  352.7436       11.80767  352.7436       11.80767  187.7302 3.146829  187.7302 3.146829  -0.000000      0.000000  
1 1 1 14 0  1  o 23.20602 2.256821  5.536932       1.029240  5.536932       1.029240  5.536932       1.029240  23.20602 2.256821  23.20602 2.256821  0.000000       0.000000  
1 1 1 14 0  2  o 608.2282 6.831034  3702.654       83.07305  3702.654       83.07305  3702.654       83.07305  608.2282 6.831034  608.2282 6.831034  0.000000       0.000000  
1 1 1 14 0  3  o 229.7468 3.047941  528.1624       13.99957  528.1624       13.99957  528.1624       13.99957  229.7468 3.047941  229.7468 3.047941  0.000000       0.000000  
1 1 1 14 0  4  o 408.5064 5.113158  1669.914       41.76048  1669.914       41.76048  1669.914       41.76048  408.5064 5.113158  408.5064 5.113158  0.000000       0.000000  
1 1 1 14 0  5  o 637.2517 6.670756  4063.308       84.99810  4063.308       84.99810  4063.308       84.99810  637.2517 6.670756  637.2517 6.670756  -0.000000      0.000000  
1 1 1 14 0  6  o 350.4074 3.799052  1228.398       26.61730  1228.398       26.61730  1228.398       26.61730  350.4074 3.799052  350.4074 3.799052  0.000000       0.000000  
1 1 1 14 0  7  o 1677.040 17.17697  28185.37       575.9934  28185.37       575.9934  28185.37       575.9934  1677.040 17.17697  1677.040 17.17697  0.000000       0.000000  
1 1 1 14 0  8  o 152.4138 2.076767  232.4368       6.327922  232.4368       6.327922  232.4368       6.327922  152.4138 2.076767  152.4138 2.076767  0.000000       0.000000  
1 1 1 14 0  9  o 126.6245 2.161426  160.4853       5.470222  160.4853       5.470222  160.4853       5.470222  126.6245 2.161426  126.6245 2.161426  0.000000       0.000000  
1 1 1 14 0  10 o 160.5907 2.306558  258.0725       7.404812  258.0725       7.404812  258.0725       7.404812  160.5907 2.306558  160.5907 2.306558  0.000000       0.000000  
1 1 1 14 0  11 o 194.9584 2.555080  380.3329       9.958854  380.3329       9.958854  380.3329       9.958854  194.9584 2.555080  194.9584 2.555080  0.000000       0.000000  
1 1 1 14 0  12 o 210.1484 2.674291  441.9158       11.23588  441.9158       11.23588  441.9158       11.23588  210.1484 2.674291  210.1484 2.674291  0.000000       0.000000  
1 1 1 14 0  13 o 211.5382 2.843869  447.8340       12.02687  447.8340       12.02687  447.8340       12.02687  211.5382 2.843869  211.5382 2.843869  0.000000       0.000000  
1 1 1 14 0  14 o 245.6362 3.269965  603.9354       16.05806  603.9354       16.05806  603.9354       16.05806  245.6362 3.269965  245.6362 3.269965  0.000000       0.000000  
1 1 1 14 0  15 o 274.7732 3.514694  755.7484       19.30779  755.7484       19.30779  755.7484       19.30779  274.7732 3.514694  274.7732 3.514694  -0.000000      0.000000  
1 1 1 14 0  16 o 80.63562 4.822343  65.78561       7.719304  65.78561       7.719304  65.78561       7.719304  80.63562 4.822343  80.63562 4.822343  0.000000       0.000000  
1 1 1 14 0  17 o 178.6752 3.111657  319.7316       11.11199  319.7316       11.11199  319.7316       11.11199  178.6752 3.111657  178.6752 3.111657  -0.000000      0.000000  
1 1 1 14 0  18 o 33.72188 13.45768  15.92464       8.748544  15.92464       8.748544  15.92464       8.748544  33.72188 13.45768  33.72188 13.45768  0.000000       0.000000  
1 1 1 14 0  19 o 187.9496 4.355696  354.7353       16.35349  354.7353       16.35349  354.7353       16.35349  187.9496 4.355696  187.9496 4.355696  0.000000       0.000000  
1 1 1 14 0  20 o 123.7298 4.670514  154.3289       11.52177  154.3289       11.52177  154.3289       11.52177  123.7298 4.670514  123.7298 4.670514  0.000000       0.000000  
1 1 1 14 0  21 o 121.0861 6.276968  149.1541       15.11459  149.1541       15.11459  149.1541       15.11459  121.0861 6.276968  121.0861 6.276968  0.000000       0.000000  
1 1 1 14 0  22 o 143.6662 6.610376  210.0699       18.90753  210.0699       18.90753  210.0699       18.90753  143.6662 6.610376  143.6662 6.610376  -0.000000      0.000000  
1 1 1 14 0  23 o 63.77267 18.17080  53.12977       20.06066  53.12977       20.06066  53.12977       20.06066  63.77267 18.17080  63.77267 18.17080  0.000000       0.000000  
1 1 1 14 1  0  o 422.8803 4.522997  1789.315       38.24390  1789.315       38.24390  1789.315       38.24390  422.8803 4.522997  422.8803 4.522997  0.000000       0.000000  
1 1 1 14 1  1  o 618.9926 3.356365  3837.218       29.33812  4076.898       58.67624  3597.539       58.67624  638.3530 4.595908  599.6321 4.892686  38.72089       6.712730  
1 1 1 14 1  2  o 386.6985 2.140824  1495.648       11.70761  1497.297       23.41522  1494.000       23.41522  386.9117 3.025913  386.4853 3.029251  0.4263611      4.281648  
1 1 1 14 1  3  o 358.8351 2.147618  1289.057       10.88326  1210.406       21.76653  1367.708       21.76653  347.8759 3.128491  369.7943 2.943059  -21.91846      4.295236  
1 1 1 14 1  4  o 232.3217 1.425668  539.7746       4.683997  543.2197       9.367994  536.3295       9.367994  233.0632 2.009754  231.5802 2.022624  1.482910       2.851337  
1 1 1 14 1  5  o 503.2719 2.656470  2533.628       18.90277  2595.516       37.80553  2471.740       37.80553  509.4205 3.710641  497.1234 3.802429  12.29712       5.312939  
1 1 1 14 1  6  o 959.1736 4.946410  9205.913       67.09599  9260.210       134.1920  9151.615       134.1920  962.0040 6.974607  956.3431 7.015891  5.660889       9.892819  
1 1 1 14 1  7  o 223.7203 1.439876  500.9018       4.550577  473.7556       9.101154  528.0480       9.101154  217.6533 2.090746  229.7873 1.980343  -12.13400      2.879753  
1 1 1 14 1  8  o 281.8152 1.576128  794.3735       6.280273  775.4373       12.56055  813.3097       12.56055  278.4556 2.255395  285.1749 2.202253  -6.719330      3.152257  
1 1 1 14 1  9  o 317.4969 1.779657  1010.171       7.967083  920.4269       15.93417  1099.915       15.93417  303.3638 2.626247  331.6299 2.402402  -28.26614      3.559313  
1 1 1 14 1  10 o 440.3662 2.389121  1940.061       14.87634  1899.549       29.75267  1980.573       29.75267  435.7664 3.413833  444.9660 3.343253  -9.199646      4.778242  
1 1 1 14 1  11 o 285.8106 1.663408  817.0596       6.723418  819.9330       13.44684  814.1864       13.44684  286.3132 2.348274  285.3079 2.356548  1.005310       3.326816  
1 1 1 14 1  12 o 113.1637 1.278279  128.1452       2.044186  122.4034       4.088372  133.8870       4.088372  110.6267 1.847823  115.7006 1.766789  -5.073921      2.556559  
1 1 1 14 1  13 o 133.3725 1.195923  178.0110       2.253846  169.6436       4.507692  186.3783       4.507692  130.2357 1.730590  136.5094 1.651056  -6.273666      2.391846  
1 1 1 14 1  14 o 158.6978 1.350923  252.2592       3.025776  233.7519       6.051552  270.7664       6.051552  152.8668 1.979354  164.5288 1.839056  -11.66194      2.701846  
1 1 1 14 1  15 o 235.6593 1.599023  555.7087       5.327272  572.5245       10.65454  538.8931       10.65454  239.2271 2.226868  232.0915 2.295333  7.135574       3.198045  
1 1 1 14 1  16 o 145.9489 1.634762  213.9438       3.354562  187.3789       6.709123  240.5087       6.709123  136.8482 2.451301  155.0497 2.163540  -18.20149      3.269523  
1 1 1 14 1  17 o 92.32414 2.311683  86.01781       2.982891  101.1229       5.965783  70.91276       5.965783  100.5046 2.967916  84.14370 3.544997  16.36089       4.623367  
1 1 1 14 1  18 o 119.9768 2.191221  144.9657       3.688112  166.0413       7.376224  123.8901       7.376224  128.7600 2.864330  111.1936 3.316838  17.56640       4.382442  
1 1 1 14 1  19 o 112.6969 2.515174  127.9737       3.983541  111.5487       7.967083  144.3986       7.967083  105.4097 3.779104  119.9841 3.320057  -14.57445      5.030348  
1 1 1 14 1  20 o 91.50826 3.699363  84.58355       4.784062  80.95738       9.568124  88.20972       9.568124  89.52693 5.343712  93.48959 5.117213  -3.962662      7.398725  
1 1 1 14 1  21 o 101.6410 3.322101  104.7395       4.750707  116.8474       9.501413  92.63163       9.501413  107.5971 4.415272  95.68476 4.964957  11.91238       6.644202  
1 1 1 14 1  22 o 51.10714 9.629208  29.69549       7.128443  33.59326       14.25689  25.79772       14.25689  54.49878 13.20076  47.71550 14.02236  6.783279       19.25842  
1 1 1 14 1  23 o 54.21716 8.346272  33.36454       6.389868  42.47523       12.77974  24.25386       12.77974  62.80441 10.17424  45.62990 13.23352  17.17450       16.69254  
1 1 1 14 1  24 o 39.12754 15.50920  16.29631       18.02124  16.29631       18.02124  ?              ?         39.12754 15.50920  ?        ?         ?              ?         
1 1 1 14 2  0  o 708.5476 7.365693  5025.133       104.3535  5025.133       104.3535  5025.133       104.3535  708.5476 7.365693  708.5476 7.365693  0.000000       0.000000  
1 1 1 14 2  1  o 673.4214 3.570411  4537.559       34.00305  4554.379       68.00610  4520.738       68.00610  674.6703 5.039951  672.1725 5.058680  2.497742       7.140823  
1 1 1 14 2  2  o 167.6630 0.9791107 281.9737       2.311026  312.9558       4.622052  250.9917       4.622052  176.9024 1.306385  158.4236 1.458763  18.47876       1.958221  
1 1 1 14 2  3  o 270.5989 1.687882  732.8811       6.451812  773.5123       12.90362  692.2500       12.90362  278.1066 2.319906  263.0913 2.452309  15.01529       3.375765  
1 1 1 14 2  4  o 97.77658 0.8444588 95.61929       1.167425  97.97797       2.334851  93.26061       2.334851  98.98274 1.179423  96.57043 1.208885  2.412315       1.688918  
1 1 1 14 2  5  o 259.2092 1.445492  672.7468       5.289153  625.8068       10.57831  719.6868       10.57831  250.1548 2.114352  268.2637 1.971624  -18.10895      2.890984  
1 1 1 14 2  6  o 97.24770 0.8909436 94.60911       1.224606  90.91624       2.449211  98.30199       2.449211  95.34900 1.284340  99.14639 1.235149  -3.797394      1.781887  
1 1 1 14 2  7  o 727.2133 3.783638  5290.410       38.91100  5339.318       77.82201  5241.502       77.82201  730.5760 5.326073  723.8506 5.375558  6.725403       7.567276  
1 1 1 14 2  8  o 527.8010 2.833483  2789.194       21.11849  2964.212       42.23698  2614.175       42.23698  544.3809 3.879359  511.2210 4.130991  33.15991       5.666966  
1 1 1 14 2  9  o 366.1514 1.988766  1343.459       10.26858  1226.073       20.53716  1460.845       20.53716  350.1217 2.932860  382.1811 2.686836  -32.05936      3.977531  
1 1 1 14 2  10 o 134.1590 1.109839  180.2457       2.101366  166.9180       4.202732  193.5734       4.202732  129.1918 1.626547  139.1261 1.510404  -9.934250      2.219679  
1 1 1 14 2  11 o 379.1058 2.113086  1442.390       11.27399  1606.120       22.54799  1278.660       22.54799  400.7001 2.813575  357.5115 3.153463  43.18857       4.226172  
1 1 1 14 2  12 o 428.0125 2.357379  1834.831       14.24736  1717.640       28.49471  1952.021       28.49471  414.3224 3.438713  441.7025 3.225555  -27.38016      4.714759  
1 1 1 14 2  13 o 310.3171 1.805929  963.4405       7.924198  944.0613       15.84840  982.8198       15.84840  307.1946 2.579537  313.4396 2.528142  -6.244995      3.611857  
1 1 1 14 2  14 o 207.8893 1.456325  433.4579       4.264677  389.0624       8.529353  477.8535       8.529353  197.2116 2.162488  218.5670 1.951199  -21.35536      2.912651  
1 1 1 14 2  15 o 380.9219 2.178778  1452.601       11.73143  1400.158       23.46287  1505.045       23.46287  374.0381 3.136428  387.8057 3.025080  -13.76761      4.357555  
1 1 1 14 2  16 o 361.0837 2.120302  1306.144       10.81179  1225.501       21.62358  1386.787       21.62358  349.9169 3.089816  372.2505 2.904439  -22.33359      4.240604  
1 1 1 14 2  17 o 138.8389 1.672322  192.9159       3.283086  189.1039       6.566173  196.7279       6.566173  137.4660 2.388289  140.2117 2.341521  -2.745651      3.344644  
1 1 1 14 2  18 f 152.8927 2.046061  235.2053       4.393332  267.0593       8.786663  203.3512       8.786663  163.3098 2.690182  142.4756 3.083568  20.83424       4.092123  
1 1 1 14 2  19 o 70.93820 3.777206  50.98076       3.759587  43.68554       7.519173  58.27597       7.519173  65.79625 5.713983  76.08015 4.941613  -10.28391      7.554412  
1 1 1 14 2  20 o 24.93581 7.247051  2.425386       4.107431  2.782761       8.214863  2.068011       8.214863  25.21010 10.28916  24.66153 10.20844  0.5485764      14.49410  
1 1 1 14 2  21 o 97.47016 3.854244  96.52464       5.298682  88.51468       10.59736  104.5346       10.59736  93.36123 5.675463  101.5791 5.216311  -8.217865      7.708488  
1 1 1 14 2  22 o 51.29470 7.257221  29.85750       5.370157  49.37495       10.74031  10.34005       10.74031  69.17098 7.763597  33.41842 12.26359  35.75256       14.51444  
1 1 1 14 2  23 o 56.51193 9.429475  37.39573       7.423873  34.90840       14.84775  39.88307       14.84775  54.40243 13.65552  58.62144 13.00718  -4.219009      18.85895  
1 1 1 14 2  24 o 99.43415 6.776175  110.5719       9.067800  74.72476       18.13560  146.4190       18.13560  81.40859 11.13863  117.4597 7.719923  -36.05112      13.55235  
1 1 1 14 3  0  o 114.7912 1.470001  131.8381       3.373621  131.8381       3.373621  131.8381       3.373621  114.7912 1.470001  114.7912 1.470001  -0.000000      0.000000  
1 1 1 14 3  1  o 706.3704 3.722532  4992.641       37.18607  5021.778       74.37215  4963.502       74.37215  708.4329 5.249061  704.3079 5.279804  4.125000       7.445064  
1 1 1 14 3  2  o 134.4057 0.8970107 180.9319       1.701106  195.0792       3.402211  166.7846       3.402211  139.6686 1.217958  129.1428 1.317228  10.52583       1.794021  
1 1 1 14 3  3  o 289.1130 1.768489  837.6064       7.209448  763.4295       14.41890  911.7830       14.41890  276.2847 2.609427  301.9414 2.387698  -25.65668      3.536978  
1 1 1 14 3  4  o 459.7652 2.536489  2114.313       16.49167  2091.293       32.98335  2137.332       32.98335  457.2618 3.606615  462.2686 3.567552  -5.006836      5.072977  
1 1 1 14 3  5  o 354.5036 2.104870  1257.089       10.54971  1291.230       21.09943  1222.947       21.09943  359.3190 2.936030  349.6882 3.016891  9.630737       4.209740  
1 1 1 14 3  6  o 677.9063 3.528754  4598.232       33.81722  4745.904       67.63444  4450.559       67.63444  688.7981 4.909598  667.0145 5.069938  21.78363       7.057508  
1 1 1 14 3  7  o 524.1715 2.743494  2748.105       20.33703  2733.072       40.67405  2763.139       40.67405  522.7375 3.890486  525.6055 3.869257  -2.867981      5.486988  
1 1 1 14 3  8  o 838.6881 4.360914  7038.233       51.72409  7044.064       103.4482  7032.399       103.4482  839.0358 6.164707  838.3404 6.169820  0.6953735      8.721828  
1 1 1 14 3  9  o 196.1222 1.240815  386.5322       3.416506  440.1432       6.833013  332.9211       6.833013  209.7899 1.628537  182.4544 1.872526  27.33553       2.481630  
1 1 1 14 3  10 o 144.7363 1.054119  209.7506       2.153781  224.2505       4.307562  195.2507       4.307562  149.7454 1.438295  139.7272 1.541418  10.01814       2.108237  
1 1 1 14 3  11 o 427.0498 2.322787  1824.538       14.02816  1831.047       28.05633  1818.029       28.05633  427.8119 3.279050  426.2877 3.290774  1.524170       4.645575  
1 1 1 14 3  12 o 214.4443 1.382346  462.6769       4.155082  391.8547       8.310163  533.4991       8.310163  197.9313 2.099255  230.9572 1.799070  -33.02594      2.764692  
1 1 1 14 3  13 o 42.33733 2.562115  17.97359       1.529566  16.39161       3.059131  19.55557       3.059131  40.46903 3.779595  44.20564 3.460114  -3.736610      5.124230  
1 1 1 14 3  14 o 483.0089 2.660570  2335.513       18.17372  2329.838       36.34743  2341.188       36.34743  482.4214 3.767187  483.5963 3.758034  -1.174927      5.321139  
1 1 1 14 3  15 o 115.8160 1.543457  134.4445       2.520686  146.2379       5.041372  122.6511       5.041372  120.9075 2.084806  110.7246 2.276536  10.18285       3.086913  
1 1 1 14 3  16 o 173.3348 1.520380  300.8717       3.721466  282.0595       7.442933  319.6840       7.442933  167.9082 2.216369  178.7613 2.081807  -10.85312      3.040759  
1 1 1 14 3  17 o 170.9090 1.725631  292.6092       4.164612  311.1070       8.329224  274.1115       8.329224  176.3206 2.361954  165.4974 2.516421  10.82315       3.451261  
1 1 1 14 3  18 o 100.5594 2.369476  101.6375       3.354562  112.7113       6.709123  90.56362       6.709123  106.0655 3.162727  95.05323 3.529140  11.01226       4.738953  
1 1 1 14 3  19 o 179.3079 2.122550  322.4429       5.379687  334.1315       10.75937  310.7543       10.75937  182.5672 2.946688  176.0485 3.055798  6.518707       4.245100  
1 1 1 14 3  20 o 64.41951 4.624457  42.52288       4.150317  34.23178       8.300633  50.81398       8.300633  57.98426 7.157660  70.85475 5.857500  -12.87049      9.248914  
1 1 1 14 3  21 o 69.16128 5.556093  49.72279       5.351098  40.02602       10.70220  59.41957       10.70220  62.15101 8.609832  76.17155 7.025060  -14.02054      11.11219  
1 1 1 14 3  22 o 73.43770 5.907874  56.05072       6.113498  61.35416       12.22700  50.74727       12.22700  77.04855 7.934605  69.82685 8.755224  7.221695       11.81575  
1 1 1 14 3  23 o 71.72900 6.879989  55.18825       6.975962  56.96083       13.95192  53.41567       13.95192  72.96461 9.560749  70.49339 9.895911  2.471222       13.75998  
1 1 1 14 3  24 o 72.57079 8.337079  60.83478       8.319694  54.65457       16.63939  67.01499       16.63939  67.79061 12.74131  77.35095 10.75577  -9.560341      16.67416  
1 1 1 14 4  0  o 80.96278 1.336806  65.60455       2.163311  65.60455       2.163311  65.60455       2.163311  80.96278 1.336806  80.96278 1.336806  0.000000       0.000000  
1 1 1 14 4  1  o 261.0751 1.465994  682.8342       5.398747  739.3377       10.79749  626.3309       10.79749  271.8964 1.985590  250.2538 2.157309  21.64258       2.931987  
1 1 1 14 4  2  o 257.1704 1.413574  661.7967       5.136672  693.4316       10.27334  630.1620       10.27334  263.3209 1.950727  251.0198 2.046321  12.30110       2.827148  
1 1 1 14 4  3  o 288.2941 1.685649  834.7997       6.828248  725.6907       13.65650  943.9088       13.65650  269.3709 2.534887  307.2173 2.222612  -37.84641      3.371299  
1 1 1 14 4  4  o 442.8638 2.421492  1969.333       15.07647  2215.564       30.15293  1723.101       30.15293  470.6637 3.203235  415.0639 3.632324  55.59982       4.842984  
1 1 1 14 4  5  o 962.8248 5.225947  9276.383       71.15578  9181.178       142.3116  9371.587       142.3116  957.8808 7.428458  967.7689 7.352559  -9.888123      10.45189  
1 1 1 14 4  6  o 283.0782 1.624080  801.5734       6.499463  825.9940       12.99893  777.1528       12.99893  287.3916 2.261536  278.7648 2.331522  8.626801       3.248159  
1 1 1 14 4  7  o 117.4896 0.9378271 138.0469       1.558156  139.8052       3.116311  136.2886       3.116311  118.2379 1.317814  116.7413 1.334708  1.496544       1.875654  
1 1 1 14 4  8  o 269.7881 1.525357  730.0460       5.794242  651.1852       11.58848  808.9067       11.58848  255.1728 2.270713  284.4034 2.037332  -29.23067      3.050715  
1 1 1 14 4  9  o 396.3687 2.144789  1571.445       12.02210  1588.261       24.04420  1554.630       24.04420  398.4899 3.016914  394.2475 3.049379  4.242462       4.289579  
1 1 1 14 4  10 o 199.0613 1.243398  397.5870       3.483216  442.9069       6.966432  352.2671       6.966432  210.4447 1.655170  187.6779 1.855955  22.76683       2.486796  
1 1 1 14 4  11 o 203.1387 1.308455  413.0161       3.754822  390.6825       7.509643  435.3496       7.509643  197.6416 1.899814  208.6358 1.799701  -10.99425      2.616910  
1 1 1 14 4  12 o 258.2142 1.581265  667.2146       5.770417  695.4711       11.54083  638.9581       11.54083  263.6857 2.188370  252.7427 2.283120  10.94301       3.162530  
1 1 1 14 4  13 o 424.1301 2.368265  1802.176       14.18065  1680.244       28.36129  1924.108       28.36129  409.7557 3.460756  438.5044 3.233866  -28.74863      4.736531  
1 1 1 14 4  14 o 212.8829 1.478864  453.4662       4.450512  468.2758       8.901024  438.6565       8.901024  216.3613 2.056982  209.4045 2.125318  6.956726       2.957727  
1 1 1 14 4  15 o 177.1899 1.508661  314.7093       3.769116  286.5958       7.538233  342.8228       7.538233  169.2568 2.226863  185.1231 2.036005  -15.86632      3.017323  
1 1 1 14 4  16 o 228.5623 1.658178  522.9304       5.355862  499.7248       10.71172  546.1359       10.71172  223.4859 2.396510  233.6387 2.292369  -10.15285      3.316356  
1 1 1 14 4  17 o 166.9187 1.595747  278.9242       3.764351  267.0879       7.528703  290.7604       7.528703  163.3732 2.304142  170.4642 2.208294  -7.091034      3.191494  
1 1 1 14 4  18 o 51.30798 4.661214  27.71802       3.125841  37.27185       6.251682  18.16419       6.251682  60.89577 5.133101  41.72017 7.781963  19.17560       9.322429  
1 1 1 14 4  19 o 61.52933 4.135800  38.47262       3.564222  44.54324       7.128443  32.40201       7.128443  66.46244 5.362761  56.59622 6.297632  9.866219       8.271601  
1 1 1 14 4  20 o 98.49214 3.503155  97.85886       4.879362  98.72131       9.758724  96.99638       9.758724  98.92999 4.932137  98.05431 4.976183  0.8756790      7.006310  
1 1 1 14 4  21 o 23.38710 7.427157  -4.040722      5.155732  -2.268141      10.31146  -5.813303      10.31146  24.28836 10.74465  22.48583 10.25686  1.802528       14.85431  
1 1 1 14 4  22 o 134.4298 3.883912  184.3484       7.338103  161.1047       14.67621  207.5921       14.67621  125.7845 5.833868  143.0751 5.128847  -17.29057      7.767824  
1 1 1 14 4  23 o 32.17294 9.599660  4.993722       7.495348  6.451812       14.99070  3.535631       14.99070  32.96009 13.72578  31.38579 13.42448  1.574303       19.19932  
1 1 1 14 4  24 o 83.76328 7.430641  78.32234       8.786664  83.14928       17.57333  73.49539       17.57333  86.64458 10.14104  80.88197 10.86356  5.762611       14.86128  
1 1 1 14 5  0  o 201.2923 2.311076  405.3683       9.301284  405.3683       9.301284  405.3683       9.301284  201.2923 2.311076  201.2923 2.311076  -0.000000      0.000000  
1 1 1 14 5  1  o 421.2958 2.314392  1776.860       13.77085  1671.115       27.54171  1882.605       27.54171  408.7458 3.369051  433.8457 3.174137  -25.09988      4.628785  
1 1 1 14 5  2  o 126.8427 0.8591393 161.0380       1.539096  170.6252       3.078191  151.4508       3.078191  130.6218 1.178283  123.0635 1.250651  7.558327       1.718279  
1 1 1 14 5  3  o 370.5864 2.004844  1374.389       10.49730  1443.081       20.99460  1305.696       20.99460  379.8544 2.763506  361.3183 2.905277  18.53610       4.009688  
1 1 1 14 5  4  o 417.8461 2.242612  1746.659       13.24671  1804.335       26.49341  1688.984       26.49341  424.7477 3.118724  410.9446 3.223477  13.80301       4.485225  
1 1 1 14 5  5  o 556.8502 2.962994  3101.835       23.32945  3033.257       46.65890  3170.413       46.65890  550.6926 4.236384  563.0079 4.143717  -12.31531      5.925989  
1 1 1 14 5  6  o 838.5682 4.377332  7035.578       51.90993  7096.889       103.8199  6974.267       103.8199  842.2239 6.163436  834.9125 6.217410  7.311401       8.754663  
1 1 1 14 5  7  o 405.4099 2.180857  1645.479       12.48430  1751.052       24.96861  1539.906       24.96861  418.4304 2.983604  392.3893 3.181612  26.04114       4.361714  
1 1 1 14 5  8  o 193.5659 1.217707  375.9682       3.316442  419.6442       6.632883  332.2922       6.632883  204.8478 1.618978  182.2840 1.819382  22.56389       2.435414  
1 1 1 14 5  9  o 547.6016 2.918509  3000.365       22.59564  2920.346       45.19128  3080.383       45.19128  540.2953 4.182091  554.9078 4.071963  -14.61255      5.837017  
1 1 1 14 5  10 f 364.9062 2.030977  1332.147       10.47824  1367.213       20.95648  1297.081       20.95648  369.7110 2.834171  360.1014 2.909802  9.609528       4.061954  
1 1 1 14 5  11 o 212.6348 1.317193  452.2988       3.959717  439.3046       7.919433  465.2929       7.919433  209.5793 1.889364  215.6903 1.835834  -6.111023      2.634385  
1 1 1 14 5  12 o 86.57691 1.338972  74.97731       1.639161  73.45727       3.278321  76.49734       3.278321  85.69906 1.912694  87.45477 1.874295  -1.755707      2.677943  
1 1 1 14 5  13 o 319.6116 1.874935  1022.179       8.472174  993.4362       16.94435  1050.921       16.94435  315.1151 2.688596  324.1081 2.613996  -8.992950      3.749870  
1 1 1 14 5  14 f 344.7892 2.016854  1189.888       9.830199  1150.291       19.66040  1229.485       19.66040  339.0470 2.899362  350.5314 2.804370  -11.48444      4.033707  
1 1 1 14 5  15 o 312.8596 2.039764  979.4988       9.024914  976.7968       18.04983  982.2003       18.04983  312.4278 2.888640  313.2914 2.880677  -0.8635559     4.079527  
1 1 1 14 5  16 o 352.8194 2.161343  1245.991       10.78320  1225.635       21.56640  1266.347       21.56640  349.9346 3.081490  355.7042 3.031508  -5.769531      4.322687  
1 1 1 14 5  17 o 168.1184 1.711740  282.8744       4.069312  287.6822       8.138623  278.0664       8.138623  169.5484 2.400089  166.6885 2.441267  2.859818       3.423480  
1 1 1 14 5  18 o 158.1185 1.890956  250.4437       4.226557  259.0350       8.453114  241.8524       8.453114  160.8352 2.627880  155.4018 2.719761  5.433441       3.781911  
1 1 1 14 5  19 o 181.6692 2.294734  331.8300       5.875248  363.5220       11.75050  300.1379       11.75050  190.3916 3.085875  172.9467 3.397143  17.44493       4.589467  
1 1 1 14 5  20 o 76.15083 4.193166  59.46722       4.426687  46.11569       8.853374  72.81876       8.853374  67.38432 6.569313  84.91734 5.212936  -17.53302      8.386333  
1 1 1 14 5  21 o 85.49055 4.438491  74.53892       5.365392  73.05701       10.73078  76.02084       10.73078  84.62384 6.340284  86.35727 6.213017  -1.733429      8.876982  
1 1 1 14 5  22 o 57.83341 7.102386  35.84235       5.656057  32.10658       11.31211  39.57811       11.31211  54.15247 10.82742  61.51435 9.194696  -7.361877      14.20477  
1 1 1 14 5  23 o 92.39040 5.463021  89.46290       7.128443  94.55670       14.25689  84.36913       14.25689  95.14706 7.492026  89.63374 7.952858  5.513329       10.92604  
1 1 1 14 5  24 o 45.60393 15.42675  26.57918       16.74422  26.57918       16.74422  ?              ?         45.60393 15.42675  ?        ?         ?              ?         
1 1 1 14 6  0  o 425.1521 4.561615  1808.538       38.77758  1808.538       38.77758  1808.538       38.77758  425.1521 4.561615  425.1521 4.561615  0.000000       0.000000  
1 1 1 14 6  1  o 316.5489 1.752687  1002.814       7.838428  951.2564       15.67686  1054.371       15.67686  308.4052 2.541600  324.6925 2.414108  -16.28729      3.505375  
1 1 1 14 6  2  o 447.9594 2.439546  2007.271       15.45290  1971.195       30.90580  2043.347       30.90580  443.9326 3.480911  451.9861 3.418889  -8.053406      4.879092  
1 1 1 14 6  3  o 719.1134 3.731227  5173.662       37.94371  5110.502       75.88742  5236.823       75.88742  714.7219 5.308877  723.5049 5.244431  -8.783081      7.462455  
1 1 1 14 6  4  o 367.5515 1.984444  1351.383       10.31146  1310.176       20.62293  1392.591       20.62293  361.9457 2.848898  373.1572 2.763303  -11.21143      3.968887  
1 1 1 14 6  5  o 729.1172 3.887779  5318.062       40.08796  5317.723       80.17593  5318.399       80.17593  729.0941 5.498325  729.1404 5.497975  -0.4632568E-01 7.775558  
1 1 1 14 6  6  o 1005.791 5.200065  10124.30       73.95283  10344.06       147.9057  9904.532       147.9057  1016.716 7.273695  994.8666 7.433442  21.84967       10.40013  
1 1 1 14 6  7  o 425.2758 2.304770  1808.890       13.86139  1820.231       27.72278  1797.549       27.72278  426.6092 3.249201  423.9425 3.269639  2.666656       4.609539  
1 1 1 14 6  8  o 402.1641 2.184587  1618.238       12.41759  1681.617       24.83519  1554.858       24.83519  410.0439 3.028358  394.2843 3.149401  15.75955       4.369174  
1 1 1 14 6  9  o 442.4779 2.420136  1964.243       15.07647  2178.254       30.15293  1750.233       30.15293  466.6611 3.230710  418.2947 3.604269  48.36633       4.840273  
1 1 1 14 6  10 o 248.9440 1.483019  620.0935       5.217677  594.1100       10.43535  646.0771       10.43535  243.7253 2.140803  254.1628 2.052888  -10.43748      2.966039  
1 1 1 14 6  11 o 324.5032 1.851022  1056.001       8.462644  1161.631       16.92529  950.3701       16.92529  340.7790 2.483324  308.2275 2.745584  32.55145       3.702043  
1 1 1 14 6  12 o 234.8397 1.475326  552.0827       4.893657  583.8652       9.787313  520.3001       9.787313  241.6066 2.025465  228.0728 2.145655  13.53372       2.950652  
1 1 1 14 6  13 o 147.6262 1.275858  217.9845       2.663636  216.6742       5.327272  219.2949       5.327272  147.1824 1.809752  148.0700 1.798903  -0.8876343     2.551716  
1 1 1 14 6  14 o 187.9183 1.430817  353.8395       3.792941  382.7535       7.585882  324.9255       7.585882  195.6115 1.939017  180.2250 2.104558  15.38647       2.861635  
1 1 1 14 6  15 o 296.5645 1.799860  880.0720       7.547763  896.1635       15.09553  863.9807       15.09553  299.2774 2.521996  293.8515 2.568564  5.425934       3.599720  
1 1 1 14 6  16 o 123.8076 1.693577  153.4188       2.963831  158.9700       5.927662  147.8675       5.927662  126.0495 2.351324  121.5657 2.438049  4.483757       3.387153  
1 1 1 14 6  17 o 101.0496 2.168146  103.7388       3.030541  128.5216       6.061082  78.95608       6.061082  113.3122 2.674505  88.78687 3.413276  24.52538       4.336292  
1 1 1 14 6  18 o 129.6982 2.130038  168.7906       3.897772  182.0993       7.795544  155.4820       7.795544  134.8288 2.890905  124.5675 3.129044  10.26127       4.260076  
1 1 1 14 6  19 o 76.11458 3.674018  59.32427       3.859652  74.06719       7.719304  44.58136       7.719304  85.79926 4.498467  66.42989 5.810113  19.36938       7.348036  
1 1 1 14 6  20 o 67.62646 4.468681  46.50166       4.259912  50.75680       8.519823  42.24651       8.519823  70.77253 6.019160  64.48040 6.606523  6.292130       8.937362  
1 1 1 14 6  21 o 73.70985 5.095896  55.80294       5.303447  52.23394       10.60689  59.37193       10.60689  71.28889 7.439375  76.13083 6.966228  -4.841942      10.19179  
1 1 1 14 6  22 o 81.81184 4.830252  68.69704       5.584582  65.77609       11.16916  71.61797       11.16916  80.02668 6.978401  83.59700 6.680362  -3.570320      9.660503  
1 1 1 14 6  23 o 57.24835 7.951046  38.59175       6.394632  16.76328       12.78926  60.42022       12.78926  38.87999 13.46706  75.61671 8.456640  -36.73672      15.90209  
1 1 1 14 6  24 o 66.61371 8.429647  52.43408       7.562057  36.63334       15.12411  68.23483       15.12411  54.32442 13.87022  78.90301 9.583992  -24.57859      16.85929  
1 1 1 14 7  0  o 614.6210 6.471278  3780.314       79.52789  3780.314       79.52789  3780.314       79.52789  614.6210 6.471278  614.6210 6.471278  0.000000       0.000000  
1 1 1 14 7  1  o 372.7428 2.035621  1389.970       10.72602  1343.454       21.45204  1436.486       21.45204  366.5031 2.926583  378.9825 2.830215  -12.47937      4.071241  
1 1 1 14 7  2  f 620.8695 3.306447  3857.354       29.01886  3723.439       58.03772  3991.271       58.03772  610.0850 4.756527  631.6541 4.594107  -21.56903      6.612894  
1 1 1 14 7  3  o 310.1323 1.724773  962.5305       7.557293  1011.820       15.11459  913.2411       15.11459  318.0788 2.375918  302.1858 2.500876  15.89301       3.449546  
1 1 1 14 7  4  o 134.1751 0.9466245 182.9141       1.753521  228.4628       3.507041  137.3655       3.507041  151.1487 1.160130  117.2015 1.496159  33.94720       1.893249  
1 1 1 14 7  5  o 533.3290 2.930232  2852.464       22.01431  3143.624       44.02862  2561.303       44.02862  560.6256 3.926740  506.0325 4.350375  54.59311       5.860465  
1 1 1 14 7  6  o 591.6884 3.120237  3502.395       26.10268  3593.574       52.20536  3411.217       52.20536  599.3933 4.354850  583.9834 4.469764  15.40991       6.240474  
1 1 1 14 7  7  o 872.3307 4.560609  7614.631       56.26038  7690.866       112.5208  7538.396       112.5208  876.7003 6.417287  867.9610 6.481901  8.739319       9.121218  
1 1 1 14 7  8  o 242.6188 1.461191  588.7446       5.012782  576.7559       10.02556  600.7333       10.02556  240.1481 2.087371  245.0895 2.045286  -4.941406      2.922381  
1 1 1 14 7  9  o 415.4207 2.299691  1726.332       13.50878  1694.206       27.01756  1758.457       27.01756  411.5541 3.282383  419.2874 3.221843  -7.733307      4.599381  
1 1 1 14 7  10 o 529.7550 2.838335  2809.883       21.24238  2957.484       42.48476  2662.283       42.48476  543.6860 3.907104  515.8240 4.118145  27.86200       5.676670  
1 1 1 14 7  11 o 466.6043 2.547702  2178.587       16.81093  2203.165       33.62185  2154.010       33.62185  469.2380 3.582601  463.9707 3.623274  5.267334       5.095404  
1 1 1 14 7  12 o 370.2317 2.122870  1371.649       11.11199  1334.382       22.22397  1408.916       22.22397  365.1988 3.042722  375.2646 2.961106  -10.06589      4.245740  
1 1 1 14 7  13 o 100.1831 1.389006  100.3938       1.967946  100.2270       3.935891  100.5606       3.935891  100.0998 1.965983  100.2663 1.962719  -0.1664810     2.778013  
1 1 1 14 7  14 o 174.3854 1.368041  304.2072       3.373621  300.2237       6.747242  308.1908       6.747242  173.2433 1.947332  175.5276 1.921989  -2.284317      2.736082  
1 1 1 14 7  15 o 200.6719 1.492984  403.5147       4.226557  370.8792       8.453114  436.1502       8.453114  192.5404 2.195153  208.8035 2.024179  -16.26311      2.985967  
1 1 1 14 7  16 o 288.1194 1.847972  831.4880       7.519173  882.4022       15.03835  780.5740       15.03835  296.9550 2.532092  279.2838 2.692306  17.67120       3.695944  
1 1 1 14 7  17 o 100.3752 2.230866  101.0562       3.159196  93.01284       6.318392  109.0995       6.318392  96.36858 3.278243  104.3818 3.026577  -8.013260      4.461731  
1 1 1 14 7  18 o 60.03254 3.603955  36.64763       3.006716  44.41935       6.013433  28.87591       6.013433  66.50546 4.521007  53.55962 5.613774  12.94584       7.207910  
1 1 1 14 7  19 o 37.81246 5.711776  14.63332       3.616637  29.68596       7.233273  -0.4193202     7.233273  54.12027 6.682591  21.50464 9.265016  32.61563       11.42355  
1 1 1 14 7  20 o 94.44644 3.512405  90.59221       4.645877  76.21144       9.291754  104.9730       9.291754  86.83325 5.350343  102.0596 4.552120  -15.22639      7.024810  
1 1 1 14 7  21 o 50.20050 7.463706  28.15163       5.479752  11.18822       10.95950  45.11504       10.95950  34.35363 12.40937  66.04737 8.296700  -31.69374      14.92741  
1 1 1 14 7  22 o 35.11387 8.450096  3.073427       6.813953  -21.50922      13.62791  27.65607       13.62791  21.01705 10.21738  49.21069 13.46186  -28.19365      16.90019  
1 1 1 14 7  23 o 43.70525 9.191681  21.57117       6.637648  33.09770       13.27530  10.04462       13.27530  53.37414 12.61929  34.03635 13.36793  19.33779       18.38336  
1 1 1 14 7  24 o 37.35857 14.39870  14.99070       15.24801  14.99070       15.24801  ?              ?         37.35857 14.39870  ?        ?         ?              ?         
1 1 1 14 8  0  o 32.31465 2.782170  10.67360       1.772581  10.67360       1.772581  10.67360       1.772581  32.31465 2.782170  32.31465 2.782170  0.000000       0.000000  
1 1 1 14 8  1  o 527.4594 2.790585  2783.071       20.81353  2833.470       41.62705  2732.671       41.62705  532.2369 3.910576  522.6818 3.982065  9.555115       5.581169  
1 1 1 14 8  2  o 264.4817 1.536869  701.6370       5.722767  777.9914       11.44553  625.2826       11.44553  278.9164 2.051786  250.0470 2.288677  28.86943       3.073738  
1 1 1 14 8  3  o 1113.811 5.738969  12416.31       90.39209  12248.25       180.7842  12584.37       180.7842  1106.266 8.170916  1121.355 8.060968  -15.08887      11.47794  
1 1 1 14 8  4  o 989.1777 5.133189  9790.746       71.80858  9801.704       143.6172  9779.785       143.6172  989.7318 7.255358  988.6238 7.263489  1.107971       10.26638  
1 1 1 14 8  5  o 170.6672 1.085870  291.2894       2.620751  288.3207       5.241503  294.2579       5.241503  169.7975 1.543457  171.5369 1.527806  -1.739410      2.171739  
1 1 1 14 8  6  o 779.1493 4.319618  6074.386       47.58807  5937.449       95.17615  6211.323       95.17615  770.3617 6.177368  787.9368 6.039580  -17.57513      8.639236  
1 1 1 14 8  7  o 614.3458 3.263104  3777.889       28.32317  3968.856       56.64635  3586.922       56.64635  629.8882 4.496540  598.8035 4.729961  31.08466       6.526209  
1 1 1 14 8  8  o 616.3907 3.266912  3801.152       28.47565  3856.707       56.95130  3745.596       56.95130  620.8973 4.586210  611.8843 4.653764  9.013000       6.533823  
1 1 1 14 8  9  o 245.2638 1.489843  604.0164       5.136672  680.0992       10.27334  527.9336       10.27334  260.7742 1.969778  229.7534 2.235733  31.02081       2.979686  
1 1 1 14 8  10 o 291.1468 1.674080  848.0560       6.890193  820.5333       13.78039  875.5786       13.78039  286.4202 2.405624  295.8734 2.328764  -9.453186      3.348160  
1 1 1 14 8  11 o 148.3684 1.166409  220.6244       2.439681  200.4064       4.879362  240.8423       4.879362  141.5550 1.723486  155.1819 1.572143  -13.62683      2.332818  
1 1 1 14 8  12 o 160.4107 1.291137  259.8022       2.887591  209.6982       5.775182  309.9062       5.775182  144.7933 1.994285  176.0281 1.640415  -31.23483      2.582273  
1 1 1 14 8  13 o 159.5202 1.280883  254.6465       2.887591  243.6441       5.775182  265.6489       5.775182  156.0716 1.850171  162.9688 1.771868  -6.897202      2.561767  
1 1 1 14 8  14 o 186.4761 1.403350  348.0453       3.697641  331.2629       7.395282  364.8276       7.395282  181.9762 2.031937  190.9759 1.936182  -8.999725      2.806701  
1 1 1 14 8  15 o 406.2627 2.332880  1652.541       13.39919  1604.853       26.79837  1700.229       26.79837  400.3936 3.346503  412.1319 3.251189  -11.73828      4.665760  
1 1 1 14 8  16 o 161.3689 1.534686  260.5360       3.502276  259.2447       7.004553  261.8273       7.004553  160.9688 2.175748  161.7690 2.164986  -0.8002167     3.069372  
1 1 1 14 8  17 o 108.0735 2.146244  117.9147       3.240201  139.0523       6.480402  96.77718       6.480402  117.8527 2.749365  98.29425 3.296430  19.55849       4.292489  
1 1 1 14 8  18 o 175.7602 1.927743  309.9300       4.779297  335.5514       9.558595  284.3086       9.558595  183.0490 2.610939  168.4715 2.836859  14.57748       3.855486  
1 1 1 14 8  19 o 103.2334 2.768423  107.1601       4.035956  113.7406       8.071913  100.5797       8.071913  106.4206 3.792459  100.0462 4.034093  6.374359       5.536846  
1 1 1 14 8  20 o 110.3415 3.044580  122.8513       4.736412  133.8584       9.472824  111.8441       9.472824  115.3292 4.106862  105.3537 4.495725  9.975548       6.089159  
1 1 1 14 8  21 o 94.46259 3.885274  91.08778       5.141437  105.2589       10.28287  76.91666       10.28287  101.9635 5.042429  86.96167 5.912303  15.00182       7.770548  
1 1 1 14 8  22 o 87.56387 5.321044  79.30869       6.585233  82.40594       13.17047  76.21144       13.17047  89.33244 7.371603  85.79531 7.675516  3.537132       10.64209  
1 1 1 14 8  23 o 53.23503 8.616400  32.76892       6.389868  38.83476       12.77974  26.70307       12.77974  58.73083 11.28245  47.73923 13.02597  10.99160       17.23280  
1 1 1 14 8  24 o 41.25086 14.88002  20.49904       15.75310  20.49904       15.75310  ?              ?         41.25086 14.88002  ?        ?         ?              ?         
1 1 1 14 9  0  o 968.5745 10.02413  9391.257       194.1357  9391.257       194.1357  9391.257       194.1357  968.5745 10.02413  968.5745 10.02413  0.000000       0.000000  
1 1 1 14 9  1  o 430.4523 2.352231  1853.214       14.31883  1869.310       28.63766  1837.118       28.63766  432.3220 3.312076  428.5826 3.340974  3.739380       4.704461  
1 1 1 14 9  2  o 213.4482 1.345017  456.7159       4.045487  501.3640       8.090974  412.0678       8.090974  223.9070 1.806771  202.9895 1.992954  20.91753       2.690035  
1 1 1 14 9  3  o 1294.081 7.004545  16766.42       128.1785  17032.60       256.3571  16500.25       256.3571  1304.366 9.826889  1283.797 9.984331  20.56848       14.00909  
1 1 1 14 9  4  o 678.2546 3.563943  4601.838       34.18413  4559.183       68.36826  4644.495       68.36826  675.1101 5.063489  681.3992 5.016755  -6.289124      7.127886  
1 1 1 14 9  5  o 905.7423 4.706756  8208.560       60.28680  8119.830       120.5736  8297.289       120.5736  900.8442 6.692256  910.6404 6.620265  -9.796204      9.413511  
1 1 1 14 9  6  o 756.6318 4.001473  5728.600       42.80401  5563.778       85.60802  5893.421       85.60802  745.7400 5.739804  767.5236 5.576899  -21.78357      8.002946  
1 1 1 14 9  7  o 452.5599 2.413391  2048.727       15.44337  2004.312       30.88674  2093.141       30.88674  447.6529 3.449854  457.4669 3.375844  -9.814087      4.826782  
1 1 1 14 9  8  o 320.2036 1.809552  1026.515       8.181508  1092.710       16.36302  960.3195       16.36302  330.5400 2.475194  309.8672 2.640328  20.67288       3.619104  
1 1 1 14 9  9  o 536.5407 2.869402  2880.196       21.77129  2844.640       43.54259  2915.752       43.54259  533.2272 4.082930  539.8542 4.032810  -6.626953      5.738804  
1 1 1 14 9  10 o 123.5313 1.114221  153.4902       1.929826  130.3609       3.859652  176.6196       3.859652  114.1695 1.690316  132.8930 1.452165  -18.72346      2.228441  
1 1 1 14 9  11 o 129.5556 1.219895  167.8853       2.234786  164.7261       4.469572  171.0445       4.469572  128.3363 1.741351  130.7748 1.708881  -2.438477      2.439791  
1 1 1 14 9  12 o 162.8308 1.201094  265.3201       2.763701  277.3898       5.527402  253.2503       5.527402  166.5370 1.659512  159.1246 1.736816  7.412445       2.402189  
1 1 1 14 9  13 o 142.9973 1.316613  204.7235       2.658871  192.2773       5.317742  217.1697       5.317742  138.6454 1.917750  147.3492 1.804470  -8.703796      2.633225  
1 1 1 14 9  14 o 215.2013 1.473292  463.6013       4.479102  488.1554       8.958203  439.0473       8.958203  220.9062 2.027603  209.4964 2.138033  11.40981       2.946584  
1 1 1 14 9  15 o 113.2736 1.753018  130.4848       2.739876  97.64442       5.479752  163.3252       5.479752  98.77750 2.773786  127.7696 2.144388  -28.99212      3.506036  
1 1 1 14 9  16 o 161.8634 1.586067  262.5992       3.621402  284.2133       7.242803  240.9852       7.242803  168.5401 2.148689  155.1868 2.333576  13.35327       3.172135  
1 1 1 14 9  17 o 221.9137 1.795247  493.0634       5.632232  478.4824       11.26446  507.6442       11.26446  218.6284 2.576166  225.1990 2.501003  -6.570541      3.590494  
1 1 1 14 9  18 o 118.1155 2.332289  139.9005       3.893007  146.0759       7.786013  133.7250       7.786013  120.7297 3.224565  115.5013 3.370529  5.228317       4.664578  
1 1 1 14 9  19 o 115.7711 2.430469  134.5160       3.978776  136.9938       7.957553  132.0382       7.957553  116.8412 3.405285  114.7010 3.468826  2.140251       4.860939  
1 1 1 14 9  20 o 150.3239 2.360456  227.0809       5.012782  239.0887       10.02556  215.0731       10.02556  154.3178 3.248349  146.3299 3.425672  7.987946       4.720911  
1 1 1 14 9  21 o 99.22215 3.839865  100.7417       5.312977  119.7826       10.62595  81.70072       10.62595  108.8173 4.882476  89.62703 5.927874  19.19024       7.679731  
1 1 1 14 9  22 o 62.13896 7.770861  43.57118       6.432753  60.69660       12.86551  26.44576       12.86551  76.22353 8.439327  48.05440 13.05078  28.16912       15.54172  
1 1 1 14 9  23 o 38.47337 8.798292  13.68509       6.513757  29.48583       13.02751  -2.115661      13.02751  50.12758 12.91705  26.81916 11.94946  23.30842       17.59658  
1 1 1 14 9  24 o 32.11749 14.00767  4.059782       16.92529  4.059782       16.92529  ?              ?         32.11749 14.00767  ?        ?         ?              ?         
1 1 1 14 10 0  o 518.5687 5.576268  2690.587       57.81853  2690.587       57.81853  2690.587       57.81853  518.5687 5.576268  518.5687 5.576268  0.000000       0.000000  
1 1 1 14 10 1  f 339.0278 1.864461  1149.509       8.939144  1141.609       17.87829  1157.409       17.87829  337.8627 2.645792  340.1930 2.627669  -2.330322      3.728922  
1 1 1 14 10 2  o 504.8986 2.734097  2549.681       19.52221  2562.370       39.04443  2536.992       39.04443  506.1552 3.856962  503.6420 3.876209  2.513245       5.468194  
1 1 1 14 10 3  o 769.0153 4.082325  5919.733       44.35740  6209.617       88.71481  5629.850       88.71481  787.8630 5.630092  750.1675 5.913000  37.69543       8.164649  
1 1 1 14 10 4  f 668.0970 3.530262  4467.957       33.32166  4698.587       66.64332  4237.326       66.64332  685.3574 4.861939  650.8367 5.119819  34.52063       7.060524  
1 1 1 14 10 5  o 316.0185 1.741118  999.5782       7.771719  942.1457       15.54344  1057.011       15.54344  306.9316 2.532068  325.1054 2.390522  -18.17383      3.482236  
1 1 1 14 10 6  f 278.8636 1.687066  781.5460       6.604293  672.3703       13.20859  890.7217       13.20859  259.2885 2.547083  298.4387 2.212948  -39.15024      3.374133  
1 1 1 14 10 7  o 279.3895 1.599858  783.6426       6.285037  686.9894       12.57007  880.2960       12.57007  262.0923 2.398025  296.6868 2.118408  -34.59448      3.199715  
1 1 1 14 10 8  o 507.6890 2.726464  2578.428       19.57463  2550.582       39.14925  2606.275       39.14925  504.9465 3.876574  510.4315 3.834918  -5.484985      5.452928  
1 1 1 14 10 9  o 287.2618 1.689739  826.7230       6.847308  894.3051       13.69462  759.1411       13.69462  299.0250 2.289878  275.4987 2.485423  23.52625       3.379478  
1 1 1 14 10 10 o 77.97955 1.313650  60.95390       1.443795  66.72909       2.887591  55.17872       2.887591  81.68256 1.767569  74.27654 1.943811  7.406013       2.627299  
1 1 1 14 10 11 o 281.4953 1.681379  792.8867       6.690063  763.6678       13.38013  822.1058       13.38013  276.3053 2.421257  286.6852 2.333591  -10.37994      3.362757  
1 1 1 14 10 12 o 124.3127 1.277083  154.6053       2.244316  159.5323       4.488632  149.6782       4.488632  126.2944 1.777051  122.3310 1.834626  3.963394       2.554166  
1 1 1 14 10 13 o 129.4494 1.344677  167.9663       2.453976  152.6421       4.907952  183.2906       4.907952  123.5303 1.986537  135.3684 1.812813  -11.83804      2.689353  
1 1 1 14 10 14 o 374.0340 2.154402  1400.282       11.39312  1436.686       22.78624  1363.877       22.78624  378.9005 3.006890  369.1675 3.086165  9.732971       4.308805  
1 1 1 14 10 15 o 408.2495 2.375125  1668.875       13.70891  1622.864       27.41782  1714.886       27.41782  402.6143 3.404974  413.8846 3.312255  -11.27026      4.750250  
1 1 1 14 10 16 o 158.3468 1.782470  252.2735       3.959717  215.6259       7.919433  288.9211       7.919433  146.7748 2.697817  169.9187 2.330359  -23.14389      3.564939  
1 1 1 14 10 17 o 169.3647 1.781304  287.2200       4.264677  297.0121       8.529353  277.4279       8.529353  172.2555 2.475786  166.4738 2.561770  5.781647       3.562609  
1 1 1 14 10 18 o 67.63536 3.715249  46.33011       3.516572  38.68229       7.033143  53.97794       7.033143  61.98164 5.673570  73.28908 4.798221  -11.30744      7.430499  
1 1 1 14 10 19 o 155.8041 2.317097  244.0872       5.089022  221.5535       10.17804  266.6209       10.17804  148.5727 3.425274  163.0355 3.121419  -14.46283      4.634195  
1 1 1 14 10 20 o 155.2321 2.623649  242.5862       5.746593  223.7835       11.49319  261.3889       11.49319  149.1758 3.852229  161.2884 3.562929  -12.11264      5.247297  
1 1 1 14 10 21 o 55.58226 7.240596  34.74163       5.413042  17.34461       10.82608  52.13865       10.82608  39.95581 12.32557  71.20870 7.601659  -31.25289      14.48119  
1 1 1 14 10 22 o 59.98462 7.274081  42.83260       5.779948  13.96145       11.55990  71.70376       11.55990  36.58305 12.79073  83.38618 6.931541  -46.80313      14.54816  
1 1 1 14 10 23 o 71.63194 7.597038  57.17525       7.404812  66.85297       14.80962  47.49754       14.80962  78.85779 9.390084  64.40611 11.94514  14.45168       15.19408  
1 1 1 14 10 24 o 77.33058 7.160259  67.13888       7.719304  55.46462       15.43861  78.81313       15.43861  69.78230 11.06198  84.87886 9.094495  -15.09656      14.32052  
1 1 1 14 11 0  o 36.15070 2.746682  13.29436       1.963181  13.29436       1.963181  13.29436       1.963181  36.15070 2.746682  36.15070 2.746682  0.000000       0.000000  
1 1 1 14 11 1  o 835.6339 4.367910  6989.695       51.57638  6664.217       103.1528  7315.174       103.1528  816.1589 6.319405  855.1088 6.031558  -38.94989      8.735821  
1 1 1 14 11 2  o 565.9071 3.030097  3206.246       24.21574  3403.660       48.43148  3008.832       48.43148  583.3494 4.151156  548.4648 4.415186  34.88452       6.060194  
1 1 1 14 11 3  f 772.9936 4.100925  5977.875       44.82914  5925.747       89.65828  6030.005       89.65828  769.6217 5.824828  776.3655 5.774231  -6.743774      8.201851  
1 1 1 14 11 4  o 121.0956 1.291226  147.2957       2.196666  166.7941       4.393332  127.7973       4.393332  129.1464 1.700911  113.0448 1.943182  16.10164       2.582451  
1 1 1 14 11 5  o 463.5663 2.471587  2150.326       16.19147  2245.031       32.38295  2055.622       32.38295  473.7811 3.417501  453.3516 3.571505  20.42947       4.943174  
1 1 1 14 11 6  o 311.2000 1.759456  969.3682       7.733598  1025.714       15.46720  913.0220       15.46720  320.2530 2.414840  302.1469 2.559549  18.10608       3.518912  
1 1 1 14 11 7  o 233.0735 1.444735  544.1395       4.750707  500.7827       9.501413  587.4962       9.501413  223.7724 2.123008  242.3746 1.960068  -18.60217      2.889469  
1 1 1 14 11 8  o 522.2887 2.794734  2729.355       20.63722  2656.917       41.27445  2801.792       41.27445  515.3541 4.004475  529.2233 3.899530  -13.86926      5.589468  
1 1 1 14 11 9  o 616.0116 3.281744  3798.236       28.58048  3909.122       57.16096  3687.349       57.16096  625.0120 4.572790  607.0112 4.708395  18.00079       6.563488  
1 1 1 14 11 10 o 511.3303 2.791720  2617.530       20.17502  2510.222       40.35004  2724.838       40.35004  500.8372 4.028258  521.8232 3.866255  -20.98599      5.583439  
1 1 1 14 11 11 o 77.48859 1.540493  60.09143       1.686811  62.85991       3.373621  57.32297       3.373621  79.27496 2.127798  75.70222 2.228218  3.572739       3.080987  
1 1 1 14 11 12 o 336.7924 1.920074  1134.904       9.144039  1113.657       18.28808  1156.151       18.28808  333.6380 2.740707  339.9467 2.689845  -6.308685      3.840148  
1 1 1 14 11 13 o 167.8550 1.357286  282.4360       3.211612  308.5339       6.423223  256.3381       6.423223  175.6290 1.828634  160.0811 2.006241  15.54790       2.714573  
1 1 1 14 11 14 o 218.2032 1.548975  477.9345       4.755473  422.2745       9.510944  533.5944       9.510944  205.4491 2.314672  230.9574 2.059026  -25.50832      3.097950  
1 1 1 14 11 15 o 63.94920 2.660753  40.95043       2.406326  40.90278       4.812652  40.99808       4.812652  63.91195 3.765065  63.98646 3.760680  -0.7451630E-01 5.321506  
1 1 1 14 11 16 o 133.7462 1.862117  179.0640       3.521337  183.4049       7.042673  174.7231       7.042673  135.3690 2.601287  132.1234 2.665188  3.245636       3.724234  
1 1 1 14 11 17 o 142.2687 1.874254  202.7079       3.769116  195.3841       7.538233  210.0318       7.538233  139.6947 2.698109  144.8426 2.602215  -5.147888      3.748508  
1 1 1 14 11 18 o 158.9490 2.122198  253.3599       4.765002  267.2975       9.530005  239.4223       9.530005  163.3333 2.917349  154.5647 3.082853  8.768616       4.244397  
1 1 1 14 11 19 o 148.8042 2.253417  222.2159       4.741177  217.1411       9.482354  227.2906       9.482354  147.0990 3.223120  150.5093 3.150089  -3.410339      4.506835  
1 1 1 14 11 20 o 34.56805 7.515727  11.10246       4.598227  20.79447       9.196454  1.410441       9.196454  43.80481 10.59707  25.33128 10.66053  18.47353       15.03145  
1 1 1 14 11 21 o 78.05386 4.442284  62.27381       4.884127  68.54932       9.768253  55.99829       9.768253  82.07385 5.950893  74.03388 6.597151  8.039970       8.884567  
1 1 1 14 11 22 o 40.22120 9.105665  16.38207       6.556643  28.80920       13.11329  3.954952       13.11329  50.02887 12.99235  30.41353 12.76133  19.61535       18.21133  
1 1 1 14 11 23 o 43.11617 9.570736  21.73317       6.799657  29.90515       13.59931  13.56120       13.59931  49.90485 13.35730  36.32748 13.71052  13.57737       19.14147  
1 1 1 14 11 24 o 56.58891 8.605149  40.05937       7.109383  59.51488       14.21877  20.60387       14.21877  72.86152 9.757391  40.31631 14.17701  32.54521       17.21030  
1 1 1 14 12 0  o 145.0780 2.300403  210.6417       6.671002  210.6417       6.671002  210.6417       6.671002  145.0780 2.300403  145.0780 2.300403  0.000000       0.000000  
1 1 1 14 12 1  o 301.3519 1.715923  908.4715       7.309513  940.1540       14.61903  876.7889       14.61903  306.6086 2.383989  296.0951 2.468637  10.51346       3.431846  
1 1 1 14 12 2  o 580.7922 3.073025  3374.060       25.24022  3349.215       50.48043  3398.905       50.48043  578.6533 4.361889  582.9311 4.329880  -4.277771      6.146050  
1 1 1 14 12 3  o 401.0651 2.219334  1609.846       12.57484  1525.296       25.14968  1694.397       25.14968  390.5244 3.219989  411.6058 3.055069  -21.08142      4.438668  
1 1 1 14 12 4  o 1232.969 6.376326  15223.37       111.1198  14632.37       222.2397  15814.38       222.2397  1209.003 9.191034  1256.936 8.840533  -47.93335      12.75265  
1 1 1 14 12 5  o 575.7106 3.101655  3323.160       25.16397  3001.608       50.32795  3644.712       50.32795  547.7841 4.593776  603.6371 4.168726  -55.85303      6.203310  
1 1 1 14 12 6  o 779.3762 4.062392  6080.872       44.73861  5794.700       89.47721  6367.043       89.47721  761.0172 5.878791  797.7352 5.608203  -36.71802      8.124784  
1 1 1 14 12 7  o 290.1898 1.769190  844.6967       7.228508  753.2134       14.45702  936.1799       14.45702  274.4272 2.634035  305.9525 2.362624  -31.52533      3.538380  
1 1 1 14 12 8  o 252.5768 1.486085  638.0290       5.308212  634.8984       10.61642  641.1596       10.61642  251.9571 2.106792  253.1966 2.096479  -1.239487      2.972170  
1 1 1 14 12 9  o 375.7144 2.092821  1412.728       11.11199  1350.811       22.22397  1474.644       22.22397  367.4746 3.023878  383.9543 2.894091  -16.47968      4.185642  
1 1 1 14 12 10 o 239.8809 1.581896  576.3222       5.355862  618.1160       10.71172  534.5284       10.71172  248.5923 2.154476  231.1696 2.316854  17.42273       3.163792  
1 1 1 14 12 11 o 97.90807 1.310169  96.67236       1.791641  114.1313       3.583282  79.21339       3.583282  106.8241 1.677188  88.99207 2.013259  17.83200       2.620338  
1 1 1 14 12 12 o 261.5788 1.651101  684.7784       6.103968  713.1016       12.20794  656.4553       12.20794  266.9927 2.286193  256.1649 2.382828  10.82776       3.302203  
1 1 1 14 12 13 o 306.7347 1.818586  941.9503       7.881313  894.5624       15.76263  989.3383       15.76263  299.0101 2.635801  314.4593 2.506306  -15.44916      3.637172  
1 1 1 14 12 14 o 131.6150 1.432449  173.6033       2.658871  188.4844       5.317742  158.7222       5.317742  137.2682 1.936989  125.9617 2.110857  11.30654       2.864898  
1 1 1 14 12 15 o 184.5975 1.538183  341.6459       4.002602  373.3093       8.005203  309.9824       8.005203  193.1739 2.072020  176.0212 2.273932  17.15269       3.076367  
1 1 1 14 12 16 o 235.9639 1.747564  557.7769       5.822832  593.2046       11.64566  522.3491       11.64566  243.4710 2.391592  228.4569 2.548766  15.01407       3.495128  
1 1 1 14 12 17 o 103.9335 2.198984  108.2418       3.230671  104.4584       6.461343  112.0252       6.461343  102.1134 3.163809  105.7536 3.054905  -3.640228      4.397969  
1 1 1 14 12 18 o 52.73116 4.561676  28.19928       3.383151  24.83519       6.766303  31.56337       6.766303  49.54131 6.828950  55.92102 6.049875  -6.379704      9.123351  
1 1 1 14 12 19 o 95.82039 2.908375  92.44103       3.935891  97.92079       7.871783  86.96129       7.871783  98.67977 3.988549  92.96100 4.233917  5.718773       5.816750  
1 1 1 14 12 20 o 78.35704 4.114585  63.26016       4.445747  47.34506       8.891494  79.17527       8.891494  68.20153 6.518544  88.51254 5.022731  -20.31101      8.229170  
1 1 1 14 12 21 o 112.5605 3.401134  128.7170       5.379687  112.2063       10.75937  145.2277       10.75937  105.2263 5.112492  119.8946 4.487012  -14.66832      6.802268  
1 1 1 14 12 22 o 69.76637 7.066568  53.73493       6.461343  71.33208       12.92269  36.13778       12.92269  82.81452 7.802186  56.71822 11.78437  26.09630       14.13314  
1 1 1 14 12 23 o 45.86430 10.26089  25.49276       7.628768  31.78257       15.25754  19.20296       15.25754  50.86095 14.36699  40.86765 14.65377  9.993301       20.52178  
1 1 1 14 12 24 o 28.17735 12.59577  1.467621       14.58090  1.467621       14.58090  ?              ?         28.17735 12.59577  ?        ?         ?              ?         
1 1 1 14 13 0  o 638.1355 6.316290  4074.420       80.59525  4074.420       80.59525  4074.420       80.59525  638.1355 6.316290  638.1355 6.316290  0.000000       0.000000  
1 1 1 14 13 1  o 200.5995 1.382091  403.0239       3.912067  371.8893       7.824133  434.1584       7.824133  192.8392 2.028668  208.3599 1.877552  -15.52075      2.764181  
1 1 1 14 13 2  o 407.4675 2.223189  1660.741       12.80832  1621.301       25.61665  1700.181       25.61665  402.6278 3.181182  412.3071 3.106501  -9.679260      4.446377  
1 1 1 14 13 3  o 774.2409 4.094288  5997.083       44.82914  5952.183       89.65828  6041.984       89.65828  771.3412 5.811843  777.1406 5.768472  -5.799316      8.188577  
1 1 1 14 13 4  o 624.1173 3.296176  3897.495       29.08080  3766.162       58.16161  4028.828       58.16161  613.5958 4.739408  634.6388 4.582261  -21.04303      6.592352  
1 1 1 14 13 5  o 1189.498 6.161644  14167.16       103.6388  13912.28       207.2776  14422.04       207.2776  1178.784 8.792009  1200.211 8.635045  -21.42749      12.32329  
1 1 1 14 13 6  o 286.4590 1.624612  820.7524       6.580468  803.6937       13.16094  837.8112       13.16094  283.4814 2.321305  289.4365 2.273545  -5.955017      3.249225  
1 1 1 14 13 7  o 411.2047 2.238176  1691.909       13.00846  1626.791       26.01691  1757.028       26.01691  403.2867 3.225610  419.1227 3.103734  -15.83603      4.476352  
1 1 1 14 13 8  o 490.4770 2.684912  2406.903       18.62163  2447.353       37.24326  2366.452       37.24326  494.6006 3.764983  486.3535 3.828826  8.247131       5.369823  
1 1 1 14 13 9  o 175.8247 1.241015  309.3726       3.082956  324.7825       6.165912  293.9625       6.165912  180.2069 1.710787  171.4425 1.798245  8.764404       2.482031  
1 1 1 14 13 10 o 291.2196 1.712540  848.3944       7.052203  863.4851       14.10441  833.3035       14.10441  293.8105 2.400255  288.6286 2.443348  5.181915       3.425081  
1 1 1 14 13 11 o 109.5085 1.287026  120.1924       1.987006  109.2710       3.974012  131.1138       3.974012  104.5220 1.901041  114.4951 1.735451  -9.973099      2.574053  
1 1 1 14 13 12 o 170.0748 1.345211  289.3357       3.235436  291.8659       6.470873  286.8055       6.470873  170.8186 1.894077  169.3309 1.910718  1.487701       2.690423  
1 1 1 14 13 13 o 190.4707 1.455550  363.4505       3.912067  335.5419       7.824133  391.3592       7.824133  183.1445 2.136055  197.7969 1.977820  -14.65245      2.911100  
1 1 1 14 13 14 o 147.6907 1.480683  218.2180       3.092486  220.7816       6.184973  215.6544       6.184973  148.5586 2.081661  146.8228 2.106271  1.735764       2.961366  
1 1 1 14 13 15 o 120.2944 1.760167  145.6280       2.968596  167.6137       5.937192  123.6423       5.937192  129.4327 2.293545  111.1561 2.670656  18.27659       3.520334  
1 1 1 14 13 16 o 163.2199 1.711039  267.4405       3.931127  297.1836       7.862253  237.6974       7.862253  172.3313 2.281145  154.1086 2.550881  18.22275       3.422078  
1 1 1 14 13 17 o 65.10303 3.514905  42.59435       3.235436  43.62836       6.470873  41.56035       6.470873  65.89716 4.909827  64.30889 5.031087  1.588264       7.029811  
1 1 1 14 13 18 o 64.94564 3.738870  42.54193       3.430801  40.42628       6.861602  44.65760       6.861602  63.31684 5.418466  66.57443 5.153332  -3.257587      7.477740  
1 1 1 14 13 19 o 161.3528 2.109673  261.2126       4.812652  268.3459       9.625304  254.0795       9.625304  163.5633 2.942379  159.1424 3.024117  4.420883       4.219346  
1 1 1 14 13 20 o 19.86638 6.590679  -9.015384      4.707822  -8.577003      9.415645  -9.453763      9.415645  20.05010 9.389833  19.68266 9.250904  0.3674450      13.18136  
1 1 1 14 13 21 o 54.71404 7.079516  32.25430       5.308212  38.40591       10.61642  26.10268       10.61642  60.77099 8.734780  48.65709 11.14369  12.11390       14.15903  
1 1 1 14 13 22 o 71.28566 6.409896  53.64440       6.461343  54.49256       12.92269  52.79622       12.92269  71.88057 8.988998  70.69075 9.140295  1.189819       12.81979  
1 1 1 14 13 23 o 86.75723 5.667917  79.73278       6.952137  81.82461       13.90427  77.64095       13.90427  87.96280 7.903498  85.55167 8.126245  2.411133       11.33583  
1 1 1 14 13 24 o 69.81163 8.423074  62.52159       8.043323  70.77934       16.08665  54.26384       16.08665  76.26882 10.54602  63.35443 13.13675  12.91439       16.84615  
1 1 1 14 14 0  o 419.8064 6.447067  1763.851       54.10183  1763.851       54.10183  1763.851       54.10183  419.8064 6.447067  419.8064 6.447067  0.000000       0.000000  
1 1 1 14 14 1  o 97.67719 1.904157  95.51923       3.716702  95.51923       3.716702  95.51923       3.716702  97.67719 1.904157  97.67719 1.904157  0.000000       0.000000  
1 1 1 14 14 2  o 1378.784 14.22461  19040.66       392.1596  19040.66       392.1596  19040.66       392.1596  1378.784 14.22461  1378.784 14.22461  0.000000       0.000000  
1 1 1 14 14 3  o 554.8050 5.937112  3079.878       65.86185  3079.878       65.86185  3079.878       65.86185  554.8050 5.937112  554.8050 5.937112  0.000000       0.000000  
1 1 1 14 14 4  o 368.1566 4.096262  1356.072       30.15293  1356.072       30.15293  1356.072       30.15293  368.1566 4.096262  368.1566 4.096262  0.000000       0.000000  
1 1 1 14 14 5  o 1024.709 10.66528  10513.40       218.5230  10513.40       218.5230  10513.40       218.5230  1024.709 10.66528  1024.709 10.66528  0.000000       0.000000  
1 1 1 14 14 6  o 602.0016 6.458941  3626.881       77.74577  3626.881       77.74577  3626.881       77.74577  602.0016 6.458941  602.0016 6.458941  0.000000       0.000000  
1 1 1 14 14 7  o 505.8736 5.500477  2560.950       55.63616  2560.950       55.63616  2560.950       55.63616  505.8736 5.500477  505.8736 5.500477  0.000000       0.000000  
1 1 1 14 14 8  o 687.5908 7.349066  4733.706       101.0371  4733.706       101.0371  4733.706       101.0371  687.5908 7.349066  687.5908 7.349066  0.000000       0.000000  
1 1 1 14 14 9  o 179.7088 2.533322  323.1910       9.101154  323.1910       9.101154  323.1910       9.101154  179.7088 2.533322  179.7088 2.533322  0.000000       0.000000  
1 1 1 14 14 10 o 146.3255 2.430804  214.3203       7.109383  214.3203       7.109383  214.3203       7.109383  146.3255 2.430804  146.3255 2.430804  0.000000       0.000000  
1 1 1 14 14 11 o 146.4180 2.589043  214.6252       7.576353  214.6252       7.576353  214.6252       7.576353  146.4180 2.589043  146.4180 2.589043  0.000000       0.000000  
1 1 1 14 14 12 f 208.0842 2.971408  433.3960       12.36041  433.3960       12.36041  433.3960       12.36041  208.0842 2.971408  208.0842 2.971408  0.000000       0.000000  
1 1 1 14 14 13 o 274.2797 3.348855  752.9656       18.36432  752.9656       18.36432  752.9656       18.36432  274.2797 3.348855  274.2797 3.348855  0.000000       0.000000  
1 1 1 14 14 14 o 334.1953 3.989276  1118.203       26.65542  1118.203       26.65542  1118.203       26.65542  334.1953 3.989276  334.1953 3.989276  -0.000000      0.000000  
1 1 1 14 14 15 o 201.2945 3.176156  405.7208       12.77974  405.7208       12.77974  405.7208       12.77974  201.2945 3.176156  201.2945 3.176156  0.000000       0.000000  
1 1 1 14 14 16 o 120.7565 3.613740  146.3523       8.710423  146.3523       8.710423  146.3523       8.710423  120.7565 3.613740  120.7565 3.613740  0.000000       0.000000  
1 1 1 14 14 17 o 49.64816 9.711878  27.41782       8.605594  27.41782       8.605594  27.41782       8.605594  49.64816 9.711878  49.64816 9.711878  0.000000       0.000000  
1 1 1 14 14 18 o 32.94696 13.62506  15.55297       8.872433  15.55297       8.872433  15.55297       8.872433  32.94696 13.62506  32.94696 13.62506  0.000000       0.000000  
1 1 1 14 14 19 o 81.21152 7.409059  68.22530       11.84580  68.22530       11.84580  68.22530       11.84580  81.21152 7.409059  81.21152 7.409059  0.000000       0.000000  
1 1 1 14 14 20 o 56.61328 13.47119  38.08190       13.22765  38.08190       13.22765  38.08190       13.22765  56.61328 13.47119  56.61328 13.47119  0.000000       0.000000  
1 1 1 14 14 21 o 137.5213 6.682836  192.6871       18.28808  192.6871       18.28808  192.6871       18.28808  137.5213 6.682836  137.5213 6.682836  0.000000       0.000000  
1 1 1 14 14 22 o 133.0522 6.922925  181.5942       18.31667  181.5942       18.31667  181.5942       18.31667  133.0522 6.922925  133.0522 6.922925  0.000000       0.000000  
1 1 1 14 14 23 o 79.47851 12.88577  71.60845       19.12672  71.60845       19.12672  71.60845       19.12672  79.47851 12.88577  79.47851 12.88577  0.000000       0.000000  
1 1 1 15 0  1  o 46.24723 1.455942  21.45204       1.343731  21.45204       1.343731  21.45204       1.343731  46.24723 1.455942  46.24723 1.455942  0.000000       0.000000  
1 1 1 15 0  2  o 171.9916 2.020309  295.9447       6.947372  295.9447       6.947372  295.9447       6.947372  171.9916 2.020309  171.9916 2.020309  0.000000       0.000000  
1 1 1 15 0  3  o 427.3977 5.883528  1828.245       50.27077  1828.245       50.27077  1828.245       50.27077  427.3977 5.883528  427.3977 5.883528  0.000000       0.000000  
1 1 1 15 0  4  o 169.1637 2.344585  286.3385       7.928963  286.3385       7.928963  286.3385       7.928963  169.1637 2.344585  169.1637 2.344585  0.000000       0.000000  
1 1 1 15 0  5  o 196.7003 3.114618  387.2231       12.24605  387.2231       12.24605  387.2231       12.24605  196.7003 3.114618  196.7003 3.114618  0.000000       0.000000  
1 1 1 15 0  6  o 368.0475 4.167447  1355.262       30.66755  1355.262       30.66755  1355.262       30.66755  368.0475 4.167447  368.0475 4.167447  0.000000       0.000000  
1 1 1 15 0  7  o 109.6166 1.974957  120.2782       4.326622  120.2782       4.326622  120.2782       4.326622  109.6166 1.974957  109.6166 1.974957  0.000000       0.000000  
1 1 1 15 0  8  o 324.3766 3.641143  1052.713       23.61535  1052.713       23.61535  1052.713       23.61535  324.3766 3.641143  324.3766 3.641143  0.000000       0.000000  
1 1 1 15 0  9  f 541.2552 5.744930  2931.667       62.17375  2931.667       62.17375  2931.667       62.17375  541.2552 5.744930  541.2552 5.744930  0.000000       0.000000  
1 1 1 15 0  10 o 64.81790 2.700740  42.23698       3.487981  42.23698       3.487981  42.23698       3.487981  64.81790 2.700740  64.81790 2.700740  0.000000       0.000000  
1 1 1 15 0  11 o 183.6567 2.504751  337.5337       9.196454  337.5337       9.196454  337.5337       9.196454  183.6567 2.504751  183.6567 2.504751  0.000000       0.000000  
1 1 1 15 0  12 o 387.9235 4.300360  1506.131       33.35501  1506.131       33.35501  1506.131       33.35501  387.9235 4.300360  387.9235 4.300360  0.000000       0.000000  
1 1 1 15 0  13 o 138.4848 2.520540  192.0105       6.975962  192.0105       6.975962  192.0105       6.975962  138.4848 2.520540  138.4848 2.520540  0.000000       0.000000  
1 1 1 15 0  14 o 175.2761 2.654687  307.5142       9.301284  307.5142       9.301284  307.5142       9.301284  175.2761 2.654687  175.2761 2.654687  0.000000       0.000000  
1 1 1 15 0  15 o 94.05235 3.941367  88.98164       7.385753  88.98164       7.385753  88.98164       7.385753  94.05235 3.941367  94.05235 3.941367  0.000000       0.000000  
1 1 1 15 0  16 o 29.87961 12.26433  12.57007       7.204682  12.57007       7.204682  12.57007       7.204682  29.87961 12.26433  29.87961 12.26433  0.000000       0.000000  
1 1 1 15 0  17 o 38.55986 11.39863  18.37385       7.633533  18.37385       7.633533  18.37385       7.633533  38.55986 11.39863  38.55986 11.39863  0.000000       0.000000  
1 1 1 15 0  18 o 196.9119 4.438206  389.1005       17.45897  389.1005       17.45897  389.1005       17.45897  196.9119 4.438206  196.9119 4.438206  0.000000       0.000000  
1 1 1 15 0  19 o 34.96236 15.11905  17.90688       10.81655  17.90688       10.81655  17.90688       10.81655  34.96236 15.11905  34.96236 15.11905  0.000000       0.000000  
1 1 1 15 0  20 f 26.63944 14.57697  10.57831       10.93091  10.57831       10.93091  10.57831       10.93091  26.63944 14.57697  26.63944 14.57697  0.000000       0.000000  
1 1 1 15 0  21 o 126.1019 5.735067  161.3048       14.39984  161.3048       14.39984  161.3048       14.39984  126.1019 5.735067  126.1019 5.735067  0.000000       0.000000  
1 1 1 15 0  22 o 18.37911 12.93471  -14.62856      17.31602  -14.62856      17.31602  -14.62856      17.31602  18.37911 12.93471  18.37911 12.93471  0.000000       0.000000  
1 1 1 15 0  23 o 73.51279 12.19595  60.37257       16.63939  60.37257       16.63939  60.37257       16.63939  73.51279 12.19595  73.51279 12.19595  0.000000       0.000000  
1 1 1 15 1  0  o 430.5209 4.530148  1854.481       38.99678  1854.481       38.99678  1854.481       38.99678  430.5209 4.530148  430.5209 4.530148  0.000000       0.000000  
1 1 1 15 1  1  o 58.14814 0.7595999 34.17459       0.6146852 41.16961       1.229370  27.17957       1.229370  64.16297 0.9580063 52.13332 1.179064  12.02966       1.519200  
1 1 1 15 1  2  o 235.9077 1.361953  559.9116       4.502927  473.5650       9.005854  646.2581       9.005854  217.6068 2.069295  254.2086 1.771351  -36.60185      2.723907  
1 1 1 15 1  3  o 837.9714 4.810082  7027.973       56.99419  6886.466       113.9884  7169.479       113.9884  829.5280 6.870677  846.4147 6.733601  -16.88672      9.620165  
1 1 1 15 1  4  o 314.0230 1.995849  986.2458       8.862904  999.2114       17.72581  973.2803       17.72581  316.0875 2.803940  311.9586 2.841051  4.128876       3.991698  
1 1 1 15 1  5  o 676.9551 3.775842  4584.318       36.14730  4624.920       72.29460  4543.715       72.29460  679.9540 5.316140  673.9562 5.363450  5.997864       7.551684  
1 1 1 15 1  6  o 1308.391 6.729704  17139.95       124.5095  17427.90       249.0190  16852.00       249.0190  1319.395 9.436863  1297.387 9.596942  22.00781       13.45941  
1 1 1 15 1  7  o 625.0378 3.272130  3907.892       28.92356  3905.271       57.84712  3910.513       57.84712  624.8282 4.629043  625.2474 4.625938  -0.4192505     6.544260  
1 1 1 15 1  8  o 354.3822 1.940941  1257.022       9.715838  1327.911       19.43168  1186.133       19.43168  364.3839 2.666374  344.3804 2.821252  20.00354       3.881882  
1 1 1 15 1  9  o 283.9314 1.600137  806.4288       6.423223  783.4235       12.84645  829.4344       12.84645  279.8801 2.294991  287.9826 2.230420  -8.102478      3.200274  
1 1 1 15 1  10 o 344.0775 1.908555  1184.580       9.282225  1228.465       18.56445  1140.694       18.56445  350.4547 2.648623  337.7001 2.748658  12.75461       3.817110  
1 1 1 15 1  11 o 149.3264 1.191799  223.9122       2.501626  195.5747       5.003252  252.2497       5.003252  139.8379 1.788947  158.8148 1.575185  -18.97687      2.383598  
1 1 1 15 1  12 o 100.6012 1.222680  101.9758       1.720166  84.50254       3.440331  119.4491       3.440331  91.91679 1.871438  109.2856 1.574009  -17.36884      2.445360  
1 1 1 15 1  13 o 300.5745 1.771265  903.8636       7.528703  916.2051       15.05741  891.5223       15.05741  302.6275 2.487779  298.5215 2.521997  4.105927       3.542529  
1 1 1 15 1  14 o 326.3419 1.913163  1065.612       8.829549  1068.666       17.65910  1062.557       17.65910  326.8099 2.701739  325.8740 2.709498  0.9359436      3.826326  
1 1 1 15 1  15 o 270.9785 1.880090  737.0171       7.171328  818.9514       14.34266  655.0829       14.34266  286.0967 2.506610  255.8602 2.802830  30.23647       3.760180  
1 1 1 15 1  16 o 147.7368 1.639921  218.3848       3.426036  215.2065       6.852073  221.5630       6.852073  146.6611 2.336023  148.8124 2.302252  -2.151291      3.279843  
1 1 1 15 1  17 o 151.1889 1.721190  228.8249       3.678581  236.4966       7.357163  221.1533       7.357163  153.7260 2.392946  148.6518 2.474629  5.074219       3.442380  
1 1 1 15 1  18 o 43.08008 5.362242  19.15054       3.178256  16.86811       6.356512  21.43298       6.356512  40.08508 8.211712  46.07507 6.897995  -5.989990      10.72448  
1 1 1 15 1  19 f 69.63389 3.404474  49.90386       3.240201  35.30866       6.480402  64.49906       6.480402  59.15393 5.477576  80.11385 4.044497  -20.95992      6.808949  
1 1 1 15 1  20 o 80.15395 4.089565  65.28053       4.607757  57.12284       9.215513  73.43821       9.215513  75.06519 6.138340  85.24270 5.405456  -10.17751      8.179131  
1 1 1 15 1  21 o 85.18575 4.682550  75.55386       5.470222  96.30068       10.94044  54.80705       10.94044  97.36315 5.618370  73.00835 7.492598  24.35480       9.365100  
1 1 1 15 1  22 o 52.74093 9.151367  31.51096       6.809187  35.98529       13.61837  27.03662       13.61837  56.71331 12.34995  48.76855 13.50811  7.944756       18.30273  
1 1 1 15 1  23 o 137.8888 3.971921  194.9315       7.743128  189.5994       15.48626  200.2635       15.48626  135.9553 5.695348  139.8222 5.537838  -3.866913      7.943843  
1 1 1 15 1  24 o 88.86462 7.818237  89.08647       9.825435  88.89588       19.65087  89.27708       19.65087  88.75738 11.06999  88.97186 11.04331  -0.2144852     15.63647  
1 1 1 15 2  0  o 896.4466 9.233512  8045.544       165.5076  8045.544       165.5076  8045.544       165.5076  896.4466 9.233512  896.4466 9.233512  0.000000       0.000000  
1 1 1 15 2  1  o 170.0165 1.016816  289.8503       2.434916  319.9318       4.869832  259.7688       4.869832  178.8631 1.361329  161.1699 1.510776  17.69327       2.033633  
1 1 1 15 2  2  o 496.3542 2.624854  2465.054       18.41673  2378.889       36.83347  2551.220       36.83347  487.6744 3.776440  505.0341 3.646632  -17.35968      5.249707  
1 1 1 15 2  3  o 822.7864 4.828191  6774.894       56.17937  6722.826       112.3587  6826.961       112.3587  819.6223 6.854300  825.9504 6.801785  -6.328125      9.656382  
1 1 1 15 2  4  o 797.0734 4.464445  6356.498       50.32318  6300.609       100.6464  6412.387       100.6464  793.5675 6.341387  800.5793 6.285847  -7.011780      8.928889  
1 1 1 15 2  5  o 462.4242 2.562766  2141.225       16.72992  2288.297       33.45984  1994.153       33.45984  478.3265 3.497595  446.5220 3.746719  31.80450       5.125531  
1 1 1 15 2  6  o 814.0055 4.226411  6635.809       48.57919  7058.779       97.15839  6212.838       97.15839  839.9863 5.783332  788.0247 6.164679  51.96161       8.452822  
1 1 1 15 2  7  o 610.1312 3.233012  3725.570       27.87526  3892.263       55.75052  3558.875       55.75052  623.7917 4.468681  596.4706 4.673367  27.32104       6.466024  
1 1 1 15 2  8  o 289.2726 1.688708  839.1072       6.880662  925.7446       13.76132  752.4700       13.76132  304.2477 2.261533  274.2976 2.508466  29.95004       3.377415  
1 1 1 15 2  9  o 247.2340 1.522469  615.0236       5.274857  710.2997       10.54971  519.7473       10.54971  266.5024 1.979290  227.9656 2.313883  38.53682       3.044937  
1 1 1 15 2  10 o 376.3010 2.075436  1417.202       11.03574  1350.811       22.07149  1483.593       22.07149  367.4795 3.003091  385.1225 2.865515  -17.64301      4.150872  
1 1 1 15 2  11 o 230.6071 1.388065  531.8981       4.526752  527.6000       9.053504  536.1961       9.053504  229.6752 1.970937  231.5390 1.955071  -1.863785      2.776129  
1 1 1 15 2  12 o 259.1659 1.552518  672.2798       5.684648  637.9384       11.36929  706.6212       11.36929  252.5405 2.250984  265.7913 2.138764  -13.25075      3.105035  
1 1 1 15 2  13 o 128.9054 1.295633  166.3558       2.358676  156.2730       4.717352  176.4385       4.717352  124.9945 1.887025  132.8163 1.775894  -7.821815      2.591266  
1 1 1 15 2  14 o 108.3128 1.519153  117.5764       2.320556  127.6639       4.641112  107.4889       4.641112  112.9695 2.054144  103.6562 2.238705  9.313316       3.038307  
1 1 1 15 2  15 o 279.1637 1.894920  779.8069       7.481052  782.5563       14.96210  777.0574       14.96210  279.6561 2.675090  278.6712 2.684544  0.9848633      3.789840  
1 1 1 15 2  16 o 201.7417 1.617712  408.2130       4.598227  367.6104       9.196454  448.8155       9.196454  191.6787 2.398925  211.8047 2.170975  -20.12602      3.235425  
1 1 1 15 2  17 o 167.6498 1.646368  281.3114       3.902537  274.4165       7.805074  288.2064       7.805074  165.5934 2.356698  169.7061 2.299585  -4.112717      3.292737  
1 1 1 15 2  18 o 108.3911 2.197903  117.8337       3.364091  125.2528       6.728183  110.4146       6.728183  111.8135 3.008662  104.9688 3.204850  6.844765       4.395806  
1 1 1 15 2  19 o 131.4829 2.355937  173.5033       4.379037  167.9282       8.758074  179.0783       8.758074  129.3629 3.385080  133.6030 3.277648  -4.240143      4.711873  
1 1 1 15 2  20 o 151.8299 2.514949  231.7649       5.393982  244.4351       10.78796  219.0948       10.78796  156.0024 3.457628  147.6574 3.653038  8.344955       5.029898  
1 1 1 15 2  21 o 34.55607 7.753667  10.67360       4.927012  21.49969       9.854024  -0.1524801     9.854024  44.17116 11.14709  24.94097 10.78053  19.23019       15.50733  
1 1 1 15 2  22 o 38.36369 9.391269  14.98116       6.337452  19.75570       12.67490  10.20663       12.67490  42.25789 13.39211  34.46949 13.16947  7.788403       18.78254  
1 1 1 15 2  23 o 81.18500 7.049695  71.12242       8.090974  73.19043       16.18195  69.05441       16.18195  82.45864 9.812160  79.91135 10.12494  2.547287       14.09939  
1 1 1 15 2  24 o 65.88542 9.359182  52.64850       8.529353  66.13823       17.05871  39.15878       17.05871  76.50012 11.14946  55.27072 15.03551  21.22940       18.71836  
1 1 1 15 3  0  o 690.4578 7.258435  4771.349       100.2080  4771.349       100.2080  4771.349       100.2080  690.4578 7.258435  690.4578 7.258435  0.000000       0.000000  
1 1 1 15 3  1  o 464.0847 2.482376  2155.573       16.27725  2048.989       32.55449  2262.156       32.55449  452.6015 3.596375  475.5679 3.422697  -22.96640      4.964752  
1 1 1 15 3  2  o 445.7981 2.358872  1987.759       14.87157  1992.209       29.74314  1983.308       29.74314  446.2972 3.332212  445.2990 3.339683  0.9982910      4.717745  
1 1 1 15 3  3  o 178.5932 1.217595  319.4266       3.068661  295.2776       6.137322  343.5757       6.137322  171.8323 1.785847  185.3541 1.655567  -13.52182      2.435190  
1 1 1 15 3  4  o 540.6433 3.106437  2925.010       23.73447  2797.742       47.46895  3052.279       47.46895  528.8732 4.487744  552.4134 4.296506  -23.54016      6.212874  
1 1 1 15 3  5  o 383.3129 2.135328  1472.371       11.54083  1341.339       23.08167  1603.404       23.08167  366.2208 3.151333  400.4050 2.882290  -34.18427      4.270655  
1 1 1 15 3  6  o 282.3262 1.574236  797.9711       6.275507  746.1993       12.55101  849.7428       12.55101  273.1574 2.297396  291.4949 2.152870  -18.33755      3.148473  
1 1 1 15 3  7  o 260.5307 1.477062  680.4375       5.422573  613.8656       10.84515  747.0093       10.84515  247.7545 2.188688  273.3069 1.984060  -25.55240      2.954124  
1 1 1 15 3  8  o 327.2411 1.822922  1073.598       8.405463  967.8290       16.81093  1179.367       16.81093  311.0804 2.702022  343.4018 2.447705  -32.32135      3.645845  
1 1 1 15 3  9  o 450.9944 2.432558  2034.527       15.51485  2027.565       31.02969  2041.489       31.02969  450.2226 3.446039  451.7662 3.434265  -1.543610      4.865117  
1 1 1 15 3  10 o 304.5969 1.739457  928.5701       7.485818  975.4053       14.97164  881.7351       14.97164  312.2850 2.397111  296.9089 2.521251  15.37610       3.478915  
1 1 1 15 3  11 o 133.7556 1.226622  181.6323       2.268141  225.6133       4.536282  137.6514       4.536282  150.1964 1.510116  117.3148 1.933379  32.88158       2.453244  
1 1 1 15 3  12 o 598.1338 3.204464  3581.838       27.10333  3642.072       54.20666  3521.603       54.20666  603.1690 4.493488  593.0986 4.569785  10.07037       6.408929  
1 1 1 15 3  13 o 366.2841 2.094577  1342.444       10.84991  1336.507       21.69982  1348.381       21.69982  365.4737 2.968725  367.0946 2.955617  -1.620911      4.189153  
1 1 1 15 3  14 o 192.4395 1.414750  371.6797       3.831062  414.4122       7.662123  328.9471       7.662123  203.5423 1.882194  181.3366 2.112679  22.20569       2.829500  
1 1 1 15 3  15 o 300.2421 1.846054  901.9911       7.838428  905.0453       15.67686  898.9367       15.67686  300.7507 2.606288  299.7334 2.615133  1.017303       3.692107  
1 1 1 15 3  16 o 194.7183 1.588572  379.6277       4.369507  400.5556       8.739014  358.6998       8.739014  200.0921 2.183747  189.3444 2.307703  10.74777       3.177144  
1 1 1 15 3  17 o 60.43860 3.324448  36.65239       2.839941  38.05330       5.679882  35.25148       5.679882  61.59755 4.610477  59.27964 4.790752  2.317905       6.648895  
1 1 1 15 3  18 o 119.2008 2.069733  142.7547       3.473686  158.1695       6.947372  127.3399       6.947372  125.6666 2.764207  112.7349 3.081289  12.93178       4.139466  
1 1 1 15 3  19 o 96.45398 3.067313  93.57034       4.183672  92.19326       8.367344  94.94743       8.367344  95.74013 4.369821  97.16783 4.305614  -1.427704      6.134627  
1 1 1 15 3  20 o 61.85969 4.840426  39.24932       4.178907  32.06846       8.357814  46.43018       8.357814  56.05554 7.454939  67.66384 6.175982  -11.60830      9.680852  
1 1 1 15 3  21 o 66.72340 5.281951  45.89650       4.960367  40.87419       9.920734  50.91881       9.920734  62.95987 7.878618  70.48693 7.037286  -7.527065      10.56390  
1 1 1 15 3  22 o 50.58427 9.079232  29.03792       6.618587  36.08060       13.23717  21.99525       13.23717  56.90590 12.00474  44.26264 13.62409  12.64325       18.15846  
1 1 1 15 3  23 o 31.28124 8.911845  5.784713       6.318392  -1.162660      12.63678  12.73209       12.63678  26.92501 11.90494  35.63748 13.26486  -8.712469      17.82369  
1 1 1 15 3  24 o 55.04360 15.06911  38.86335       17.06824  38.86335       17.06824  ?              ?         55.04360 15.06911  ?        ?         ?              ?         
1 1 1 15 4  0  o 164.9791 1.993543  272.3103       6.575703  272.3103       6.575703  272.3103       6.575703  164.9791 1.993543  164.9791 1.993543  0.000000       0.000000  
1 1 1 15 4  1  o 95.21562 0.7367029 90.71611       0.9911204 86.28466       1.982241  95.14756       1.982241  92.88856 1.067000  97.54268 1.016089  -4.654121      1.473406  
1 1 1 15 4  2  o 328.5630 1.908418  1080.054       8.862904  1120.719       17.72581  1039.390       17.72581  334.7513 2.647609  322.3748 2.749254  12.37646       3.816835  
1 1 1 15 4  3  o 655.9069 3.422778  4303.593       31.74921  4285.271       63.49841  4321.914       63.49841  654.5103 4.850835  657.3035 4.830221  -2.793213      6.845556  
1 1 1 15 4  4  o 275.6797 1.638211  768.5519       6.280273  607.6807       12.56055  929.4231       12.56055  246.5025 2.547752  304.8569 2.060072  -58.35440      3.276422  
1 1 1 15 4  5  f 223.1656 1.304338  498.4001       4.112197  471.9830       8.224394  524.8173       8.224394  217.2468 1.892869  229.0843 1.795058  -11.83745      2.608675  
1 1 1 15 4  6  o 240.0174 1.380969  576.3984       4.683997  550.6627       9.367994  602.1342       9.367994  234.6562 1.996111  245.3786 1.908885  -10.72246      2.761938  
1 1 1 15 4  7  o 168.9687 1.088269  285.7762       2.596926  268.4793       5.193852  303.0732       5.193852  163.8503 1.584938  174.0871 1.491740  -10.23680      2.176538  
1 1 1 15 4  8  o 236.6499 1.440188  560.6358       4.812652  525.0937       9.625304  596.1780       9.625304  229.1405 2.100307  244.1593 1.971111  -15.01888      2.880376  
1 1 1 15 4  9  o 167.7543 1.195649  281.5258       2.835176  291.6848       5.670352  271.3669       5.670352  170.7822 1.660112  164.7264 1.721143  6.055862       2.391297  
1 1 1 15 4  10 o 184.6658 1.187110  341.2646       3.097251  358.4997       6.194502  324.0297       6.194502  189.3323 1.635881  179.9992 1.720703  9.333084       2.374221  
1 1 1 15 4  11 o 199.7821 1.311371  400.4126       3.688112  444.5556       7.376224  356.2697       7.376224  210.8298 1.749331  188.7343 1.954129  22.09555       2.622742  
1 1 1 15 4  12 o 315.1915 1.824829  995.0040       8.119563  1063.701       16.23913  926.3069       16.23913  326.0891 2.489983  304.2938 2.668330  21.79532       3.649657  
1 1 1 15 4  13 o 307.9814 1.819437  948.9930       7.924198  938.1527       15.84840  959.8334       15.84840  306.2215 2.587734  309.7413 2.558328  -3.519836      3.638875  
1 1 1 15 4  14 o 197.3227 1.468082  390.0297       4.088372  418.8437       8.176744  361.2157       8.176744  204.6239 1.997993  190.0215 2.151531  14.60245       2.936165  
1 1 1 15 4  15 o 59.89883 2.608194  35.95671       2.206196  33.72668       4.412392  38.18673       4.412392  58.03735 3.801338  61.76033 3.572189  -3.722980      5.216389  
1 1 1 15 4  16 o 199.7184 1.570657  399.0737       4.436216  397.7823       8.872433  400.3650       8.872433  199.3951 2.224837  200.0417 2.217646  -0.6465759     3.141314  
1 1 1 15 4  17 o 61.94946 3.140547  39.53046       2.639811  52.25301       5.279623  26.80790       5.279623  72.21796 3.655339  51.68097 5.107898  20.53699       6.281093  
1 1 1 15 4  18 o 118.6040 2.126891  141.1441       3.559456  130.2561       7.118913  152.0322       7.118913  114.0140 3.121948  123.1941 2.889307  -9.180161      4.253781  
1 1 1 15 4  19 o 173.9442 1.921960  303.2876       4.726882  296.0019       9.453763  310.5733       9.453763  171.8499 2.750587  176.0385 2.685142  -4.188522      3.843919  
1 1 1 15 4  20 o 65.45598 5.769207  44.11915       5.298682  37.91988       10.59736  50.31842       10.59736  60.72053 8.726344  70.19142 7.548903  -9.470894      11.53841  
1 1 1 15 4  21 f 81.49523 4.168791  67.66302       4.793592  62.46917       9.587184  72.85688       9.587184  78.30863 6.121409  84.68183 5.660709  -6.373199      8.337582  
1 1 1 15 4  22 o 101.9818 3.880782  105.9307       5.584582  97.92079       11.16916  113.9407       11.16916  98.05466 5.695376  105.9090 5.273002  -7.854309      7.761563  
1 1 1 15 4  23 o 34.49788 8.726616  8.777134       6.275507  22.53846       12.55101  -4.984192      12.55101  43.93443 13.21525  25.06134 11.40054  18.87309       17.45323  
1 1 1 15 4  24 o 73.39442 7.632239  61.64960       7.461993  77.66000       14.92399  45.63919       14.92399  84.77274 8.802351  62.01609 12.47088  22.75664       15.26448  
1 1 1 15 5  0  o 538.2216 5.649760  2898.617       60.80142  2898.617       60.80142  2898.617       60.80142  538.2216 5.649760  538.2216 5.649760  0.000000       0.000000  
1 1 1 15 5  1  o 621.6698 3.298738  3867.223       28.99027  3992.204       57.98055  3742.242       57.98055  631.7219 4.589088  611.6177 4.739933  20.10413       6.597476  
1 1 1 15 5  2  o 319.1116 1.764361  1018.839       7.957553  1059.946       15.91511  977.7308       15.91511  325.5526 2.444322  312.6707 2.545027  12.88193       3.528721  
1 1 1 15 5  3  o 567.9841 2.984256  3230.514       23.92984  3449.051       47.85968  3011.977       47.85968  587.2221 4.075092  548.7462 4.360821  38.47595       5.968512  
1 1 1 15 5  4  o 426.4106 2.306288  1821.694       13.87092  1974.541       27.74184  1668.846       27.74184  444.3332 3.121739  408.4881 3.395673  35.84506       4.612575  
1 1 1 15 5  5  o 264.8031 1.496665  701.3463       5.603642  684.6546       11.20728  718.0381       11.20728  261.6513 2.141645  267.9548 2.091264  -6.303467      2.993330  
1 1 1 15 5  6  o 103.5062 0.8912173 107.3412       1.300845  116.6854       2.601691  97.99703       2.601691  108.0200 1.204263  98.99239 1.314086  9.027641       1.782435  
1 1 1 15 5  7  o 278.6964 1.583038  777.3338       6.232623  735.7449       12.46525  818.9227       12.46525  271.2351 2.297868  286.1577 2.178038  -14.92267      3.166077  
1 1 1 15 5  8  o 742.3925 3.876547  5517.249       40.66929  5764.185       81.33858  5270.312       81.33858  759.0236 5.358107  725.7614 5.603673  33.26227       7.753093  
1 1 1 15 5  9  o 358.4431 1.980599  1285.068       10.03986  1291.535       20.07972  1278.603       20.07972  359.3450 2.793933  357.5411 2.808029  1.803955       3.961198  
1 1 1 15 5  10 o 38.89581 2.136440  15.20036       1.167425  13.18952       2.334851  17.21119       2.334851  36.31091 3.215082  41.48070 2.814382  -5.169792      4.272880  
1 1 1 15 5  11 o 446.9391 2.453075  2000.700       15.48149  2127.993       30.96298  1873.408       30.96298  461.1796 3.356933  432.6987 3.577892  28.48093       4.906150  
1 1 1 15 5  12 o 247.1901 1.536279  611.5784       5.365392  580.7489       10.73078  642.4080       10.73078  240.9541 2.226728  253.4261 2.117143  -12.47200      3.072558  
1 1 1 15 5  13 o 124.9053 1.260043  156.0729       2.225256  152.1846       4.450512  159.9611       4.450512  123.3488 1.804035  126.4617 1.759628  -3.112953      2.520086  
1 1 1 15 5  14 o 58.45908 2.256378  34.28896       1.858351  37.72928       3.716702  30.84862       3.716702  61.40159 3.026552  55.51657 3.347381  5.885021       4.512756  
1 1 1 15 5  15 o 140.2793 1.545228  196.9375       3.063896  189.5899       6.127792  204.2852       6.127792  137.6604 2.225692  142.8982 2.144111  -5.237854      3.090456  
1 1 1 15 5  16 f 163.2263 1.722104  266.6495       3.974012  258.9683       7.948023  274.3307       7.948023  160.8734 2.470273  165.5793 2.400066  -4.705856      3.444207  
1 1 1 15 5  17 o 181.7194 1.833201  330.7006       4.707822  345.0243       9.415645  316.3770       9.415645  185.6605 2.535715  177.7783 2.648142  7.882248       3.666403  
1 1 1 15 5  18 o 97.66889 2.478976  95.69077       3.421271  91.23073       6.842543  100.1508       6.842543  95.38564 3.586778  99.95214 3.422910  -4.566498      4.957952  
1 1 1 15 5  19 o 219.9333 2.045926  485.0391       6.361277  470.2866       12.72255  499.7915       12.72255  216.5795 2.937156  223.2871 2.848923  -6.707672      4.091851  
1 1 1 15 5  20 o 32.03226 8.239273  8.877199       4.917482  12.24605       9.834964  5.508343       9.834964  34.98890 11.82302  29.07563 11.47862  5.913271       16.47855  
1 1 1 15 5  21 o 91.82300 4.348945  85.98923       5.636997  80.07109       11.27399  91.90736       11.27399  88.60042 6.362269  95.04557 5.930837  -6.445152      8.697890  
1 1 1 15 5  22 o 57.11939 7.804427  35.78040       6.146852  42.78019       12.29370  28.78061       12.29370  63.69970 9.649735  50.53909 12.26861  13.16062       15.60885  
1 1 1 15 5  23 o 57.43377 8.525790  39.04919       7.542998  10.70220       15.08600  67.39619       15.08600  35.52363 14.15552  79.34391 9.506714  -43.82028      17.05158  
1 1 1 15 5  24 o 29.04084 12.78231  1.153130       14.36172  1.153130       14.36172  ?              ?         29.04084 12.78231  ?        ?         ?              ?         
1 1 1 15 6  0  o 141.5476 2.337680  200.5303       6.613823  200.5303       6.613823  200.5303       6.613823  141.5476 2.337680  141.5476 2.337680  -0.000000      0.000000  
1 1 1 15 6  1  o 451.8372 2.456366  2043.219       15.68162  1942.158       31.36324  2144.280       31.36324  440.6539 3.558717  463.0205 3.386809  -22.36667      4.912733  
1 1 1 15 6  2  o 618.8033 3.291963  3840.039       28.69960  4224.984       57.39921  3455.093       57.39921  649.9073 4.415954  587.6993 4.883383  62.20801       6.583926  
1 1 1 15 6  3  o 488.7815 2.583888  2391.735       17.83540  2539.193       35.67080  2244.278       35.67080  503.8657 3.539713  473.6972 3.765148  30.16849       5.167776  
1 1 1 15 6  4  o 229.2351 1.371518  526.6805       4.431452  477.0815       8.862904  576.2793       8.862904  218.4167 2.028898  240.0534 1.846027  -21.63669      2.743035  
1 1 1 15 6  5  o 295.0897 1.653371  870.8517       6.899723  876.9033       13.79945  864.8002       13.79945  296.1151 2.330081  294.0644 2.346331  2.050720       3.306743  
1 1 1 15 6  6  o 383.1285 2.185504  1468.102       11.84103  1484.984       23.68206  1451.220       23.68206  385.3317 3.072944  380.9253 3.108491  4.406433       4.371007  
1 1 1 15 6  7  o 924.8306 4.803103  8559.630       62.81702  8460.823       125.6340  8658.438       125.6340  919.4886 6.831734  930.1725 6.753265  -10.68390      9.606206  
1 1 1 15 6  8  o 172.8028 1.181598  300.9337       2.854236  248.4091       5.708472  353.4583       5.708472  157.6049 1.811007  188.0006 1.518206  -30.39569      2.363196  
1 1 1 15 6  9  o 586.6841 3.094003  3443.828       25.66907  3397.132       51.33813  3490.526       51.33813  582.7043 4.405161  590.6638 4.345800  -7.959473      6.188006  
1 1 1 15 6  10 o 251.1487 1.506936  630.9530       5.351098  615.4953       10.70220  646.4106       10.70220  248.0713 2.157081  254.2260 2.104858  -6.154785      3.013872  
1 1 1 15 6  11 o 205.3263 1.306566  421.7313       3.792941  410.5430       7.585882  432.9195       7.585882  202.6018 1.872117  208.0508 1.823084  -5.449005      2.613132  
1 1 1 15 6  12 o 158.8813 1.236904  253.7078       2.758936  218.4372       5.517872  288.9783       5.517872  147.7816 1.866901  169.9809 1.623086  -22.19933      2.473809  
1 1 1 15 6  13 o 193.6657 1.391895  375.1820       3.812001  379.4467       7.624003  370.9173       7.624003  194.7667 1.957214  192.5646 1.979596  2.202072       2.783790  
1 1 1 15 6  14 o 344.6605 2.023823  1189.535       9.854024  1253.033       19.70805  1126.037       19.70805  353.8722 2.784628  335.4488 2.937565  18.42346       4.047646  
1 1 1 15 6  15 o 369.3930 2.157903  1366.784       11.25970  1290.515       22.51940  1443.052       22.51940  359.0695 3.135799  379.7165 2.965291  -20.64700      4.315807  
1 1 1 15 6  16 o 337.9602 2.213736  1143.567       10.57831  1116.688       21.15661  1170.447       21.15661  333.9835 3.167314  341.9369 3.093642  -7.953430      4.427471  
1 1 1 15 6  17 o 162.1627 1.810802  263.3331       4.150317  252.9168       8.300633  273.7494       8.300633  158.9510 2.611067  165.3744 2.509649  -6.423370      3.621603  
1 1 1 15 6  18 o 76.29955 3.450704  58.67624       3.707171  52.38644       7.414343  64.96604       7.414343  72.17776 5.136169  80.42133 4.609687  -8.243576      6.901409  
1 1 1 15 6  19 o 85.68397 3.586926  74.72953       4.278972  89.71545       8.557944  59.74360       8.557944  94.42886 4.531424  76.93908 5.561506  17.48978       7.173852  
1 1 1 15 6  20 f 178.1472 2.523981  318.9740       6.356512  328.9567       12.71302  308.9913       12.71302  180.9490 3.512875  175.3454 3.625138  5.603622       5.047961  
1 1 1 15 6  21 o 103.1892 3.723114  107.9368       5.432102  110.4051       10.86420  105.4686       10.86420  104.3852 5.203903  101.9932 5.325947  2.391991       7.446228  
1 1 1 15 6  22 o 28.34859 8.355899  3.306911       5.565523  4.059782       11.13105  2.554041       11.13105  28.83871 11.90695  27.85846 11.72641  0.9802551      16.71180  
1 1 1 15 6  23 o 74.60728 6.846566  59.72930       7.223743  60.08667       14.44749  59.37193       14.44749  74.84679 9.651374  74.36778 9.713539  0.4790115      13.69313  
1 1 1 15 6  24 o 81.38882 6.069099  71.33685       6.985494  70.90323       13.97099  71.77045       13.97099  81.12244 8.611049  81.65521 8.554865  -0.5327682     12.13820  
1 1 1 15 7  0  o 691.7653 7.207477  4788.817       99.69337  4788.817       99.69337  4788.817       99.69337  691.7653 7.207477  691.7653 7.207477  0.000000       0.000000  
1 1 1 15 7  1  o 290.6416 1.662308  845.1493       6.828248  810.4316       13.65650  879.8671       13.65650  284.6690 2.398662  296.6142 2.302064  -11.94522      3.324617  
1 1 1 15 7  2  f 133.6498 0.9959384 181.3798       1.839291  225.7277       3.678581  137.0319       3.678581  150.2409 1.224228  117.0588 1.571254  33.18213       1.991877  
1 1 1 15 7  3  o 584.6443 3.065510  3419.347       25.34028  3335.463       50.68056  3503.229       50.68056  577.4705 4.388151  591.8182 4.281768  -14.34766      6.131020  
1 1 1 15 7  4  o 167.0210 1.116747  279.1624       2.635046  293.8672       5.270092  264.4576       5.270092  171.4231 1.537160  162.6189 1.620381  8.804169       2.233494  
1 1 1 15 7  5  o 588.9076 3.119580  3471.313       25.95497  3651.116       51.90993  3291.510       51.90993  604.1733 4.295947  573.6418 4.524595  30.53156       6.239160  
1 1 1 15 7  6  o 507.8019 2.738617  2581.816       19.63657  2747.805       39.27314  2415.827       39.27314  524.1457 3.746396  491.4580 3.995575  32.68765       5.477235  
1 1 1 15 7  7  o 344.9113 1.901687  1190.059       9.272695  1226.816       18.54539  1153.302       18.54539  350.2398 2.647527  339.5828 2.730613  10.65701       3.803373  
1 1 1 15 7  8  o 306.4948 1.747934  939.5154       7.576353  935.6176       15.15271  943.4133       15.15271  305.8589 2.477074  307.1306 2.466818  -1.271698      3.495867  
1 1 1 15 7  9  o 428.6363 2.300276  1837.957       13.94240  1868.977       27.88479  1806.936       27.88479  432.2548 3.225504  425.0178 3.280426  7.236969       4.600552  
1 1 1 15 7  10 o 372.4516 2.080573  1391.223       10.91662  1250.375       21.83324  1532.072       21.83324  353.5433 3.087775  391.3600 2.789407  -37.81665      4.161147  
1 1 1 15 7  11 o 76.48338 1.404435  59.59588       1.477151  75.55386       2.954301  43.63789       2.954301  86.91571 1.699521  66.05106 2.236377  20.86465       2.808870  
1 1 1 15 7  12 o 365.0596 2.070862  1334.019       10.68313  1394.116       21.36627  1273.923       21.36627  373.2906 2.861881  356.8286 2.993912  16.46204       4.141724  
1 1 1 15 7  13 o 343.7934 1.995705  1182.755       9.701544  1206.908       19.40309  1158.601       19.40309  347.3062 2.793369  340.2806 2.851043  7.025665       3.991410  
1 1 1 15 7  14 o 55.01648 2.556254  30.95345       1.925061  22.04290       3.850122  39.86400       3.850122  46.91840 4.102998  63.11456 3.050106  -16.19616      5.112508  
1 1 1 15 7  15 o 344.0247 2.100107  1184.665       10.21616  1207.061       20.43233  1162.270       20.43233  347.2797 2.941768  340.7698 2.997966  6.509888       4.200215  
1 1 1 15 7  16 o 217.8630 1.670441  474.9849       5.146202  482.6852       10.29240  467.2847       10.29240  219.6302 2.343121  216.0958 2.381445  3.534424       3.340883  
1 1 1 15 7  17 o 93.73522 2.209532  88.25260       2.916181  97.74924       5.832363  78.75596       5.832363  98.80090 2.951574  88.66955 3.288820  10.13135       4.419064  
1 1 1 15 7  18 f 255.4513 1.905478  653.7487       6.880662  676.4396       13.76132  631.0577       13.76132  259.8926 2.647502  251.0100 2.741191  8.882660       3.810957  
1 1 1 15 7  19 f 157.8851 2.180215  250.2484       4.860302  233.9997       9.720604  266.4970       9.720604  152.7393 3.182089  163.0308 2.981217  -10.29144      4.360430  
1 1 1 15 7  20 o 142.1471 2.574038  203.1844       5.170027  193.4877       10.34005  212.8812       10.34005  138.7363 3.726514  145.5579 3.551869  -6.821655      5.148076  
1 1 1 15 7  21 o 27.46776 7.725080  4.707822       4.512457  3.507041       9.024914  5.908603       9.024914  26.50801 10.79600  28.42751 11.05232  -1.919497      15.45016  
1 1 1 15 7  22 o 86.55055 4.988072  77.74100       6.037257  64.78497       12.07451  90.69705       12.07451  79.06589 7.635730  94.03522 6.420209  -14.96933      9.976144  
1 1 1 15 7  23 o 65.32805 7.827225  47.96927       6.904487  59.53394       13.80897  36.40462       13.80897  74.66241 9.247609  55.99368 12.63105  18.66874       15.65445  
1 1 1 15 7  24 o 55.35945 14.52108  38.81571       16.27725  38.81571       16.27725  ?              ?         55.35945 14.52108  ?        ?         ?              ?         
1 1 1 15 8  0  o 221.2107 2.542540  489.5563       11.24540  489.5563       11.24540  489.5563       11.24540  221.2107 2.542540  221.2107 2.542540  0.000000       0.000000  
1 1 1 15 8  1  f 213.6753 1.250315  456.9398       3.773881  482.2467       7.547763  431.6329       7.547763  219.5971 1.718548  207.7534 1.816519  11.84361       2.500630  
1 1 1 15 8  2  o 700.0442 3.700117  4905.017       36.59998  5140.188       73.19996  4669.845       73.19996  716.8411 5.105731  683.2473 5.356770  33.59387       7.400234  
1 1 1 15 8  3  o 836.9606 4.340724  7008.747       51.37148  7143.271       102.7430  6874.220       102.7430  844.9972 6.079486  828.9240 6.197370  16.07318       8.681448  
1 1 1 15 8  4  o 544.7995 2.892589  2968.739       22.28592  2948.097       44.57183  2989.381       44.57183  542.9050 4.104938  546.6940 4.076488  -3.788940      5.785177  
1 1 1 15 8  5  o 758.9625 3.957322  5763.370       42.46569  5621.730       84.93139  5905.010       84.93139  749.6314 5.664877  768.2937 5.527274  -18.66229      7.914644  
1 1 1 15 8  6  o 125.1874 1.074056  156.7400       1.901236  153.5760       3.802472  159.9039       3.802472  123.9237 1.534199  126.4511 1.503535  -2.527382      2.148112  
1 1 1 15 8  7  o 234.7896 1.406212  551.6348       4.664937  524.3503       9.329873  578.9192       9.329873  228.9792 2.037275  240.6000 1.938877  -11.62077      2.812425  
1 1 1 15 8  8  o 516.9526 2.767176  2675.243       20.20837  2818.966       40.41675  2531.521       40.41675  530.8535 3.806771  503.0517 4.017157  27.80176       5.534351  
1 1 1 15 8  9  o 375.5314 2.135506  1411.856       11.32641  1495.258       22.65282  1328.454       22.65282  386.6359 2.929477  364.4268 3.108006  22.20905       4.271012  
1 1 1 15 8  10 o 225.7903 1.389686  509.9886       4.436216  495.9224       8.872433  524.0549       8.872433  222.6754 1.992235  228.9052 1.938015  -6.229797      2.779371  
1 1 1 15 8  11 f 137.4215 1.218448  189.6232       2.353911  165.8316       4.707822  213.4149       4.707822  128.7651 1.828066  146.0780 1.611407  -17.31290      2.436895  
1 1 1 15 8  12 o 205.0332 1.392338  422.2268       4.012132  476.4240       8.024263  368.0297       8.024263  218.2499 1.838320  191.8166 2.091650  26.43333       2.784676  
1 1 1 15 8  13 o 134.8477 1.369478  181.9087       2.611221  178.1444       5.222442  185.6731       5.222442  133.4519 1.956676  136.2434 1.916585  -2.791550      2.738956  
1 1 1 15 8  14 o 79.14415 1.922871  63.57466       2.106131  48.54584       4.212262  78.60348       4.212262  69.64957 3.023897  88.63874 2.376084  -18.98917      3.845742  
1 1 1 15 8  15 o 319.2295 1.980099  1019.891       8.939144  1012.344       17.87829  1027.439       17.87829  318.0473 2.810634  320.4117 2.789894  -2.364349      3.960198  
1 1 1 15 8  16 o 182.8535 1.581099  334.5746       4.088372  338.8583       8.176744  330.2909       8.176744  184.0248 2.221642  181.6821 2.250289  2.342712       3.162197  
1 1 1 15 8  17 o 163.3089 1.736724  267.1165       4.007367  253.9556       8.014733  280.2774       8.014733  159.2794 2.515934  167.3384 2.394768  -8.058929      3.473448  
1 1 1 15 8  18 o 139.8318 2.131146  196.1180       4.207497  209.0311       8.414993  183.2048       8.414993  144.4492 2.912787  135.2144 3.111722  9.234756       4.262293  
1 1 1 15 8  19 o 74.41920 3.719708  55.87917       3.912067  53.49191       7.824133  58.26645       7.824133  72.81527 5.372591  76.02314 5.145889  -3.207870      7.439416  
1 1 1 15 8  20 o 151.3518 2.422087  230.0876       5.184323  229.7589       10.36865  230.4164       10.36865  151.2432 3.427805  151.4604 3.422889  -0.2172394     4.844173  
1 1 1 15 8  21 o 94.35194 3.719979  90.64463       4.927012  103.1623       9.854024  78.12698       9.854024  100.9854 4.878933  87.71844 5.616849  13.26700       7.439959  
1 1 1 15 8  22 o 45.52906 9.203232  23.59152       6.399398  30.24823       12.79880  16.93482       12.79880  51.51773 12.52555  39.54039 13.48735  11.97733       18.40646  
1 1 1 15 8  23 o 59.83105 8.139667  41.39357       6.651943  56.62728       13.30389  26.15986       13.30389  72.76557 9.141607  46.89652 13.47025  25.86905       16.27933  
1 1 1 15 8  24 o 34.92608 14.51371  10.26381       16.70610  10.26381       16.70610  ?              ?         34.92608 14.51371  ?        ?         ?              ?         
1 1 1 15 9  0  o 461.6904 5.043048  2132.662       46.55407  2132.662       46.55407  2132.662       46.55407  461.6904 5.043048  461.6904 5.043048  0.000000       0.000000  
1 1 1 15 9  1  o 423.5508 2.314328  1800.046       13.79468  1594.760       27.58936  2005.332       27.58936  399.3168 3.454571  447.7847 3.080651  -48.46783      4.628657  
1 1 1 15 9  2  o 420.8541 2.289949  1776.474       13.57072  1966.183       27.14145  1586.765       27.14145  443.3926 3.060656  398.3155 3.407029  45.07718       4.579898  
1 1 1 15 9  3  o 497.1360 2.845911  2471.945       20.00824  2462.277       40.01649  2481.613       40.01649  496.1636 4.032590  498.1084 4.016845  -1.944763      5.691821  
1 1 1 15 9  4  o 987.6232 5.115729  9762.822       71.42738  10057.97       142.8548  9467.678       142.8548  1002.565 7.124461  972.6810 7.343351  29.88434       10.23146  
1 1 1 15 9  5  o 160.3793 1.142046  259.9547       2.549276  206.9440       5.098552  312.9653       5.098552  143.8526 1.772144  176.9059 1.441035  -33.05330      2.284092  
1 1 1 15 9  6  o 702.6512 3.833916  4939.968       38.09143  5042.458       76.18285  4837.478       76.18285  709.9444 5.365410  695.3582 5.477958  14.58624       7.667832  
1 1 1 15 9  7  o 649.7297 3.425146  4224.003       31.46331  4108.232       62.92661  4339.773       62.92661  640.8206 4.909846  658.6389 4.777020  -17.81830      6.850292  
1 1 1 15 9  8  o 543.2933 2.918544  2954.520       22.40504  3095.183       44.81008  2813.858       44.81008  556.2387 4.027954  530.3479 4.224593  25.89081       5.837088  
1 1 1 15 9  9  o 395.5880 2.163374  1566.175       12.09357  1637.131       24.18715  1495.219       24.18715  404.5563 2.989343  386.6196 3.128030  17.93674       4.326747  
1 1 1 15 9  10 o 346.7468 1.940109  1202.968       9.510945  1236.938       19.02189  1168.998       19.02189  351.6451 2.704700  341.8484 2.782211  9.796692       3.880219  
1 1 1 15 9  11 o 369.6437 2.074803  1367.441       10.84038  1316.017       21.68076  1418.865       21.68076  362.6878 2.988901  376.5995 2.878490  -13.91174      4.149606  
1 1 1 15 9  12 o 198.1947 1.367291  392.9888       3.831062  404.8632       7.662123  381.1144       7.662123  201.1904 1.904197  195.1991 1.962643  5.991257       2.734581  
1 1 1 15 9  13 f 108.8770 1.416015  118.8487       2.172841  107.5080       4.345681  130.1894       4.345681  103.6690 2.095941  114.0851 1.904579  -10.41606      2.832029  
1 1 1 15 9  14 o 165.5187 1.380323  274.0686       3.230671  269.2607       6.461343  278.8765       6.461343  164.0664 1.969125  166.9711 1.934869  -2.904739      2.760647  
1 1 1 15 9  15 o 289.5903 1.803636  839.9507       7.376224  788.4649       14.75245  891.4366       14.75245  280.7009 2.627788  298.4797 2.471264  -17.77884      3.607273  
1 1 1 15 9  16 o 161.9547 1.609275  262.5850       3.683347  273.7684       7.366693  251.4015       7.366693  165.4073 2.226834  158.5020 2.323848  6.905304       3.218549  
1 1 1 15 9  17 f 52.74801 4.874059  30.51507       3.159196  15.00976       6.318392  46.02039       6.318392  37.77803 8.559293  67.71799 4.665225  -29.93997      9.748118  
1 1 1 15 9  18 o 92.38692 2.803246  86.43237       3.611871  69.98835       7.223743  102.8764       7.223743  83.48737 4.326249  101.2865 3.565997  -17.79908      5.606493  
1 1 1 15 9  19 o 34.25434 5.991756  10.59260       3.726231  23.41522       7.452463  -2.230021      7.452463  47.91941 7.776038  20.58927 9.117993  27.33014       11.98351  
1 1 1 15 9  20 o 98.23779 3.300731  97.85886       4.545812  83.13976       9.091624  112.5779       9.091624  90.74622 5.009368  105.7293 4.299480  -14.98312      6.601461  
1 1 1 15 9  21 o 25.68741 7.780472  -0.4383802     5.189087  -5.279623      10.37817  4.402862       10.37817  22.82515 10.37890  28.54967 11.59403  -5.724525      15.56094  
1 1 1 15 9  22 o 33.08797 9.183600  8.796193       6.275507  9.482354       12.55101  8.110033       12.55101  33.56149 13.03680  32.61444 12.93816  0.9470444      18.36720  
1 1 1 15 9  23 o 43.63403 9.387909  22.24303       6.623353  13.73274       13.24671  30.75332       13.24671  36.37689 13.57302  50.89116 12.97322  -14.51426      18.77582  
1 1 1 15 9  24 o 29.98554 13.12114  3.040071       14.95257  3.040071       14.95257  ?              ?         29.98554 13.12114  ?        ?         ?              ?         
1 1 1 15 10 0  o 1087.958 11.31568  11849.13       246.1600  11849.13       246.1600  11849.13       246.1600  1087.958 11.31568  1087.958 11.31568  0.000000       0.000000  
1 1 1 15 10 1  f 243.5693 1.452128  593.9432       4.993722  633.3354       9.987444  554.5509       9.987444  251.6558 1.984346  235.4829 2.120631  16.17291       2.904257  
1 1 1 15 10 2  o 103.0607 0.8974115 107.6462       1.281785  132.2860       2.563571  83.00633       2.563571  115.0148 1.114453  91.10671 1.406906  23.90806       1.794823  
1 1 1 15 10 3  o 238.2307 1.485329  568.3647       4.993722  610.8065       9.987444  525.9228       9.987444  247.1385 2.020617  229.3230 2.177593  17.81544       2.970658  
1 1 1 15 10 4  o 525.2244 2.824220  2759.350       20.97554  2805.318       41.95108  2713.383       41.95108  529.6004 3.960635  520.8484 4.027187  8.752014       5.648439  
1 1 1 15 10 5  o 234.9956 1.607333  552.6068       5.336802  525.2557       10.67360  579.9579       10.67360  229.1761 2.328691  240.8151 2.216141  -11.63901      3.214667  
1 1 1 15 10 6  o 470.7782 2.545890  2217.274       16.94435  2283.656       33.88869  2150.893       33.88869  477.8284 3.546116  463.7281 3.653941  14.10034       5.091779  
1 1 1 15 10 7  o 480.8516 2.704640  2316.382       18.35002  2135.321       36.70005  2497.442       36.70005  462.0245 3.971656  499.6786 3.672365  -37.65408      5.409281  
1 1 1 15 10 8  f 334.6623 1.898552  1123.254       8.948673  1006.006       17.89735  1240.502       17.89735  317.1450 2.821635  352.1796 2.540940  -35.03464      3.797105  
1 1 1 15 10 9  o 228.5048 1.431734  525.4464       4.583931  443.3072       9.167863  607.5854       9.167863  210.5317 2.177312  246.4780 1.859773  -35.94630      2.863467  
1 1 1 15 10 10 o 82.54688 1.282127  68.31107       1.491446  74.93442       2.982891  61.68771       2.982891  86.55875 1.723044  78.53500 1.899084  8.023743       2.564255  
1 1 1 15 10 11 o 252.1138 1.565198  637.6478       5.555993  568.6649       11.11199  706.6307       11.11199  238.4329 2.330213  265.7947 2.090332  -27.36182      3.130396  
1 1 1 15 10 12 o 122.7593 1.256861  150.9314       2.177606  161.9910       4.355212  139.8719       4.355212  127.2639 1.711095  118.2547 1.841453  9.009155       2.513721  
1 1 1 15 10 13 o 254.1480 1.602845  646.1724       5.760887  649.3268       11.52177  643.0179       11.52177  254.7686 2.261224  253.5274 2.272294  1.241196       3.205690  
1 1 1 15 10 14 o 262.7041 1.676791  690.5775       6.227858  709.4706       12.45572  671.6842       12.45572  266.3000 2.338662  259.1082 2.403574  7.191833       3.353581  
1 1 1 15 10 15 o 50.20287 3.443167  25.58806       2.396796  31.36324       4.793592  19.81288       4.793592  55.95471 4.283457  44.45102 5.391994  11.50369       6.886334  
1 1 1 15 10 16 o 254.9847 1.845171  651.7760       6.637648  599.5421       13.27530  704.0099       13.27530  244.7421 2.712098  265.2273 2.502627  -20.48512      3.690341  
1 1 1 15 10 17 o 159.6313 1.751184  256.0426       3.931127  287.2724       7.862253  224.8128       7.862253  169.4131 2.320438  149.8494 2.623385  19.56372       3.502368  
1 1 1 15 10 18 o 107.0062 2.479584  114.9795       3.745291  106.8695       7.490582  123.0895       7.490582  103.2167 3.628571  110.7957 3.380357  -7.579025      4.959168  
1 1 1 15 10 19 o 161.9515 2.149166  263.4569       4.912717  244.5304       9.825435  282.3835       9.825435  156.1082 3.146995  167.7948 2.927813  -11.68658      4.298333  
1 1 1 15 10 20 f 141.9952 2.813981  203.3369       5.632232  184.4532       11.26446  222.2206       11.26446  135.3457 4.161366  148.6446 3.789060  -13.29883      5.627961  
1 1 1 15 10 21 o 30.13955 8.348222  5.351097       5.427337  -0.7909903     10.85467  11.49319       10.85467  25.74207 11.22252  34.53703 12.36229  -8.794956      16.69644  
1 1 1 15 10 22 o 50.78270 8.360472  29.14752       5.899073  27.55124       11.79815  30.74380       11.79815  49.26817 12.05544  52.29723 11.58691  -3.029064      16.72094  
1 1 1 15 10 23 o 66.91657 8.329341  51.14753       7.643063  43.49494       15.28613  58.80013       15.28613  60.65940 12.97736  73.17374 10.44509  -12.51435      16.65868  
1 1 1 15 10 24 o 59.38556 8.818666  43.76654       7.328573  32.24953       14.65715  55.28355       14.65715  49.44439 14.11836  69.32672 10.57107  -19.88233      17.63733  
1 1 1 15 11 0  o 653.3875 7.097739  4271.996       92.72693  4271.996       92.72693  4271.996       92.72693  653.3875 7.097739  653.3875 7.097739  0.000000       0.000000  
1 1 1 15 11 1  o 650.3310 3.417391  4230.550       31.42995  4237.259       62.85991  4223.841       62.85991  650.8469 4.829086  649.8151 4.836753  1.031738       6.834782  
1 1 1 15 11 2  o 429.1879 2.386594  1842.307       14.48561  1851.766       28.97121  1832.849       28.97121  430.2898 3.366477  428.0860 3.383807  2.203796       4.773187  
1 1 1 15 11 3  o 217.0417 1.379824  471.3874       4.231322  447.8720       8.462644  494.9026       8.462644  211.6245 1.999448  222.4590 1.902068  -10.83444      2.759648  
1 1 1 15 11 4  o 783.5608 4.088068  6144.427       45.27705  6373.980       90.55410  5914.874       90.55410  798.2089 5.672330  768.9127 5.888451  29.29620       8.176135  
1 1 1 15 11 5  o 671.5405 3.520169  4514.343       33.39790  4282.193       66.79580  4746.495       66.79580  654.2556 5.104718  688.8254 4.848529  -34.56982      7.040339  
1 1 1 15 11 6  o 538.9401 2.871771  2905.550       21.88565  2856.838       43.77131  2954.263       43.77131  534.4208 4.095210  543.4594 4.027100  -9.038513      5.743543  
1 1 1 15 11 7  o 296.3817 1.781432  878.5472       7.466758  874.4446       14.93352  882.6498       14.93352  295.6896 2.525202  297.0738 2.513435  -1.384247      3.562864  
1 1 1 15 11 8  o 198.4059 1.310825  396.0336       3.645226  335.2274       7.290452  456.8398       7.290452  183.0822 1.991032  213.7296 1.705532  -30.64735      2.621650  
1 1 1 15 11 9  o 128.5164 1.098603  165.1883       1.996536  167.6804       3.993072  162.6962       3.993072  129.4859 1.541894  127.5468 1.565336  1.939133       2.197206  
1 1 1 15 11 10 f 269.2559 1.604255  725.1666       6.108732  722.2408       12.21746  728.0923       12.21746  268.7126 2.273333  269.7992 2.264177  -1.086578      3.208511  
1 1 1 15 11 11 o 274.1823 1.637434  752.5319       6.342218  793.2108       12.68444  711.8531       12.68444  281.6005 2.252204  266.7641 2.377463  14.83640       3.274867  
1 1 1 15 11 12 o 165.1440 1.380948  273.0251       3.221142  257.2434       6.442283  288.8068       6.442283  160.3658 2.008621  169.9221 1.895657  -9.556320      2.761897  
1 1 1 15 11 13 o 208.0779 1.461495  433.9297       4.288502  396.2671       8.577003  471.5923       8.577003  199.0277 2.154726  217.1280 1.975103  -18.10025      2.922991  
1 1 1 15 11 14 o 265.9208 1.699282  707.5266       6.389868  718.7053       12.77974  696.3478       12.77974  268.0226 2.384078  263.8189 2.422066  4.203766       3.398563  
1 1 1 15 11 15 o 119.3840 1.767536  142.6499       2.982891  147.5435       5.965783  137.7562       5.965783  121.4336 2.456398  117.3345 2.542212  4.099091       3.535071  
1 1 1 15 11 16 o 150.7701 1.801790  228.6772       3.812001  195.9369       7.624003  261.4175       7.624003  139.9124 2.724563  161.6278 2.358506  -21.71539      3.603581  
1 1 1 15 11 17 o 181.2508 1.809529  329.0044       4.636347  317.9495       9.272694  340.0591       9.272694  178.2012 2.601749  184.3004 2.515647  -6.099182      3.619058  
1 1 1 15 11 18 o 131.5313 2.252210  173.6224       4.183672  184.0816       8.367344  163.1632       8.367344  135.5072 3.087416  127.5554 3.279887  7.951859       4.504419  
1 1 1 15 11 19 o 96.52544 3.250398  93.87531       4.436216  95.94808       8.872433  91.80252       8.872433  97.59913 4.545345  95.45174 4.647602  2.147385       6.500797  
1 1 1 15 11 20 o 69.49263 4.954257  49.39400       4.855536  53.53003       9.711073  45.25799       9.711073  72.46851 6.700203  66.51675 7.299720  5.951752       9.908514  
1 1 1 15 11 21 o 80.54398 4.875012  66.95781       5.484517  78.74641       10.96903  55.16920       10.96903  87.86211 6.242188  73.22586 7.489863  14.63625       9.750024  
1 1 1 15 11 22 o 86.90352 5.513307  79.58983       6.618587  60.71565       13.23717  98.46399       13.23717  76.04425 8.703600  97.76279 6.770047  -21.71854      11.02661  
1 1 1 15 11 23 o 27.01672 8.761332  -6.275507      7.647829  -6.470873      15.29566  -6.080142      15.29566  26.94179 12.37040  27.09166 12.41035  -0.1498699     17.52266  
1 1 1 15 11 24 o 27.75304 12.49784  0.9244103      14.59997  0.9244103      14.59997  ?              ?         27.75304 12.49784  ?        ?         ?              ?         
1 1 1 15 12 0  o 419.3997 4.918767  1759.963       41.24585  1759.963       41.24585  1759.963       41.24585  419.3997 4.918767  419.3997 4.918767  0.000000       0.000000  
1 1 1 15 12 1  o 348.4359 1.953342  1214.199       9.625304  1210.225       19.25061  1218.173       19.25061  347.8656 2.766960  349.0061 2.757918  -1.140533      3.906684  
1 1 1 15 12 2  o 108.7016 1.321596  118.2340       2.029891  123.9186       4.059782  112.5493       4.059782  111.3164 1.823533  106.0868 1.913424  5.229591       2.643192  
1 1 1 15 12 3  f 104.8549 1.352368  110.1001       2.001301  101.9901       4.002602  118.2102       4.002602  100.9877 1.981728  108.7222 1.840747  -7.734528      2.704736  
1 1 1 15 12 4  f 363.8381 2.141873  1324.289       11.01669  1366.555       22.03337  1282.024       22.03337  369.6464 2.980331  358.0298 3.077030  11.61658       4.283747  
1 1 1 15 12 5  o 660.7328 3.477580  4369.288       32.47349  4185.358       64.94698  4553.216       64.94698  646.8142 5.020528  674.6514 4.813373  -27.83716      6.955161  
1 1 1 15 12 6  o 598.2067 3.182863  3580.222       26.92226  3655.786       53.84452  3504.659       53.84452  604.5225 4.453475  591.8908 4.548518  12.63171       6.365725  
1 1 1 15 12 7  o 764.0702 4.174482  5847.868       45.04833  6193.893       90.09666  5501.843       90.09666  786.7137 5.726140  741.4266 6.075898  45.28711       8.348965  
1 1 1 15 12 8  o 189.0006 1.253705  357.3322       3.349797  346.3108       6.699593  368.3537       6.699593  186.0849 1.800144  191.9164 1.745446  -5.831436      2.507409  
1 1 1 15 12 9  o 275.5658 1.652835  765.4642       6.366043  899.7562       12.73209  631.1721       12.73209  299.9324 2.122492  251.1992 2.534261  48.73322       3.305670  
1 1 1 15 12 10 o 101.0744 1.177351  102.2093       1.682046  106.0022       3.364091  98.41635       3.364091  102.9508 1.633835  99.19814 1.695642  3.752617       2.354702  
1 1 1 15 12 11 o 77.66556 1.627116  60.88243       1.763051  49.41307       3.526102  72.35179       3.526102  70.28175 2.508547  85.04938 2.072973  -14.76763      3.254232  
1 1 1 15 12 12 o 648.7292 3.515015  4216.378       32.24477  4287.406       64.48954  4145.352       64.48954  654.2036 4.928859  643.2549 5.012752  10.94867       7.030030  
1 1 1 15 12 13 o 81.19577 1.738991  66.17635       1.987006  58.60952       3.974012  73.74317       3.974012  76.53615 2.596166  85.85538 2.314364  -9.319237      3.477982  
1 1 1 15 12 14 f 356.7745 2.051271  1274.252       10.34482  1228.665       20.68964  1319.839       20.68964  350.3858 2.952409  363.1633 2.848531  -12.77747      4.102541  
1 1 1 15 12 15 o 144.7967 1.608865  210.0508       3.287851  225.4704       6.575703  194.6313       6.575703  150.1212 2.190131  139.4721 2.357354  10.64909       3.217730  
1 1 1 15 12 16 o 93.01984 2.317116  86.71351       3.044836  91.38320       6.089673  82.04381       6.089673  95.52989 3.187313  90.50978 3.364096  5.020111       4.634232  
1 1 1 15 12 17 o 264.1276 1.863073  699.0591       6.952137  735.3256       13.90427  662.7927       13.90427  270.9929 2.565432  257.2623 2.702354  13.73065       3.726145  
1 1 1 15 12 18 f 40.21622 6.347148  17.20642       3.526102  19.26967       7.052203  15.14318       7.052203  42.72949 8.554193  37.70294 9.379281  5.026550       12.69430  
1 1 1 15 12 19 o 151.5491 2.272524  230.5308       4.869832  235.0385       9.739664  226.0231       9.739664  153.0363 3.182142  150.0618 3.245217  2.974426       4.545048  
1 1 1 15 12 20 o 63.91579 4.897074  41.79860       4.421922  39.65435       8.843843  43.94285       8.843843  62.23839 7.104814  65.59319 6.741434  -3.354801      9.794147  
1 1 1 15 12 21 o 118.1556 3.842930  141.8779       6.413693  133.9633       12.82739  149.7926       12.82739  114.8063 5.586534  121.5048 5.278551  -6.698517      7.685861  
1 1 1 15 12 22 o 45.38147 9.442608  23.67253       6.589998  18.15466       13.18000  29.19040       13.18000  40.50086 13.68673  50.26207 13.01249  -9.761211      18.88522  
1 1 1 15 12 23 o 34.39752 13.97819  9.711073       15.09553  9.711073       15.09553  ?              ?         34.39752 13.97819  ?        ?         ?              ?         
1 1 1 15 12 24 o 52.98283 12.62649  38.09143       13.20859  38.09143       13.20859  ?              ?         52.98283 12.62649  ?        ?         ?              ?         
1 1 1 15 13 0  o 178.5562 2.800934  319.0740       9.996975  319.0740       9.996975  319.0740       9.996975  178.5562 2.800934  178.5562 2.800934  0.000000       0.000000  
1 1 1 15 13 1  o 835.5194 4.348301  6984.536       51.37625  6891.785       102.7525  7077.286       102.7525  829.9689 6.190142  841.0699 6.108440  -11.10107      8.696602  
1 1 1 15 13 2  o 407.8409 2.245190  1666.273       12.91792  1800.837       25.83584  1531.710       25.83584  424.3380 3.044253  391.3438 3.300914  32.99417       4.490380  
1 1 1 15 13 3  o 685.8257 3.704028  4705.940       35.91858  4812.614       71.83717  4599.266       71.83717  693.6028 5.178553  678.0487 5.297346  15.55408       7.408055  
1 1 1 15 13 4  f 469.9240 2.640719  2208.764       17.54950  2208.407       35.09900  2209.122       35.09900  469.8859 3.734843  469.9620 3.734239  -0.7608032E-01 5.281439  
1 1 1 15 13 5  o 239.8040 1.697692  575.2024       5.756122  589.4689       11.51224  560.9360       11.51224  242.7786 2.370934  236.8294 2.430493  5.949219       3.395383  
1 1 1 15 13 6  o 271.7966 1.582001  739.6426       6.070612  690.0771       12.14122  789.2082       12.14122  262.6785 2.311043  280.9147 2.161016  -18.23627      3.164002  
1 1 1 15 13 7  o 352.6145 1.953007  1243.966       9.734899  1286.169       19.46980  1201.762       19.46980  358.5989 2.714704  346.6301 2.808440  11.96878       3.906015  
1 1 1 15 13 8  o 452.0942 2.565744  2045.058       16.40114  2091.283       32.80228  1998.833       32.80228  457.2065 3.587249  446.9818 3.669308  10.22470       5.131489  
1 1 1 15 13 9  o 279.5457 1.670729  782.4609       6.594762  732.1711       13.18952  832.7509       13.18952  270.5508 2.437533  288.5406 2.285558  -17.98984      3.341458  
1 1 1 15 13 10 o 298.6620 1.740034  893.1757       7.338103  836.0197       14.67621  950.3320       14.67621  289.0933 2.538317  308.2307 2.380718  -19.13742      3.480067  
1 1 1 15 13 11 o 508.2034 2.782293  2585.276       19.99395  2633.531       39.98790  2537.021       39.98790  512.9510 3.897828  503.4557 3.971342  9.495300       5.564586  
1 1 1 15 13 12 o 110.8287 1.478498  123.2611       2.306261  109.3854       4.612522  137.1367       4.612522  104.5687 2.205498  117.0887 1.969671  -12.51994      2.956996  
1 1 1 15 13 13 o 330.3564 1.955999  1093.458       9.120214  1172.819       18.24043  1014.097       18.24043  342.3678 2.663864  318.3450 2.864884  24.02286       3.911999  
1 1 1 15 13 14 o 131.3147 1.495341  172.6646       2.773231  162.3531       5.546463  182.9761       5.546463  127.3885 2.176988  135.2410 2.050586  -7.852493      2.990682  
1 1 1 15 13 15 f 152.8612 1.609070  233.7996       3.478451  233.1706       6.956903  234.4286       6.956903  152.6555 2.278629  153.0669 2.272504  -0.4114685     3.218139  
1 1 1 15 13 16 o 132.1991 1.839971  175.0900       3.435566  164.8786       6.871132  185.3014       6.871132  128.3369 2.676990  136.0612 2.525016  -7.724258      3.679943  
1 1 1 15 13 17 o 169.5604 1.757434  287.9681       4.212262  277.8187       8.424523  298.1176       8.424523  166.5675 2.528862  172.5532 2.441138  -5.985733      3.514868  
1 1 1 15 13 18 o 99.17939 2.761961  98.82137       3.873947  98.69272       7.747893  98.95004       7.747893  99.11453 3.908556  99.24425 3.903447  -0.1297150     5.523921  
1 1 1 15 13 19 o 81.24081 3.797791  67.24371       4.307562  79.46117       8.615124  55.02625       8.615124  88.76010 4.853039  73.72153 5.843018  15.03857       7.595581  
1 1 1 15 13 20 o 57.98737 6.186489  35.66127       4.869832  42.60865       9.739664  28.71390       9.739664  64.35967 7.566589  51.61506 9.789653  12.74461       12.37298  
1 1 1 15 13 21 o 127.2967 3.693461  164.5117       6.642413  156.0919       13.28483  172.9314       13.28483  123.9895 5.357236  130.6038 5.085925  -6.614273      7.386921  
1 1 1 15 13 22 o 39.13755 9.488610  16.07712       6.675768  7.919433       13.35154  24.23480       13.35154  32.77897 13.21567  45.49613 13.61914  -12.71716      18.97722  
1 1 1 15 13 23 o 33.34601 8.420425  0.1953654      6.928313  27.46547       13.85663  -27.07474      13.85663  47.19320 13.80985  19.49881 9.638585  27.69439       16.84085  
1 1 1 15 14 0  o 921.8743 9.617904  8506.396       177.2867  8506.396       177.2867  8506.396       177.2867  921.8743 9.617904  921.8743 9.617904  0.000000       0.000000  
1 1 1 15 14 1  o 445.7838 2.431364  1988.702       15.31472  2084.736       30.62943  1892.668       30.62943  456.5551 3.354407  435.0125 3.520524  21.54269       4.862729  
1 1 1 15 14 2  o 199.8303 1.330435  399.3596       3.759587  393.9513       7.519173  404.7678       7.519173  198.4770 1.894217  201.1835 1.868735  -2.706451      2.660871  
1 1 1 15 14 3  o 199.2455 1.254902  397.7490       3.526102  432.0808       7.052203  363.4172       7.052203  207.8609 1.696375  190.6300 1.849710  17.23091       2.509804  
1 1 1 15 14 4  o 450.4428 2.597449  2029.610       16.54409  2068.201       33.08818  1991.018       33.08818  454.7266 3.638250  446.1591 3.708114  8.567474       5.194898  
1 1 1 15 14 5  o 507.1884 2.786034  2573.878       19.97489  2660.863       39.94978  2486.893       39.94978  515.7635 3.872877  498.6131 4.006090  17.15042       5.572067  
1 1 1 15 14 6  o 1001.883 5.213149  10050.82       73.85754  9898.624       147.7151  10203.01       147.7151  994.2878 7.428185  1009.479 7.316404  -15.19073      10.42630  
1 1 1 15 14 7  o 507.6266 2.715758  2578.600       19.48886  2496.832       38.97771  2660.367       38.97771  499.5727 3.901106  515.6805 3.779251  -16.10779      5.431515  
1 1 1 15 14 8  o 230.1371 1.553387  530.0588       5.050902  556.7143       10.10180  503.4034       10.10180  235.9284 2.140863  224.3459 2.251390  11.58243       3.106775  
1 1 1 15 14 9  o 216.9556 1.409342  471.6447       4.312327  511.8851       8.624654  431.4042       8.624654  226.2295 1.906174  207.6817 2.076411  18.54778       2.818685  
1 1 1 15 14 10 o 466.0487 2.563042  2173.613       16.89193  2147.958       33.78386  2199.268       33.78386  463.2963 3.646032  468.8011 3.603220  -5.504730      5.126084  
1 1 1 15 14 11 o 361.8719 2.093303  1310.704       10.70696  1260.877       21.41392  1360.532       21.41392  354.9872 3.016153  368.7566 2.903530  -13.76941      4.186606  
1 1 1 15 14 12 o 144.3963 1.379863  208.6451       2.816116  216.9220       5.632232  200.3683       5.632232  147.2623 1.912313  141.5303 1.989762  5.731995       2.759727  
1 1 1 15 14 13 o 223.3780 1.534049  499.1721       4.846007  503.1937       9.692014  495.1505       9.692014  224.2782 2.160713  222.4778 2.178198  1.800369       3.068098  
1 1 1 15 14 14 o 201.8569 1.531622  409.3089       4.345681  461.2903       8.691362  357.3275       8.691362  214.7327 2.023763  188.9811 2.299533  25.75160       3.063245  
1 1 1 15 14 15 o 32.38539 5.059515  10.78796       2.601691  19.74617       5.203382  1.829761       5.203382  44.34261 5.867248  20.42816 8.244402  23.91445       10.11903  
1 1 1 15 14 16 o 29.53877 5.819568  8.024262       2.982891  0.1429501      5.965783  15.90558       5.965783  20.07965 8.524754  38.99789 7.924521  -18.91824      11.63914  
1 1 1 15 14 17 o 88.68204 2.844712  79.94243       3.497512  98.02562       6.995024  61.85925       6.995024  98.87756 3.537215  78.48653 4.456193  20.39102       5.689424  
1 1 1 15 14 18 o 96.37788 2.873975  93.35116       3.916832  94.81401       7.833663  91.88830       7.833663  97.13680 4.032284  95.61897 4.096292  1.517830       5.747949  
1 1 1 15 14 19 o 138.2396 2.432472  191.9581       4.755473  192.5823       9.510944  191.3339       9.510944  138.4654 3.434412  138.0139 3.445648  0.4515533      4.864944  
1 1 1 15 14 20 o 39.33352 7.320170  16.28678       4.669702  4.745942       9.339403  27.82761       9.339403  27.78239 11.11431  50.88466 9.529518  -23.10227      14.64034  
1 1 1 15 14 21 o 31.41150 8.342015  6.990257       5.393982  14.65715       10.78796  -0.6766303     10.78796  37.18881 12.38258  25.63419 11.18162  11.55462       16.68403  
1 1 1 15 14 22 o 45.64360 9.145249  24.09661       6.594762  13.23717       13.18952  34.95605       13.18952  36.25507 13.54049  55.03213 12.29624  -18.77706      18.29050  
1 1 1 15 14 23 o 47.35236 14.24958  28.16116       14.59044  28.16116       14.59044  ?              ?         47.35236 14.24958  ?        ?         ?              ?         
1 1 1 15 15 0  o 198.2291 4.309712  393.5320       17.06824  393.5320       17.06824  393.5320       17.06824  198.2291 4.309712  198.2291 4.309712  0.000000       0.000000  
1 1 1 15 15 1  o 404.9348 4.372709  1640.533       35.40396  1640.533       35.40396  1640.533       35.40396  404.9348 4.372709  404.9348 4.372709  0.000000       0.000000  
1 1 1 15 15 2  o 226.5499 2.989942  513.5529       13.54214  513.5529       13.54214  513.5529       13.54214  226.5499 2.989942  226.5499 2.989942  0.000000       0.000000  
1 1 1 15 15 3  o 212.6513 2.977034  452.5037       12.65584  452.5037       12.65584  452.5037       12.65584  212.6513 2.977034  212.6513 2.977034  0.000000       0.000000  
1 1 1 15 15 4  o 561.9644 6.530953  3160.502       73.38103  3160.502       73.38103  3160.502       73.38103  561.9644 6.530953  561.9644 6.530953  0.000000       0.000000  
1 1 1 15 15 5  o 557.3099 5.944624  3108.201       66.24305  3108.201       66.24305  3108.201       66.24305  557.3099 5.944624  557.3099 5.944624  0.000000       0.000000  
1 1 1 15 15 6  o 378.0404 4.421748  1430.082       33.42172  1430.082       33.42172  1430.082       33.42172  378.0404 4.421748  378.0404 4.421748  0.000000       0.000000  
1 1 1 15 15 7  o 246.2000 2.979589  606.4990       14.66668  606.4990       14.66668  606.4990       14.66668  246.2000 2.979589  246.2000 2.979589  0.000000       0.000000  
1 1 1 15 15 8  o 215.2311 2.817163  463.5585       12.12216  463.5585       12.12216  463.5585       12.12216  215.2311 2.817163  215.2311 2.817163  0.000000       0.000000  
1 1 1 15 15 9  o 554.4069 6.026534  3077.448       66.80533  3077.448       66.80533  3077.448       66.80533  554.4069 6.026534  554.4069 6.026534  0.000000       0.000000  
1 1 1 15 15 10 f 399.2448 4.539018  1595.513       36.23308  1595.513       36.23308  1595.513       36.23308  399.2448 4.539018  399.2448 4.539018  0.000000       0.000000  
1 1 1 15 15 11 o 71.47037 3.640271  51.50014       5.174792  51.50014       5.174792  51.50014       5.174792  71.47037 3.640271  71.47037 3.640271  0.000000       0.000000  
1 1 1 15 15 12 o 70.96894 3.980921  50.87116       5.613173  50.87116       5.613173  50.87116       5.613173  70.96894 3.980921  70.96894 3.980921  0.000000       0.000000  
1 1 1 15 15 13 o 340.6688 3.984777  1161.784       27.14145  1161.784       27.14145  1161.784       27.14145  340.6688 3.984777  340.6688 3.984777  0.000000       0.000000  
1 1 1 15 15 14 o 138.3228 3.096920  191.7056       8.557944  191.7056       8.557944  191.7056       8.557944  138.3228 3.096920  138.3228 3.096920  0.000000       0.000000  
1 1 1 15 15 15 o 151.9092 3.252986  231.2360       9.873084  231.2360       9.873084  231.2360       9.873084  151.9092 3.252986  151.9092 3.252986  0.000000       0.000000  
1 1 1 15 15 16 o 66.79448 6.296102  45.93462       8.272044  45.93462       8.272044  45.93462       8.272044  66.79448 6.296102  66.79448 6.296102  0.000000       0.000000  
1 1 1 15 15 17 o 57.53729 8.714430  34.89887       9.549064  34.89887       9.549064  34.89887       9.549064  57.53729 8.714430  57.53729 8.714430  0.000000       0.000000  
1 1 1 15 15 18 o 64.82403 8.564226  44.63854       10.79749  44.63854       10.79749  44.63854       10.79749  64.82403 8.564226  64.82403 8.564226  0.000000       0.000000  
1 1 1 15 15 19 o 160.2625 4.431685  258.3775       14.18065  258.3775       14.18065  258.3775       14.18065  160.2625 4.431685  160.2625 4.431685  0.000000       0.000000  
1 1 1 15 15 20 o 136.1101 5.632727  187.6267       15.27660  187.6267       15.27660  187.6267       15.27660  136.1101 5.632727  136.1101 5.632727  0.000000       0.000000  
1 1 1 15 15 21 o 66.12520 13.16936  50.30890       15.48626  50.30890       15.48626  50.30890       15.48626  66.12520 13.16936  66.12520 13.16936  0.000000       0.000000  
1 1 1 15 15 22 o 30.02417 17.45546  13.99957       16.91576  13.99957       16.91576  13.99957       16.91576  30.02417 17.45546  30.02417 17.45546  -0.000000      0.000000  
1 1 1 16 0  0  o 150.7231 2.891920  227.4335       8.710423  227.4335       8.710423  227.4335       8.710423  150.7231 2.891920  150.7231 2.891920  0.000000       0.000000  
1 1 1 16 0  1  o 207.5960 2.525696  431.1755       10.48301  431.1755       10.48301  431.1755       10.48301  207.5960 2.525696  207.5960 2.525696  0.000000       0.000000  
1 1 1 16 0  2  o 267.9082 3.216740  718.1144       17.23025  718.1144       17.23025  718.1144       17.23025  267.9082 3.216740  267.9082 3.216740  0.000000       0.000000  
1 1 1 16 0  3  f 346.4083 5.363376  1201.066       37.13842  1201.066       37.13842  1201.066       37.13842  346.4083 5.363376  346.4083 5.363376  0.000000       0.000000  
1 1 1 16 0  4  o 644.8300 7.901349  4161.429       101.8662  4161.429       101.8662  4161.429       101.8662  644.8300 7.901349  644.8300 7.901349  0.000000       0.000000  
1 1 1 16 0  5  o 240.6396 3.472805  579.4814       16.70610  579.4814       16.70610  579.4814       16.70610  240.6396 3.472805  240.6396 3.472805  0.000000       0.000000  
1 1 1 16 0  6  o 140.7415 1.988261  198.2050       5.594112  198.2050       5.594112  198.2050       5.594112  140.7415 1.988261  140.7415 1.988261  0.000000       0.000000  
1 1 1 16 0  7  o 774.0089 8.083920  5995.926       125.1099  5995.926       125.1099  5995.926       125.1099  774.0089 8.083920  774.0089 8.083920  0.000000       0.000000  
1 1 1 16 0  8  o 633.0009 6.670398  4009.921       84.42631  4009.921       84.42631  4009.921       84.42631  633.0009 6.670398  633.0009 6.670398  0.000000       0.000000  
1 1 1 16 0  9  o 611.4312 6.475437  3741.698       79.16575  3741.698       79.16575  3741.698       79.16575  611.4312 6.475437  611.4312 6.475437  0.000000       0.000000  
1 1 1 16 0  10 o 343.5417 3.844520  1180.958       26.40764  1180.958       26.40764  1180.958       26.40764  343.5417 3.844520  343.5417 3.844520  0.000000       0.000000  
1 1 1 16 0  11 o 67.13822 2.835654  45.32470       3.792941  45.32470       3.792941  45.32470       3.792941  67.13822 2.835654  67.13822 2.835654  0.000000       0.000000  
1 1 1 16 0  12 o 211.7332 2.721833  448.6249       11.52177  448.6249       11.52177  448.6249       11.52177  211.7332 2.721833  211.7332 2.721833  0.000000       0.000000  
1 1 1 16 0  13 o 44.60079 5.630635  20.13690       5.069962  20.13690       5.069962  20.13690       5.069962  44.60079 5.630635  44.60079 5.630635  0.000000       0.000000  
1 1 1 16 0  14 o 98.25163 3.462457  96.93920       6.785362  96.93920       6.785362  96.93920       6.785362  98.25163 3.462457  98.25163 3.462457  0.000000       0.000000  
1 1 1 16 0  15 o 118.5179 3.221660  140.8439       7.624003  140.8439       7.624003  140.8439       7.624003  118.5179 3.221660  118.5179 3.221660  0.000000       0.000000  
1 1 1 16 0  16 o 60.31690 6.101069  37.55774       7.223743  37.55774       7.223743  37.55774       7.223743  60.31690 6.101069  60.31690 6.101069  0.000000       0.000000  
1 1 1 16 0  17 o 276.4888 4.015690  765.8692       22.19538  765.8692       22.19538  765.8692       22.19538  276.4888 4.015690  276.4888 4.015690  0.000000       0.000000  
1 1 1 16 0  18 o 226.7675 3.929915  515.5351       17.81158  515.5351       17.81158  515.5351       17.81158  226.7675 3.929915  226.7675 3.929915  0.000000       0.000000  
1 1 1 16 0  19 o 18.62724 12.27611  -0.9339404     11.23588  -0.9339404     11.23588  -0.9339404     11.23588  18.62724 12.27611  18.62724 12.27611  0.000000       0.000000  
1 1 1 16 0  20 o 96.30122 7.256400  95.21426       13.81851  95.21426       13.81851  95.21426       13.81851  96.30122 7.256400  96.30122 7.256400  0.000000       0.000000  
1 1 1 16 0  21 o 96.71519 8.906327  97.66348       16.95388  97.66348       16.95388  97.66348       16.95388  96.71519 8.906327  96.71519 8.906327  0.000000       0.000000  
1 1 1 16 0  22 o 21.45896 14.42385  -3.630931      16.96341  -3.630931      16.96341  -3.630931      16.96341  21.45896 14.42385  21.45896 14.42385  0.000000       0.000000  
1 1 1 16 0  23 o 55.86420 18.64997  43.43776       18.51680  43.43776       18.51680  43.43776       18.51680  55.86420 18.64997  55.86420 18.64997  0.000000       0.000000  
1 1 1 16 1  0  o 755.1774 7.865160  5707.834       118.7629  5707.834       118.7629  5707.834       118.7629  755.1774 7.865160  755.1774 7.865160  -0.000000      0.000000  
1 1 1 16 1  1  o 508.7553 2.772990  2589.011       19.95106  2573.063       39.90213  2604.960       39.90213  507.1879 3.933664  510.3227 3.909499  -3.134857      5.545980  
1 1 1 16 1  2  o 742.0650 3.857714  5511.730       40.45486  5269.110       80.90973  5754.350       80.90973  725.7174 5.574466  758.4126 5.334150  -32.69519      7.715428  
1 1 1 16 1  3  f 455.8344 2.854853  2078.370       18.40244  2049.923       36.80487  2106.817       36.80487  452.7141 4.064914  458.9547 4.009641  -6.240662      5.709707  
1 1 1 16 1  4  o 455.4170 2.847123  2077.055       18.30237  1929.626       36.60475  2224.484       36.60475  439.2309 4.166914  471.6032 3.880884  -32.37231      5.694245  
1 1 1 16 1  5  o 380.3204 2.232544  1446.626       12.00780  1442.881       24.01561  1450.371       24.01561  379.8281 3.161379  380.8128 3.153204  -0.9847717     4.465088  
1 1 1 16 1  6  o 229.1508 1.352710  527.0235       4.359977  590.1741       8.719954  463.8730       8.719954  242.9301 1.794746  215.3715 2.024398  27.55853       2.705420  
1 1 1 16 1  7  o 364.7328 1.980589  1330.870       10.21140  1377.362       20.42280  1284.378       20.42280  371.1062 2.751611  358.3593 2.849486  12.74692       3.961178  
1 1 1 16 1  8  o 455.2386 2.451322  2072.900       15.78169  2067.515       31.56337  2078.284       31.56337  454.6472 3.471194  455.8300 3.462187  -1.182800      4.902645  
1 1 1 16 1  9  o 164.1581 1.139313  269.5228       2.644576  264.1717       5.289153  274.8739       5.289153  162.5282 1.627149  165.7879 1.595156  -3.259720      2.278626  
1 1 1 16 1  10 o 289.7771 1.666236  839.8792       6.828248  834.7045       13.65650  845.0540       13.65650  288.8842 2.363663  290.6700 2.349141  -1.785767      3.332472  
1 1 1 16 1  11 o 330.1915 1.861373  1095.455       8.634183  1240.711       17.26837  950.1985       17.26837  352.1873 2.451589  308.1957 2.801526  43.99155       3.722745  
1 1 1 16 1  12 o 142.8266 1.214164  204.7379       2.439681  180.6698       4.879362  228.8058       4.879362  134.4010 1.815226  151.2522 1.612989  -16.85121      2.428328  
1 1 1 16 1  13 o 283.4284 1.712306  803.7986       6.861602  782.5372       13.72320  825.0601       13.72320  279.6776 2.453397  287.1792 2.389311  -7.501556      3.424611  
1 1 1 16 1  14 o 251.9525 1.611334  635.7370       5.732297  677.0687       11.46459  594.4055       11.46459  260.1548 2.203418  243.7503 2.351709  16.40453       3.222668  
1 1 1 16 1  15 o 116.7463 1.565798  136.6174       2.577866  124.7573       5.155732  148.4775       5.155732  111.6669 2.308533  121.8257 2.116028  -10.15885      3.131597  
1 1 1 16 1  16 o 223.2252 1.636123  498.8766       5.160498  474.7276       10.32100  523.0257       10.32100  217.8161 2.369199  228.6343 2.257096  -10.81824      3.272245  
1 1 1 16 1  17 o 249.6814 1.985932  624.3296       7.009318  603.0586       14.01864  645.6006       14.01864  245.4217 2.856030  253.9410 2.760216  -8.519257      3.971863  
1 1 1 16 1  18 o 122.0829 2.426037  149.4162       4.188437  147.9724       8.376874  150.8600       8.376874  121.4916 3.447512  122.6742 3.414277  -1.182640      4.852074  
1 1 1 16 1  19 o 96.39659 2.938339  93.45122       4.002602  89.22942       8.005203  97.67300       8.005203  94.20679 4.248740  98.58640 4.059994  -4.379616      5.876678  
1 1 1 16 1  20 f 82.52350 3.873778  68.91146       4.517222  65.72844       9.034444  72.09448       9.034444  80.59494 5.604846  84.45205 5.348861  -3.857109      7.747555  
1 1 1 16 1  21 o 37.25489 8.684421  14.46655       5.365392  11.60754       10.73078  17.32555       10.73078  34.59301 12.30060  39.91677 12.26262  -5.323765      17.36884  
1 1 1 16 1  22 o 34.93159 8.659555  10.54018       5.818067  0.8100503      11.63613  20.27032       11.63613  27.33488 11.76377  42.52831 12.71083  -15.19343      17.31911  
1 1 1 16 1  23 o 59.41396 8.135310  39.89736       6.585233  38.61558       13.17047  41.17915       13.17047  58.32740 11.70251  60.50052 11.30417  -2.173122      16.27062  
1 1 1 16 1  24 o 104.6582 6.186414  118.7153       9.082094  102.5714       18.16419  134.8591       18.16419  96.94551 9.368246  112.3708 8.082253  -15.42529      12.37283  
1 1 1 16 2  0  o 386.9891 4.082784  1498.317       31.59196  1498.317       31.59196  1498.317       31.59196  386.9891 4.082784  386.9891 4.082784  0.000000       0.000000  
1 1 1 16 2  1  f 493.5439 2.682377  2439.381       18.68834  2609.010       37.37667  2269.751       37.37667  510.7287 3.659152  476.3591 3.923162  34.36960       5.364754  
1 1 1 16 2  2  o 292.6649 1.599508  858.3771       6.599527  936.6088       13.19905  780.1452       13.19905  306.0303 2.156495  279.2994 2.362886  26.73083       3.199015  
1 1 1 16 2  3  o 328.6579 2.215573  1083.004       10.25905  1191.308       20.51810  974.7002       20.51810  345.1346 2.972478  312.1813 3.286247  32.95331       4.431145  
1 1 1 16 2  4  o 1371.303 7.867791  18832.38       152.5754  19024.46       305.1507  18640.31       305.1507  1378.307 11.06977  1364.300 11.18342  14.00696       15.73558  
1 1 1 16 2  5  o 386.5741 2.214225  1495.930       12.08881  1406.295       24.17762  1585.564       24.17762  374.9807 3.223849  398.1675 3.036111  -23.18683      4.428450  
1 1 1 16 2  6  o 397.9300 2.165915  1586.974       12.15075  1442.309       24.30151  1731.640       24.30151  379.7527 3.199649  416.1072 2.920102  -36.35452      4.331830  
1 1 1 16 2  7  o 202.9727 1.216030  412.5777       3.483216  443.4788       6.966432  381.6767       6.966432  210.5848 1.654068  195.3606 1.782968  15.22423       2.432060  
1 1 1 16 2  8  o 489.3635 2.621407  2395.533       18.14036  2360.382       36.28072  2430.685       36.28072  485.7719 3.734338  492.9550 3.679922  -7.183075      5.242815  
1 1 1 16 2  9  o 262.7236 1.510844  691.1254       5.603642  738.3751       11.20728  643.8756       11.20728  271.7159 2.062317  253.7313 2.208495  17.98460       3.021688  
1 1 1 16 2  10 o 145.6234 1.114796  212.3190       2.291966  198.0907       4.583931  226.5472       4.583931  140.7381 1.628533  150.5087 1.522813  -9.770615      2.229592  
1 1 1 16 2  11 o 319.0926 1.842238  1018.791       8.310163  986.0886       16.62033  1051.493       16.62033  313.9684 2.646815  324.2169 2.563150  -10.24847      3.684477  
1 1 1 16 2  12 o 167.5995 1.250753  281.2924       2.959066  301.0338       5.918132  261.5510       5.918132  173.4890 1.705622  161.7100 1.829859  11.77892       2.501506  
1 1 1 16 2  13 o 455.5034 2.527577  2076.774       16.28201  2067.868       32.56403  2085.679       32.56403  454.5258 3.582197  456.4810 3.566854  -1.955200      5.055154  
1 1 1 16 2  14 o 239.1011 1.574244  572.6484       5.312977  531.8219       10.62595  613.4749       10.62595  230.5636 2.304344  247.6386 2.145456  -17.07500      3.148489  
1 1 1 16 2  15 o 213.1638 1.568269  455.5676       4.712587  413.6021       9.425174  497.5329       9.425174  203.3204 2.317814  223.0072 2.113199  -19.68689      3.136538  
1 1 1 16 2  16 o 210.3698 1.701205  443.1595       5.055667  419.2248       10.11133  467.0941       10.11133  204.6811 2.470022  216.0585 2.339953  -11.37740      3.402409  
1 1 1 16 2  17 o 176.4945 1.890516  311.9027       4.717352  303.1590       9.434704  320.6465       9.434704  174.0174 2.710850  178.9716 2.635811  -4.954132      3.781033  
1 1 1 16 2  18 o 85.20806 2.939913  73.35244       3.507041  61.43994       7.014082  85.26494       7.014082  78.21782 4.483686  92.19830 3.803802  -13.98048      5.879826  
1 1 1 16 2  19 o 114.3669 2.600513  131.3949       4.202732  125.3958       8.405463  137.3941       8.405463  111.7441 3.761032  116.9896 3.592397  -5.245514      5.201027  
1 1 1 16 2  20 o 170.2555 2.214788  291.3131       5.322507  270.5949       10.64501  312.0314       10.64501  164.1711 3.242049  176.3400 3.018321  -12.16891      4.429576  
1 1 1 16 2  21 o 29.61687 8.620209  4.035956       5.841892  5.899073       11.68378  2.172841       11.68378  30.82747 12.39009  28.40627 11.98823  2.421200       17.24042  
1 1 1 16 2  22 o 65.70026 7.095538  45.80120       6.585233  48.18370       13.17047  43.41870       13.17047  67.51341 9.753963  63.88709 10.30761  3.626320       14.19108  
1 1 1 16 2  23 o 79.51863 6.777663  68.99722       7.342868  49.09858       14.68574  88.89588       14.68574  67.00669 10.95841  92.03057 7.978727  -25.02388      13.55533  
1 1 1 16 2  24 o 26.31162 12.34381  -10.54018      16.53456  -10.54018      16.53456  ?              ?         26.31162 12.34381  ?        ?         ?              ?         
1 1 1 16 3  0  o 65.31356 1.922410  42.77066       2.506391  42.77066       2.506391  42.77066       2.506391  65.31356 1.922410  65.31356 1.922410  0.000000       0.000000  
1 1 1 16 3  1  o 987.2151 5.154840  9755.579       71.95152  9999.356       143.9030  9511.802       143.9030  999.5618 7.198307  974.8683 7.380641  24.69348       10.30968  
1 1 1 16 3  2  f 293.4104 1.752417  861.3599       7.266628  824.7171       14.53326  898.0028       14.53326  287.1661 2.530462  299.6547 2.425001  -12.48859      3.504835  
1 1 1 16 3  3  o 1255.296 6.996098  15777.97       124.1759  15429.46       248.3519  16126.48       248.3519  1241.415 10.00278  1269.178 9.783966  -27.76343      13.99220  
1 1 1 16 3  4  f 514.2400 2.970735  2644.981       21.60452  2647.578       43.20904  2642.384       43.20904  514.4925 4.199190  513.9875 4.203316  0.5049438      5.941470  
1 1 1 16 3  5  o 181.7933 1.264077  331.1581       3.240201  360.6154       6.480402  301.7009       6.480402  189.8952 1.706311  173.6915 1.865492  16.20370       2.528153  
1 1 1 16 3  6  o 277.7171 1.668438  771.3967       6.551878  786.4254       13.10376  756.3678       13.10376  280.4229 2.336428  275.0114 2.382403  5.411560       3.336875  
1 1 1 16 3  7  o 372.2822 2.000424  1386.649       10.52589  1332.295       21.05178  1441.003       21.05178  364.9821 2.883947  379.5824 2.773018  -14.60031      4.000847  
1 1 1 16 3  8  o 284.0941 1.593849  807.5296       6.399398  773.7601       12.79880  841.2993       12.79880  278.1507 2.300695  290.0375 2.206404  -11.88678      3.187697  
1 1 1 16 3  9  o 329.4460 1.827529  1086.306       8.505528  1028.487       17.01106  1144.125       17.01106  320.6709 2.652417  338.2212 2.514783  -17.55026      3.655058  
1 1 1 16 3  10 o 242.6999 1.447569  590.5172       4.950837  533.1561       9.901674  647.8782       9.901674  230.8826 2.144310  254.5172 1.945188  -23.63458      2.895137  
1 1 1 16 3  11 o 456.6453 2.494599  2087.261       16.10094  2006.647       32.20188  2167.876       32.20188  447.8185 3.595417  465.4721 3.459056  -17.65356      4.989197  
1 1 1 16 3  12 o 196.3717 1.328005  386.0223       3.683347  363.5887       7.366693  408.4560       7.366693  190.6597 1.931895  202.0838 1.822683  -11.42404      2.656011  
1 1 1 16 3  13 o 94.06610 1.599785  88.60044       2.125191  94.02301       4.250381  83.17787       4.250381  96.94843 2.192084  91.18378 2.330667  5.764641       3.199569  
1 1 1 16 3  14 o 153.9880 1.319470  237.7212       2.863766  260.1977       5.727532  215.2447       5.727532  161.2861 1.775581  146.6898 1.952259  14.59628       2.638940  
1 1 1 16 3  15 o 149.7335 1.500957  224.5269       3.173491  238.8505       6.346982  210.2033       6.346982  154.5165 2.053820  144.9504 2.189363  9.566071       3.001914  
1 1 1 16 3  16 o 178.9192 1.572653  320.8371       3.969247  294.5724       7.938493  347.1018       7.938493  171.5794 2.313359  186.2590 2.131036  -14.67963      3.145305  
1 1 1 16 3  17 o 162.6291 1.854323  264.7673       4.264677  267.0974       8.529353  262.4373       8.529353  163.3455 2.610832  161.9127 2.633935  1.432755       3.708647  
1 1 1 16 3  18 o 65.73709 3.724610  43.57119       3.449862  47.85968       6.899723  39.28268       6.899723  68.99895 4.999876  62.47523 5.521967  6.523720       7.449220  
1 1 1 16 3  19 o 143.8391 2.405772  207.6159       4.893657  205.7623       9.787313  209.4695       9.787313  143.1948 3.417482  144.4835 3.387001  -1.288651      4.811544  
1 1 1 16 3  20 o 125.4016 3.033900  158.8223       5.355862  141.4443       10.71172  176.2003       10.71172  118.4727 4.520758  132.3305 4.047338  -13.85784      6.067800  
1 1 1 16 3  21 o 119.1559 3.236624  143.6410       5.441632  154.7292       10.88326  132.5528       10.88326  123.8086 4.395196  114.5031 4.752390  9.305588       6.473249  
1 1 1 16 3  22 o 65.29700 7.003818  46.16811       6.180207  36.28072       12.36041  56.05548       12.36041  57.29293 11.18605  73.30108 8.431264  -16.00814      14.00764  
1 1 1 16 3  23 o 75.88107 6.247203  62.69790       6.370807  41.53175       12.74161  83.86404       12.74161  61.93415 10.28642  89.82798 7.092230  -27.89383      12.49441  
1 1 1 16 3  24 o 71.36959 8.452614  60.51553       7.971848  81.51012       15.94370  39.52093       15.94370  86.51448 9.214467  56.22470 14.17323  30.28978       16.90523  
1 1 1 16 4  0  f 507.7473 5.384360  2579.515       54.66410  2579.515       54.66410  2579.515       54.66410  507.7473 5.384360  507.7473 5.384360  0.000000       0.000000  
1 1 1 16 4  1  o 114.3682 0.9588292 130.9280       1.548625  138.9665       3.097251  122.8894       3.097251  117.8826 1.313702  110.8539 1.396997  7.028671       1.917658  
1 1 1 16 4  2  o 439.8851 2.403206  1935.482       14.94781  1974.893       29.89562  1896.071       29.89562  444.3648 3.363861  435.4053 3.433080  8.959503       4.806412  
1 1 1 16 4  3  o 1096.601 5.654366  12035.49       87.67603  11792.14       175.3521  12278.84       175.3521  1085.506 8.076977  1107.697 7.915166  -22.19116      11.30873  
1 1 1 16 4  4  o 351.8618 1.990984  1238.257       9.906439  1219.526       19.81288  1256.988       19.81288  349.2001 2.836895  354.5235 2.794297  -5.323456      3.981968  
1 1 1 16 4  5  o 204.7055 1.271416  422.4937       3.635697  346.6349       7.271393  498.3524       7.271393  186.1768 1.952820  223.2343 1.628646  -37.05754      2.542832  
1 1 1 16 4  6  o 263.3733 1.587747  693.7366       5.913367  703.6288       11.82673  683.8445       11.82673  265.2513 2.229346  261.4953 2.261367  3.755951       3.175494  
1 1 1 16 4  7  o 241.9890 1.417907  585.7569       4.850772  568.1407       9.701544  603.3731       9.701544  238.3492 2.035154  245.6289 1.974838  -7.279770      2.835813  
1 1 1 16 4  8  o 222.8979 1.356639  498.1571       4.259912  447.6339       8.519823  548.6804       8.519823  211.5647 2.013527  234.2312 1.818678  -22.66655      2.713279  
1 1 1 16 4  9  f 149.5833 1.093744  227.3525       2.258611  284.0132       4.517222  170.6919       4.517222  168.5228 1.340241  130.6438 1.728831  37.87897       2.187488  
1 1 1 16 4  10 o 104.9444 1.134883  110.2431       1.682046  103.6293       3.364091  116.8569       3.364091  101.7933 1.652413  108.0955 1.556074  -6.302208      2.269765  
1 1 1 16 4  11 o 413.5585 2.294902  1711.484       13.41825  1665.006       26.83649  1757.962       26.83649  407.9392 3.289275  419.1777 3.201088  -11.23849      4.589803  
1 1 1 16 4  12 o 280.6442 1.730193  789.0223       6.852073  729.0739       13.70415  848.9708       13.70415  269.9637 2.538146  291.3247 2.352039  -21.36102      3.460387  
1 1 1 16 4  13 o 29.32721 3.804008  8.896258       1.524801  11.00715       3.049601  6.785362       3.049601  33.15128 4.599523  25.50315 6.060223  7.648125       7.608016  
1 1 1 16 4  14 o 338.8365 1.986804  1148.828       9.520474  1145.202       19.04095  1152.454       19.04095  338.3014 2.814199  339.3716 2.805324  -1.070190      3.973608  
1 1 1 16 4  15 o 246.6443 1.812771  610.2490       6.299332  549.3189       12.59866  671.1791       12.59866  234.2924 2.688662  258.9961 2.432211  -24.70361      3.625542  
1 1 1 16 4  16 o 146.2979 1.718615  214.2202       3.554691  220.2575       7.109383  208.1829       7.109383  148.3612 2.395971  144.2345 2.464522  4.126678       3.437230  
1 1 1 16 4  17 o 106.7709 2.266674  114.2123       3.421271  110.5385       6.842543  117.8861       6.842543  105.0504 3.256790  108.4913 3.153500  -3.440826      4.533348  
1 1 1 16 4  18 o 90.23151 2.921648  81.73884       3.726231  84.80750       7.452463  78.67018       7.452463  91.93195 4.053249  88.53107 4.208953  3.400879       5.843297  
1 1 1 16 4  19 o 47.13248 5.956664  23.09120       3.873947  21.00413       7.747893  25.17827       7.747893  44.53572 9.013435  49.72923 7.790080  -5.193508      11.91333  
1 1 1 16 4  20 o 148.3898 2.652622  221.7680       5.551227  240.7088       11.10245  202.8271       11.10245  154.7720 3.586714  142.0077 3.909103  12.76428       5.305243  
1 1 1 16 4  21 o 63.33817 5.218493  41.27921       4.655407  37.10031       9.310814  45.45812       9.310814  60.03928 7.753934  66.63705 6.986214  -6.597771      10.43699  
1 1 1 16 4  22 o 28.94746 7.926380  1.915531       5.417807  -10.73078      10.83561  14.56185       10.83561  20.93576 9.864292  36.95917 12.40990  -16.02341      15.85276  
1 1 1 16 4  23 o 85.14747 5.794702  76.36392       6.975962  74.44839       13.95192  78.27946       13.95192  84.02264 8.302480  86.27230 8.085982  -2.249664      11.58940  
1 1 1 16 4  24 o 64.66043 8.421736  49.12241       7.433403  60.31540       14.86681  37.92942       14.86681  73.79833 10.07259  55.52253 13.49983  18.27581       16.84347  
1 1 1 16 5  0  o 417.3420 4.500811  1742.599       37.55774  1742.599       37.55774  1742.599       37.55774  417.3420 4.500811  417.3420 4.500811  0.000000       0.000000  
1 1 1 16 5  1  o 470.6343 2.543606  2216.984       16.91099  2337.148       33.82198  2096.820       33.82198  483.4005 3.498340  457.8682 3.693419  25.53229       5.087212  
1 1 1 16 5  2  o 488.9029 2.707835  2390.744       18.72169  2368.063       37.44339  2413.426       37.44339  486.5833 3.847583  491.2225 3.811245  -4.639221      5.415670  
1 1 1 16 5  3  o 344.1127 1.988097  1184.803       9.668188  1236.318       19.33638  1133.289       19.33638  351.5978 2.749786  336.6276 2.872072  14.97021       3.976195  
1 1 1 16 5  4  o 557.9603 3.006318  3116.573       23.69159  2934.202       47.38318  3298.944       47.38318  541.6177 4.374228  574.3030 4.125278  -32.68530      6.012636  
1 1 1 16 5  5  o 604.6772 3.223841  3657.563       27.56553  3718.836       55.13107  3596.290       55.13107  609.7438 4.520839  599.6106 4.597240  10.13318       6.447682  
1 1 1 16 5  6  f 892.3779 4.699287  7968.312       59.30521  8002.021       118.6104  7934.605       118.6104  894.2666 6.631716  890.4893 6.659845  3.777283       9.398574  
1 1 1 16 5  7  o 367.9100 2.011140  1353.761       10.46395  1359.989       20.92789  1347.533       20.92789  368.7564 2.837631  367.0637 2.850717  1.692749       4.022279  
1 1 1 16 5  8  o 448.6152 2.426289  2013.690       15.38619  1943.091       30.77238  2084.288       30.77238  440.7468 3.490937  456.4837 3.370589  -15.73697      4.852578  
1 1 1 16 5  9  o 576.7494 3.068219  3328.196       25.02579  3321.588       50.05158  3334.806       50.05158  576.1765 4.343425  577.3224 4.334804  -1.145935      6.136437  
1 1 1 16 5  10 o 120.4067 1.046618  144.9942       1.782111  146.5619       3.564222  143.4265       3.564222  121.0577 1.472117  119.7557 1.488122  1.301994       2.093236  
1 1 1 16 5  11 o 237.3573 1.455850  563.7140       4.884127  541.7617       9.768253  585.6664       9.768253  232.7329 2.098597  241.9816 2.018388  -9.248688      2.911700  
1 1 1 16 5  12 o 421.0535 2.350855  1774.296       13.99481  1727.990       27.98962  1820.602       27.98962  415.5546 3.367743  426.5523 3.280913  -10.99774      4.701711  
1 1 1 16 5  13 o 183.4692 1.337219  336.7427       3.468921  328.9948       6.937842  344.4906       6.937842  181.3577 1.912751  185.5807 1.869225  -4.223007      2.674438  
1 1 1 16 5  14 o 56.55542 2.590573  32.85469       1.991771  43.20904       3.983541  22.50034       3.983541  65.70959 3.031173  47.40126 4.201937  18.30833       5.181147  
1 1 1 16 5  15 o 224.5004 1.604397  504.2658       5.093787  506.4530       10.18757  502.0787       10.18757  224.9875 2.264031  224.0133 2.273877  0.9742126      3.208793  
1 1 1 16 5  16 o 266.4472 1.849160  710.9478       6.961668  745.5703       13.92334  676.3253       13.92334  272.9442 2.550582  259.9501 2.678079  12.99414       3.698321  
1 1 1 16 5  17 o 124.1330 2.027607  154.2908       3.559456  154.8721       7.118913  153.7094       7.118913  124.3672 2.862055  123.8988 2.872873  0.4683151      4.055213  
1 1 1 16 5  18 o 118.6316 2.082651  141.2823       3.483216  128.4644       6.966432  154.1002       6.966432  113.2292 3.076252  124.0340 2.808276  -10.80476      4.165302  
1 1 1 16 5  19 o 66.19775 4.189471  44.32405       3.916832  41.70330       7.833663  46.94480       7.833663  64.21827 6.099248  68.17725 5.745071  -3.958977      8.378942  
1 1 1 16 5  20 o 26.32199 7.167825  4.407627       3.897772  8.024263       7.795544  0.7909903      7.795544  29.52950 10.48576  23.11448 9.775462  6.415022       14.33565  
1 1 1 16 5  21 o 49.10948 8.832651  26.90320       6.170677  29.85750       12.34135  23.94890       12.34135  51.88465 12.10332  46.33431 12.86750  5.550343       17.66530  
1 1 1 16 5  22 o 43.16629 8.533043  20.98030       5.484517  16.77281       10.96903  25.18780       10.96903  39.02183 12.46773  47.31075 11.65363  -8.288925      17.06609  
1 1 1 16 5  23 o 32.10473 9.085377  -0.6289808     7.538233  -21.45204      15.07647  20.19408       15.07647  22.26639 10.80019  41.94307 14.61274  -19.67668      18.17075  
1 1 1 16 5  24 o 36.63115 14.17167  14.33313       14.80010  14.33313       14.80010  ?              ?         36.63115 14.17167  ?        ?         ?              ?         
1 1 1 16 6  0  o 624.7128 6.542962  3905.014       81.72931  3905.014       81.72931  3905.014       81.72931  624.7128 6.542962  624.7128 6.542962  0.000000       0.000000  
1 1 1 16 6  1  o 453.8143 2.464332  2063.579       15.77216  1886.731       31.54431  2240.427       31.54431  434.3296 3.631380  473.2989 3.332388  -38.96930      4.928664  
1 1 1 16 6  2  o 591.4453 3.113895  3498.870       26.04550  3490.879       52.09100  3506.860       52.09100  590.7697 4.408740  592.1208 4.398680  -1.351074      6.227791  
1 1 1 16 6  3  o 1098.106 5.670334  12067.51       88.05724  12117.50       176.1145  12017.53       176.1145  1100.382 8.002425  1095.830 8.035666  4.551880       11.34067  
1 1 1 16 6  4  o 756.4446 3.997471  5725.121       42.75636  5849.269       85.51272  5600.974       85.51272  764.6506 5.591621  748.2386 5.714269  16.41199       7.994942  
1 1 1 16 6  5  o 558.4968 3.082991  3122.077       24.32533  3285.869       48.65067  2958.285       48.65067  573.1605 4.244071  543.8332 4.472940  29.32733       6.165982  
1 1 1 16 6  6  o 210.1090 1.459217  442.1159       4.326622  408.7514       8.653244  475.4804       8.653244  202.1692 2.140100  218.0488 1.984244  -15.87964      2.918433  
1 1 1 16 6  7  o 220.8524 1.340718  488.0839       4.183672  512.1615       8.367344  464.0063       8.367344  226.3035 1.848700  215.4014 1.942268  10.90213       2.681435  
1 1 1 16 6  8  o 457.8214 2.466216  2097.011       15.96276  2157.212       31.92551  2036.810       31.92551  464.3961 3.437315  451.2467 3.537479  13.14944       4.932432  
1 1 1 16 6  9  o 474.1123 2.576657  2255.633       17.19689  2006.418       34.39378  2504.847       34.39378  447.8301 3.840048  500.3945 3.436667  -52.56442      5.153315  
1 1 1 16 6  10 o 291.1026 1.680846  847.6796       6.918783  863.8378       13.83757  831.5214       13.83757  293.8779 2.354305  288.3272 2.399629  5.550659       3.361692  
1 1 1 16 6  11 o 56.98712 1.698266  32.50208       1.367556  30.99157       2.735111  34.01258       2.735111  55.66182 2.456901  58.31242 2.345222  -2.650600      3.396532  
1 1 1 16 6  12 o 92.69896 1.331603  86.16076       1.739226  77.62188       3.478451  94.69965       3.478451  88.09325 1.974301  97.30466 1.787402  -9.211411      2.663207  
1 1 1 16 6  13 o 431.3286 2.448655  1862.344       14.93352  1818.906       29.86703  1905.782       29.86703  426.2932 3.503109  436.3639 3.422262  -10.07068      4.897311  
1 1 1 16 6  14 o 198.6299 1.443285  395.5475       4.040722  358.2900       8.081444  432.8051       8.081444  189.2513 2.135109  208.0085 1.942575  -18.75726      2.886571  
1 1 1 16 6  15 o 144.2897 1.493534  208.4164       3.044836  218.7517       6.089673  198.0811       6.089673  147.8711 2.059115  140.7082 2.163936  7.162872       2.987068  
1 1 1 16 6  16 o 194.5026 1.700180  378.7033       4.674467  392.0644       9.348933  365.3422       9.348933  197.9373 2.361590  191.0679 2.446495  6.869339       3.400359  
1 1 1 16 6  17 o 70.92505 3.031332  50.98076       2.992421  61.34463       5.984842  40.61688       5.984842  78.23127 3.825096  63.61883 4.703672  14.61244       6.062664  
1 1 1 16 6  18 o 54.09426 4.749007  29.82891       3.578516  23.95843       7.157033  35.69939       7.157033  48.66810 7.352899  59.52042 6.012249  -10.85232      9.498013  
1 1 1 16 6  19 o 30.32465 7.396784  8.734248       3.859652  8.186274       7.719304  9.282224       7.719304  29.73296 10.44680  30.91633 10.47445  -1.183367      14.79357  
1 1 1 16 6  20 o 84.91166 4.062614  73.08084       4.869832  68.11094       9.739664  78.05073       9.739664  81.98515 5.939895  87.83817 5.544096  -5.853012      8.125229  
1 1 1 16 6  21 o 48.57599 8.512772  26.22657       5.846657  22.53846       11.69331  29.91468       11.69331  45.03661 12.53101  52.11538 11.52575  -7.078766      17.02554  
1 1 1 16 6  22 o 36.44582 9.054040  13.74703       5.799007  12.85597       11.59801  14.63809       11.59801  35.68774 12.77814  37.20389 12.83050  -1.516144      18.10808  
1 1 1 16 6  23 o 85.85762 5.699533  78.11744       6.856837  89.67733       13.71367  66.55755       13.71367  92.58963 7.405622  79.12560 8.665764  13.46403       11.39907  
1 1 1 16 6  24 o 99.06215 6.180719  106.6026       8.643713  99.89349       17.28743  113.3117       17.28743  95.67583 9.034375  102.4485 8.437133  -6.772636      12.36144  
1 1 1 16 7  0  o 905.7292 9.402024  8210.394       170.2726  8210.394       170.2726  8210.394       170.2726  905.7292 9.402024  905.7292 9.402024  0.000000       0.000000  
1 1 1 16 7  1  o 344.6805 1.887962  1189.111       9.191689  1256.865       18.38338  1121.357       18.38338  354.5090 2.592794  334.8521 2.745000  19.65692       3.775925  
1 1 1 16 7  2  o 791.2637 4.170278  6263.705       46.66366  6337.081       93.32732  6190.328       93.32732  795.9003 5.863003  786.6270 5.932121  9.273376       8.340555  
1 1 1 16 7  3  o 557.5018 2.925794  3108.768       23.06738  3088.665       46.13475  3128.872       46.13475  555.6988 4.151057  559.3049 4.124294  -3.606079      5.851587  
1 1 1 16 7  4  o 786.0710 4.138794  6183.429       45.99179  5983.689       91.98359  6383.168       91.98359  773.3661 5.946963  798.7760 5.757785  -25.40985      8.277588  
1 1 1 16 7  5  o 642.7556 3.370008  4132.867       30.62943  4058.495       61.25886  4207.240       61.25886  636.9702 4.808613  648.5411 4.722821  -11.57092      6.740015  
1 1 1 16 7  6  o 677.0144 3.589814  4585.352       34.36996  4557.849       68.73991  4612.855       68.73991  674.9832 5.091973  679.0457 5.061509  -4.062500      7.179628  
1 1 1 16 7  7  o 257.1122 1.491141  662.2305       5.408277  607.9761       10.81655  716.4847       10.81655  246.5615 2.193480  267.6629 2.020556  -21.10139      2.982281  
1 1 1 16 7  8  o 426.5395 2.293933  1820.626       13.82804  1743.257       27.65607  1897.995       27.65607  417.4701 3.312342  435.6089 3.174415  -18.13882      4.587866  
1 1 1 16 7  9  o 333.3393 1.874161  1113.462       8.810489  1209.167       17.62098  1017.757       17.62098  347.6948 2.533972  318.9838 2.762049  28.71100       3.748323  
1 1 1 16 7  10 o 299.3156 1.718784  896.4684       7.271393  931.4244       14.54279  861.5123       14.54279  305.1549 2.382854  293.4762 2.477677  11.67868       3.437568  
1 1 1 16 7  11 o 64.55976 1.639774  41.70806       1.496211  43.39964       2.992421  40.01649       2.992421  65.86985 2.271465  63.24968 2.365562  2.620174       3.279549  
1 1 1 16 7  12 o 214.9391 1.414065  462.1194       4.298031  455.8391       8.596063  468.3997       8.596063  213.4781 2.013336  216.4000 1.986151  -2.921890      2.828130  
1 1 1 16 7  13 o 192.6439 1.395401  371.4796       3.797706  390.9398       7.595412  352.0193       7.595412  197.6947 1.920995  187.5930 2.024439  10.10167       2.790802  
1 1 1 16 7  14 o 237.3505 1.568795  563.9523       5.260562  593.2046       10.52112  534.7000       10.52112  243.5128 2.160282  231.1882 2.275446  12.32452       3.137590  
1 1 1 16 7  15 o 165.2393 1.582393  273.1823       3.697641  270.3281       7.395282  276.0366       7.395282  164.3756 2.249508  166.1029 2.226115  -1.727341      3.164786  
1 1 1 16 7  16 o 175.4192 1.687830  309.5155       4.155082  353.5727       8.310163  265.4583       8.310163  187.9769 2.210422  162.8615 2.551298  25.11539       3.375660  
1 1 1 16 7  17 o 44.31201 4.924407  19.80335       3.082956  20.80400       6.165912  18.80270       6.165912  45.44110 6.784510  43.18291 7.139297  2.258190       9.848814  
1 1 1 16 7  18 o 69.58862 3.513726  49.20341       3.402211  39.13020       6.804423  59.27663       6.804423  62.35094 5.456553  76.82631 4.428446  -14.47537      7.027453  
1 1 1 16 7  19 o 57.39810 4.919779  33.54085       3.978776  30.26729       7.957553  36.81440       7.957553  54.54648 7.294287  60.24973 6.603809  -5.703243      9.839559  
1 1 1 16 7  20 o 100.2070 3.245570  101.3754       4.588697  109.2996       9.177394  93.45122       9.177394  104.1609 4.405394  96.25304 4.767327  7.907837       6.491140  
1 1 1 16 7  21 o 92.28167 3.941012  86.48002       5.141437  83.86404       10.28287  89.09601       10.28287  90.86428 5.658370  93.69906 5.487181  -2.834778      7.882025  
1 1 1 16 7  22 o 32.52489 9.254824  5.713237       6.856837  -2.420621      13.71367  13.84710       13.71367  27.65286 12.29225  37.39692 13.83862  -9.744053      18.50965  
1 1 1 16 7  23 o 57.31344 8.927238  38.69658       7.071262  45.70590       14.14252  31.68726       14.14252  63.28224 11.60733  51.34463 13.56658  11.93761       17.85448  
1 1 1 16 8  0  o 337.9221 4.086368  1142.524       27.60842  1142.524       27.60842  1142.524       27.60842  337.9221 4.086368  337.9221 4.086368  0.000000       0.000000  
1 1 1 16 8  1  o 277.4327 1.611136  770.7437       6.308862  715.0172       12.61772  826.4705       12.61772  267.3895 2.359428  287.4760 2.194570  -20.08652      3.222272  
1 1 1 16 8  2  o 714.4135 3.762831  5105.771       38.01518  5165.348       76.03036  5046.194       76.03036  718.5831 5.290298  710.2438 5.352413  8.339233       7.525661  
1 1 1 16 8  3  o 455.8022 2.594495  2078.623       16.71563  2155.239       33.43126  2002.006       33.43126  464.2068 3.600901  447.3976 3.736191  16.80923       5.188989  
1 1 1 16 8  4  o 492.5935 2.661725  2427.492       18.53586  2352.834       37.07171  2502.150       37.07171  485.0154 3.821705  500.1715 3.705900  -15.15610      5.323450  
1 1 1 16 8  5  o 610.6010 3.294384  3732.798       28.40894  3508.099       56.81788  3957.496       56.81788  592.2012 4.797177  629.0007 4.516520  -36.79950      6.588768  
1 1 1 16 8  6  o 510.8056 2.738972  2612.508       19.75570  2779.330       39.51140  2445.685       39.51140  527.1349 3.747750  494.4762 3.995278  32.65875       5.477944  
1 1 1 16 8  7  o 308.3687 1.809631  951.8711       7.881313  1008.456       15.76263  895.2867       15.76263  317.5435 2.481964  299.1938 2.634183  18.34961       3.619263  
1 1 1 16 8  8  o 568.8063 3.040866  3237.061       24.45875  3289.223       48.91751  3184.899       48.91751  573.3915 4.265629  564.2210 4.334960  9.170532       6.081732  
1 1 1 16 8  9  o 223.6911 1.396346  501.1733       4.407627  462.9200       8.815253  539.4268       8.815253  215.1406 2.048719  232.2416 1.897863  -17.10101      2.792693  
1 1 1 16 8  10 o 148.0332 1.110755  219.1662       2.325321  220.8388       4.650642  217.4937       4.650642  148.5982 1.564838  147.4683 1.576827  1.129822       2.221509  
1 1 1 16 8  11 o 335.3687 1.899682  1126.270       8.996324  1055.038       17.99265  1197.502       17.99265  324.7487 2.770242  345.9886 2.600179  -21.23990      3.799365  
1 1 1 16 8  12 o 211.4307 1.508491  447.9721       4.498162  486.1923       8.996324  409.7520       8.996324  220.4692 2.040268  202.3923 2.222497  18.07687       3.016983  
1 1 1 16 8  13 o 115.3143 1.445258  133.1294       2.353911  125.3767       4.707822  140.8820       4.707822  111.9528 2.102592  118.6759 1.983479  -6.723061      2.890516  
1 1 1 16 8  14 o 140.1895 1.478267  198.1097       2.897121  232.5797       5.794242  163.6397       5.794242  152.4836 1.899957  127.8954 2.265228  24.58819       2.956534  
1 1 1 16 8  15 o 356.6050 2.221762  1273.028       11.20252  1244.113       22.40504  1301.941       22.40504  352.5509 3.177561  360.6591 3.106125  -8.108124      4.443524  
1 1 1 16 8  16 o 57.75367 3.321746  33.57897       2.696991  29.38100       5.393982  37.77693       5.393982  54.11929 4.983419  61.38804 4.393350  -7.268745      6.643492  
1 1 1 16 8  17 o 96.48116 2.390922  93.50363       3.249731  102.9431       6.499463  84.06416       6.499463  101.3730 3.205716  91.58928 3.548156  9.783745       4.781844  
1 1 1 16 8  18 o 31.20347 6.240002  8.067149       3.611871  19.10766       7.223743  -2.973361      7.223743  42.57421 8.783562  19.83272 8.865637  22.74149       12.48000  
1 1 1 16 8  19 o 169.9366 2.138004  291.1607       5.098552  249.6765       10.19710  332.6448       10.19710  157.7309 3.232438  182.1424 2.799213  -24.41151      4.276009  
1 1 1 16 8  20 o 106.7928 3.051505  114.8985       4.607757  112.3492       9.215513  117.4478       9.215513  105.5992 4.363439  107.9863 4.266982  -2.387123      6.103010  
1 1 1 16 8  21 o 48.51517 7.358247  25.55470       5.017547  32.50684       10.03509  18.60257       10.03509  55.90052 8.975850  41.12981 11.66230  14.77071       14.71649  
1 1 1 16 8  22 o 55.33175 8.287819  34.79404       6.480402  20.94695       12.96080  48.64114       12.96080  42.93815 13.53487  67.72535 9.568651  -24.78720      16.57564  
1 1 1 16 8  23 o 56.53752 8.005080  37.11460       6.261212  23.17697       12.52242  51.05223       12.52242  44.13001 13.18531  68.94504 9.081454  -24.81503      16.01016  
1 1 1 16 9  0  o 88.84082 2.627835  79.13715       4.660172  79.13715       4.660172  79.13715       4.660172  88.84082 2.627835  88.84082 2.627835  0.000000       0.000000  
1 1 1 16 9  1  o 460.3206 2.469561  2120.898       16.05806  2003.245       32.11611  2238.550       32.11611  447.5412 3.588062  473.1000 3.394220  -25.55881      4.939121  
1 1 1 16 9  2  o 183.4360 1.249207  336.5330       3.240201  343.0992       6.480402  329.9668       6.480402  185.2258 1.749325  181.6462 1.783798  3.579544       2.498415  
1 1 1 16 9  3  o 435.3959 2.466745  1896.619       15.18130  1965.458       30.36259  1827.778       30.36259  443.3014 3.424600  427.4904 3.551260  15.81091       4.933491  
1 1 1 16 9  4  o 555.3007 2.990168  3088.474       23.43428  3316.051       46.86856  2860.898       46.86856  575.7920 4.069921  534.8094 4.381800  40.98254       5.980337  
1 1 1 16 9  5  o 555.9498 2.989810  3091.700       23.50575  3057.435       47.01151  3125.965       47.01151  552.8681 4.251603  559.0314 4.204729  -6.163330      5.979621  
1 1 1 16 9  6  o 341.0688 1.936322  1167.807       9.286988  1310.719       18.57398  1024.895       18.57398  362.0193 2.565329  320.1182 2.901113  41.90118       3.872644  
1 1 1 16 9  7  o 247.1757 1.504607  611.3021       5.255797  637.7479       10.51159  584.8563       10.51159  252.5253 2.081295  241.8261 2.173379  10.69916       3.009214  
1 1 1 16 9  8  o 279.3225 1.616564  781.5366       6.370807  719.8203       12.74161  843.2529       12.74161  268.2750 2.374730  290.3700 2.194031  -22.09500      3.233128  
1 1 1 16 9  9  f 157.3443 1.163641  247.7182       2.587396  236.7062       5.174792  258.7300       5.174792  153.8450 1.681820  160.8436 1.608641  -6.998611      2.327283  
1 1 1 16 9  10 o 123.7709 1.201517  153.7618       2.091836  172.1023       4.183672  135.4214       4.183672  131.1800 1.594631  116.3619 1.797699  14.81809       2.403033  
1 1 1 16 9  11 o 464.3152 2.546775  2157.640       16.72039  2202.984       33.44078  2112.297       33.44078  469.1982 3.563610  459.4323 3.639359  9.765808       5.093550  
1 1 1 16 9  12 o 210.8656 1.399925  444.7986       4.174142  453.2184       8.348284  436.3789       8.348284  212.8621 1.960961  208.8691 1.998448  3.992950       2.799850  
1 1 1 16 9  13 o 294.1323 1.795099  865.5961       7.466758  873.6154       14.93352  857.5765       14.93352  295.4955 2.526860  292.7690 2.550392  2.726471       3.590198  
1 1 1 16 9  14 o 131.2721 1.566651  176.0811       2.816116  125.6340       5.632232  226.5282       5.632232  112.0574 2.513102  150.4868 1.871338  -38.42939      3.133303  
1 1 1 16 9  15 o 428.6033 2.450639  1839.186       14.85251  1871.359       29.70502  1807.013       29.70502  432.3566 3.435246  424.8501 3.495942  7.506500       4.901278  
1 1 1 16 9  16 o 162.7738 1.685753  265.6584       3.869182  289.0927       7.738363  242.2241       7.738363  169.9722 2.276361  155.5754 2.487014  14.39682       3.371506  
1 1 1 16 9  17 o 178.8567 1.849192  321.2850       4.655407  285.4522       9.310814  357.1179       9.310814  168.8395 2.757298  188.8739 2.464823  -20.03436      3.698384  
1 1 1 16 9  18 o 79.45639 3.515770  63.87961       3.916832  54.33055       7.833663  73.42868       7.833663  73.44740 5.332839  85.46539 4.582945  -12.01800      7.031540  
1 1 1 16 9  19 o 100.9671 2.762990  102.6477       3.935891  94.53764       7.871783  110.7577       7.871783  96.95091 4.059675  104.9833 3.749066  -8.032356      5.525980  
1 1 1 16 9  20 o 51.62531 6.101440  27.89909       4.345681  30.16246       8.691362  25.63571       8.691362  54.20087 8.017735  49.04976 9.199251  5.151104       12.20288  
1 1 1 16 9  21 o 45.55422 6.870751  22.14773       5.212912  43.74271       10.42582  0.5527402      10.42582  65.08257 8.009691  26.02587 11.16574  39.05669       13.74150  
1 1 1 16 9  22 o 71.22632 6.242333  53.34896       6.285037  51.59544       12.57007  55.10249       12.57007  69.99538 8.979218  72.45727 8.674129  -2.461891      12.48467  
1 1 1 16 9  23 o 61.85759 7.479638  42.56099       6.408928  41.45552       12.81786  43.66648       12.81786  60.49478 11.00056  63.22041 10.13744  -2.725628      14.95928  
1 1 1 16 9  24 o 43.00094 15.37355  25.98832       16.78234  25.98832       16.78234  ?              ?         43.00094 15.37355  ?        ?         ?              ?         
1 1 1 16 10 0  o 171.3616 2.186405  293.8005       7.490582  293.8005       7.490582  293.8005       7.490582  171.3616 2.186405  171.3616 2.186405  0.000000       0.000000  
1 1 1 16 10 1  o 145.0938 0.9730023 210.5273       1.996536  210.1652       3.993072  210.8894       3.993072  144.9690 1.377216  145.2186 1.374849  -0.2495880     1.946005  
1 1 1 16 10 2  o 671.9648 3.558339  4517.069       33.81245  4453.667       67.62491  4580.473       67.62491  667.2470 5.067456  676.6826 4.996797  -9.435547      7.116677  
1 1 1 16 10 3  o 401.5147 2.221657  1612.529       12.61296  1577.625       25.22592  1647.433       25.22592  397.1682 3.175723  405.8612 3.107703  -8.692993      4.443314  
1 1 1 16 10 4  o 275.9296 1.636684  763.8298       6.356512  678.2408       12.71302  849.4187       12.71302  260.4203 2.440866  291.4388 2.181080  -31.01843      3.273368  
1 1 1 16 10 5  o 461.0930 2.456219  2128.703       15.99135  1990.780       31.98269  2266.625       31.98269  446.1369 3.584404  476.0490 3.359180  -29.91214      4.912437  
1 1 1 16 10 6  o 1041.175 5.397861  10851.15       79.48023  10821.99       158.9605  10880.31       158.9605  1039.774 7.643989  1042.575 7.623453  -2.800781      10.79572  
1 1 1 16 10 7  o 550.7216 2.970253  3034.506       23.12932  2968.301       46.25864  3100.711       46.25864  544.7108 4.246165  556.7322 4.154478  -12.02142      5.940506  
1 1 1 16 10 8  o 479.8480 2.609901  2303.817       17.70675  2361.964       35.41349  2245.669       35.41349  485.9070 3.644062  473.7891 3.737264  12.11789       5.219801  
1 1 1 16 10 9  o 452.2202 2.477947  2047.931       15.82457  2174.613       31.64914  1921.249       31.64914  466.2269 3.394178  438.2135 3.611156  28.01343       4.955894  
1 1 1 16 10 10 o 188.9601 1.267502  357.3942       3.383151  377.4167       6.766303  337.3717       6.766303  194.2581 1.741575  183.6620 1.842053  10.59616       2.535004  
1 1 1 16 10 11 o 148.2789 1.243258  220.4766       2.596926  242.9102       5.193852  198.0430       5.193852  155.8436 1.666367  140.7142 1.845532  15.12933       2.486517  
1 1 1 16 10 12 o 123.1829 1.310997  152.0512       2.277671  139.1571       4.555342  164.9453       4.555342  117.9492 1.931061  128.4167 1.773657  -10.46743      2.621994  
1 1 1 16 10 13 o 374.5250 2.161335  1404.694       11.43600  1331.494       22.87201  1477.894       22.87201  364.7527 3.135277  384.2974 2.975822  -19.54474      4.322670  
1 1 1 16 10 14 o 299.4424 1.857449  897.4643       7.862253  866.2011       15.72451  928.7275       15.72451  294.2221 2.672217  304.6626 2.580643  -10.44043      3.714897  
1 1 1 16 10 15 o 206.8311 1.592245  428.4070       4.650642  401.8517       9.301284  454.9624       9.301284  200.4115 2.320546  213.2506 2.180834  -12.83914      3.184489  
1 1 1 16 10 16 o 369.3115 2.284552  1366.112       11.92680  1412.070       23.85360  1320.153       23.85360  375.5337 3.175960  363.0894 3.284811  12.44437       4.569103  
1 1 1 16 10 17 f 34.46383 5.727883  12.27464       3.016246  19.57463       6.032492  4.974662       6.032492  44.04836 6.847579  24.87929 9.183966  19.16908       11.45577  
1 1 1 16 10 18 o 67.35896 4.221003  46.62078       3.912067  58.87636       7.824133  34.36520       7.824133  76.45618 5.116744  58.26174 6.714641  18.19444       8.442006  
1 1 1 16 10 19 o 150.3110 2.329213  226.8093       4.950837  230.1877       9.901674  223.4309       9.901674  151.4348 3.269286  149.1872 3.318540  2.247589       4.658427  
1 1 1 16 10 20 o 123.3026 2.912165  154.2812       5.022312  128.1976       10.04462  180.3648       10.04462  112.7255 4.455346  133.8797 3.751363  -21.15415      5.824331  
1 1 1 16 10 21 o 74.42435 5.388111  57.12284       5.660822  53.27272       11.32164  60.97296       11.32164  71.83775 7.880010  77.01096 7.350672  -5.173203      10.77622  
1 1 1 16 10 22 o 108.3005 4.152868  120.0256       6.356512  115.2082       12.71302  124.8430       12.71302  106.0764 5.992389  110.5246 5.751218  -4.448189      8.305736  
1 1 1 16 10 23 o 48.83316 9.690483  28.90450       7.076028  23.04355       14.15206  34.76545       14.15206  43.76426 14.17961  53.90206 13.21213  -10.13780      19.38097  
1 1 1 16 10 24 o 41.48359 14.92882  25.39746       15.84840  25.39746       15.84840  ?              ?         41.48359 14.92882  ?        ?         ?              ?         
1 1 1 16 11 0  o 239.6237 3.515436  574.6116       16.83952  574.6116       16.83952  574.6116       16.83952  239.6237 3.515436  239.6237 3.515436  0.000000       0.000000  
1 1 1 16 11 1  o 818.5738 4.293964  6703.800       49.70850  6691.149       99.41699  6716.452       99.41699  817.8010 6.078312  819.3466 6.066847  -1.545532      8.587928  
1 1 1 16 11 2  o 437.5241 2.362780  1914.606       14.61903  1892.421       29.23805  1936.792       29.23805  434.9887 3.360783  440.0595 3.322057  -5.070770      4.725560  
1 1 1 16 11 3  o 806.0520 4.268014  6501.211       48.64114  6340.112       97.28227  6662.311       97.28227  796.0589 6.110244  816.0450 5.960595  -19.98615      8.536028  
1 1 1 16 11 4  o 659.9059 3.500972  4362.169       32.60691  4681.519       65.21381  4042.818       65.21381  684.1025 4.766377  635.7092 5.129218  48.39337       7.001945  
1 1 1 16 11 5  o 212.7767 1.308326  452.8419       3.935891  464.7115       7.871783  440.9724       7.871783  215.5660 1.825841  209.9875 1.874345  5.578430       2.616652  
1 1 1 16 11 6  o 605.6537 3.320828  3670.229       28.43753  3582.148       56.87506  3758.310       56.87506  598.3822 4.752403  612.9253 4.639641  -14.54309      6.641656  
1 1 1 16 11 7  f 201.5393 1.340214  407.4505       3.802472  452.2559       7.604944  362.6453       7.604944  212.6550 1.788094  190.4235 1.996850  22.23155       2.680427  
1 1 1 16 11 8  o 289.0123 1.656633  835.4286       6.771068  836.8297       13.54214  834.0278       13.54214  289.2547 2.340868  288.7700 2.344797  0.4847107      3.313266  
1 1 1 16 11 9  o 230.0900 1.410243  529.5156       4.588697  534.9858       9.177394  524.0453       9.177394  231.2787 1.984055  228.9013 2.004662  2.377426       2.820487  
1 1 1 16 11 10 o 73.05943 1.452260  54.05896       1.472386  66.03339       2.944771  42.08450       2.944771  81.25444 1.812068  64.86442 2.269943  16.39002       2.904519  
1 1 1 16 11 11 o 114.0588 1.301542  131.6237       2.063246  103.6388       4.126492  159.6085       4.126492  101.7911 2.026942  126.3265 1.633264  -24.53546      2.603084  
1 1 1 16 11 12 o 392.7641 2.232427  1545.076       12.38424  1455.051       24.76848  1635.101       24.76848  381.3036 3.247868  404.2246 3.063703  -22.92096      4.464854  
1 1 1 16 11 13 o 300.2475 1.788748  903.4443       7.576353  976.9589       15.15271  829.9298       15.15271  312.4898 2.424512  288.0052 2.630630  24.48462       3.577496  
1 1 1 16 11 14 o 299.6271 1.843333  898.4078       7.809838  881.4777       15.61968  915.3378       15.61968  296.8019 2.631330  302.4523 2.582172  -5.650391      3.686666  
1 1 1 16 11 15 o 194.8734 1.623798  380.2710       4.469572  358.5378       8.939144  402.0042       8.939144  189.2972 2.361140  200.4496 2.229773  -11.15245      3.247595  
1 1 1 16 11 16 o 63.13925 3.429707  40.18803       3.040071  34.61298       6.080142  45.76308       6.080142  58.72436 5.176849  67.55414 4.500200  -8.829777      6.859415  
1 1 1 16 11 17 o 181.4996 1.776167  330.0193       4.555342  345.3673       9.110683  314.6712       9.110683  185.7278 2.452698  177.2715 2.569698  8.456253       3.552334  
1 1 1 16 11 18 o 138.1006 2.439151  191.6103       4.755473  178.6209       9.510944  204.5996       9.510944  133.3978 3.564882  142.8035 3.330081  -9.405746      4.878302  
1 1 1 16 11 19 o 44.49463 6.862371  21.38533       4.436216  32.30671       8.872433  10.46395       8.872433  56.21976 7.890849  32.76950 11.22956  23.45026       13.72474  
1 1 1 16 11 20 o 151.9086 2.633873  232.6226       5.646527  215.3685       11.29305  249.8767       11.29305  146.2295 3.861414  157.5877 3.583102  -11.35820      5.267745  
1 1 1 16 11 21 o 29.57830 7.811405  1.944121       5.351098  16.45832       10.70220  -12.57007      10.70220  38.96266 12.30160  20.19394 9.630301  18.76872       15.62281  
1 1 1 16 11 22 o 112.5167 3.889664  130.0226       6.132557  110.1859       12.26511  149.8593       12.26511  103.7017 5.913650  121.3317 5.054372  -17.63000      7.779327  
1 1 1 16 11 23 o 58.85951 9.598702  42.07973       7.881313  49.49884       15.76263  34.66063       15.76263  64.92094 12.58915  52.79808 14.49323  12.12286       19.19740  
1 1 1 16 12 0  o 1075.487 11.31401  11579.81       243.3010  11579.81       243.3010  11579.81       243.3010  1075.487 11.31401  1075.487 11.31401  0.000000       0.000000  
1 1 1 16 12 1  o 866.7720 4.521866  7518.296       55.41220  7732.302       110.8244  7304.291       110.8244  879.1170 6.303166  854.4269 6.485307  24.69006       9.043733  
1 1 1 16 12 2  o 352.7595 1.947687  1244.576       9.715838  1262.163       19.43168  1226.988       19.43168  355.2523 2.734912  350.2666 2.773841  4.985718       3.895374  
1 1 1 16 12 3  o 576.5870 3.097126  3326.262       25.24498  3431.688       50.48996  3220.836       50.48996  585.7292 4.310008  567.4449 4.448887  18.28436       6.194252  
1 1 1 16 12 4  o 557.9599 3.079733  3116.144       24.27769  2957.351       48.55537  3274.938       48.55537  543.7300 4.465025  572.1898 4.242943  -28.45972      6.159465  
1 1 1 16 12 5  o 137.4225 1.054049  190.8907       2.015596  230.0924       4.031191  151.6891       4.031191  151.6857 1.328797  123.1594 1.636575  28.52638       2.108099  
1 1 1 16 12 6  o 702.3335 3.696403  4936.075       36.70958  5029.393       73.41915  4842.757       73.41915  708.9769 5.177824  695.6901 5.276714  13.28680       7.392805  
1 1 1 16 12 7  o 123.4060 1.104765  153.2139       1.910766  176.8102       3.821531  129.6176       3.821531  132.9664 1.437029  113.8456 1.678384  19.12086       2.209530  
1 1 1 16 12 8  o 432.5614 2.523904  1872.755       15.42908  1793.032       30.85815  1952.478       30.85815  423.3462 3.644553  441.7767 3.492506  -18.43048      5.047808  
1 1 1 16 12 9  o 182.9787 1.309325  334.8796       3.387916  339.4397       6.775833  330.3195       6.775833  184.2247 1.839013  181.7326 1.864232  2.492157       2.618650  
1 1 1 16 12 10 o 293.4730 1.709555  861.5314       7.095088  855.2893       14.19018  867.7736       14.19018  292.4095 2.426421  294.5365 2.408899  -2.126984      3.419110  
1 1 1 16 12 11 o 195.5893 1.351042  383.3730       3.726231  349.7416       7.452463  417.0044       7.452463  186.9919 1.992724  204.1868 1.824913  -17.19490      2.702084  
1 1 1 16 12 12 f 220.0504 1.567015  485.7872       4.855536  433.8725       9.711073  537.7019       9.711073  208.2542 2.331543  231.8465 2.094290  -23.59221      3.134030  
1 1 1 16 12 13 o 147.8599 1.408051  220.0907       2.916181  255.0515       5.832363  185.1298       5.832363  159.6822 1.826241  136.0376 2.143658  23.64456       2.816101  
1 1 1 16 12 14 o 233.9200 1.619887  548.9664       5.336802  606.2512       10.67360  491.6815       10.67360  246.1645 2.167982  221.6754 2.407485  24.48909       3.239773  
1 1 1 16 12 15 o 206.9258 1.633417  428.4833       4.779297  436.8745       9.558595  420.0921       9.558595  208.9533 2.287256  204.8982 2.332523  4.055145       3.266834  
1 1 1 16 12 16 o 78.43033 2.718253  62.41199       2.959066  48.67926       5.918132  76.14473       5.918132  69.67559 4.246919  87.18507 3.394006  -17.50948      5.436506  
1 1 1 16 12 17 o 25.59860 6.053894  4.240851       3.073426  -3.163961      6.146852  11.64566       6.146852  17.91198 8.085393  33.28522 9.012488  -15.37324      12.10779  
1 1 1 16 12 18 o 127.9949 2.177173  164.8309       3.921597  146.0664       7.843193  183.5955       7.843193  120.6647 3.249995  135.3251 2.897907  -14.66042      4.354346  
1 1 1 16 12 19 o 167.7411 2.098060  282.3740       4.974662  272.3008       9.949325  292.4472       9.949325  164.7385 3.019733  170.7437 2.913526  -6.005219      4.196120  
1 1 1 16 12 20 o 60.91763 6.205260  42.10356       4.650642  19.38403       9.301284  64.82309       9.301284  42.00047 10.95840  79.83479 5.825332  -37.83433      12.41052  
1 1 1 16 12 21 o 139.0850 3.131348  195.5461       6.156383  202.3410       12.31277  188.7513       12.31277  141.5277 4.349949  136.6423 4.505474  4.885422       6.262696  
1 1 1 16 12 22 o 22.95881 7.703682  -13.87092      6.775833  -9.301284      13.55167  -18.44056      13.55167  24.42341 11.37988  21.49421 10.38678  2.929197       15.40736  
1 1 1 16 12 23 o 69.14043 8.375795  56.84171       7.647829  78.46052       15.29566  35.22289       15.29566  85.13505 8.983172  53.14580 14.13925  31.98925       16.75159  
1 1 1 16 13 0  o 1466.433 15.13925  21543.62       443.9076  21543.62       443.9076  21543.62       443.9076  1466.433 15.13925  1466.433 15.13925  0.000000       0.000000  
1 1 1 16 13 1  o 213.2622 1.307970  455.1483       3.940656  479.2639       7.881313  431.0325       7.881313  218.9162 1.800075  207.6082 1.898122  11.30798       2.615939  
1 1 1 16 13 2  o 670.7375 3.538547  4500.578       33.56467  4536.129       67.12935  4465.026       67.12935  673.3877 4.984450  668.0873 5.023995  5.300354       7.077095  
1 1 1 16 13 3  f 671.8606 3.586233  4515.797       34.07453  4496.952       68.14906  4534.643       68.14906  670.4581 5.082275  673.2631 5.061101  -2.804993      7.172466  
1 1 1 16 13 4  o 835.8995 4.575750  6992.359       54.08754  6891.183       108.1751  7093.535       108.1751  829.8477 6.517767  841.9515 6.424068  -12.10382      9.151500  
1 1 1 16 13 5  o 422.3991 2.323811  1784.674       13.88045  1758.419       27.76090  1810.930       27.76090  419.2913 3.310455  425.5070 3.262097  -6.215698      4.647622  
1 1 1 16 13 6  o 480.6167 2.586181  2310.645       17.57809  2316.382       35.15619  2304.908       35.15619  481.2136 3.652867  480.0199 3.661951  1.193695       5.172362  
1 1 1 16 13 7  o 211.0023 1.340062  445.3371       3.997837  434.1870       7.995674  456.4872       7.995674  208.3602 1.918715  213.6445 1.871257  -5.284332      2.680125  
1 1 1 16 13 8  o 563.7867 3.185013  3184.260       25.35457  2978.174       50.70914  3390.346       50.70914  545.5098 4.647868  582.0637 4.355980  -36.55389      6.370027  
1 1 1 16 13 9  o 370.5212 2.089852  1375.480       10.92615  1269.187       21.85230  1481.773       21.85230  356.1776 3.067613  384.8649 2.838957  -28.68738      4.179704  
1 1 1 16 13 10 o 219.5349 1.522604  482.0991       4.726882  475.4710       9.453763  488.7272       9.453763  218.0253 2.168042  221.0445 2.138430  -3.019165      3.045208  
1 1 1 16 13 11 o 291.3766 1.780630  850.7625       7.319043  781.3460       14.63809  920.1790       14.63809  279.4648 2.618950  303.2884 2.413229  -23.82361      3.561260  
1 1 1 16 13 12 o 105.9429 1.507163  114.0122       2.206196  86.09406       4.412392  141.9304       4.412392  92.76689 2.378215  119.1190 1.852095  -26.35207      3.014326  
1 1 1 16 13 13 o 32.19060 4.536535  10.84991       2.015596  14.65715       4.031191  7.042673       4.031191  38.24237 5.270583  26.13882 7.385226  12.10355       9.073071  
1 1 1 16 13 14 o 91.75159 2.069064  85.70332       2.615986  107.8129       5.231973  63.59372       5.231973  103.8002 2.520213  79.70296 3.282169  24.09724       4.138128  
1 1 1 16 13 15 o 288.1387 1.842357  832.5316       7.485818  905.2836       14.97164  759.7795       14.97164  300.7632 2.488941  275.5142 2.717036  25.24896       3.684713  
1 1 1 16 13 16 o 129.9429 1.875363  169.7008       3.426036  190.8669       6.852073  148.5346       6.852073  138.0873 2.481066  121.7985 2.812872  16.28880       3.750725  
1 1 1 16 13 17 o 110.2527 2.327368  121.8935       3.626166  127.2923       7.252333  116.4948       7.252333  112.7010 3.217510  107.8043 3.363657  4.896706       4.654736  
1 1 1 16 13 18 o 21.02768 6.468206  -1.010180      3.592812  -0.4860302     7.185624  -1.534331      7.185624  21.39019 9.225289  20.66517 9.068892  0.7250175      12.93641  
1 1 1 16 13 19 o 56.94180 5.270337  33.12153       4.240851  34.58438       8.481703  31.65867       8.481703  58.22632 7.283393  55.65729 7.619580  2.569027       10.54067  
1 1 1 16 13 20 o 80.05870 4.435901  65.91903       4.950837  78.44147       9.901674  53.39661       9.901674  87.87948 5.633667  72.23792 6.853515  15.64156       8.871802  
1 1 1 16 13 21 o 104.4601 4.030559  111.1627       5.951487  107.2888       11.90297  115.0367       11.90297  102.6059 5.800339  106.3144 5.598008  -3.708534      8.061118  
1 1 1 16 13 22 o 96.85565 5.425319  98.55454       7.380988  111.1770       14.76198  85.93204       14.76198  103.3718 7.140234  90.33952 8.170276  13.03228       10.85064  
1 1 1 16 13 23 o 58.03893 8.943416  40.49775       7.152268  34.67968       14.30454  46.31581       14.30454  53.11160 13.44680  62.96625 11.79501  -9.854652      17.88683  
1 1 1 16 14 0  o 571.9260 6.023508  3272.975       68.88287  3272.975       68.88287  3272.975       68.88287  571.9260 6.023508  571.9260 6.023508  0.000000       0.000000  
1 1 1 16 14 1  o 513.1828 2.722642  2634.508       19.75570  2694.761       39.51140  2574.254       39.51140  519.0534 3.806102  507.3122 3.894189  11.74118       5.445284  
1 1 1 16 14 2  o 204.9620 1.297251  420.8736       3.750056  456.5443       7.500113  385.2027       7.500113  213.6638 1.755120  196.2602 1.910757  17.40361       2.594502  
1 1 1 16 14 3  o 655.0869 3.419470  4297.422       31.63008  4021.709       63.26016  4573.134       63.26016  634.0429 4.988635  676.1309 4.678101  -42.08801      6.838940  
1 1 1 16 14 4  o 526.5713 3.004027  2774.747       22.35739  2884.427       44.71478  2665.066       44.71478  536.9860 4.163496  516.1567 4.331512  20.82928       6.008053  
1 1 1 16 14 5  o 364.5126 2.035848  1330.331       10.47824  1244.199       20.95648  1416.464       20.95648  352.6979 2.970882  376.3273 2.784342  -23.62943      4.071695  
1 1 1 16 14 6  o 623.6163 3.289426  3891.190       29.00933  3928.267       58.01866  3854.115       58.01866  626.5890 4.629723  620.6436 4.674073  5.945374       6.578852  
1 1 1 16 14 7  o 170.2357 1.166018  289.8694       2.806586  296.7834       5.613173  282.9554       5.613173  172.2664 1.629212  168.2050 1.668551  4.061432       2.332036  
1 1 1 16 14 8  f 201.2473 1.312576  405.4016       3.730997  428.8216       7.461993  381.9816       7.461993  207.0660 1.801839  195.4286 1.909136  11.63741       2.625152  
1 1 1 16 14 9  o 210.4469 1.389606  443.2786       4.131257  419.5680       8.262513  466.9893       8.262513  204.8135 2.017083  216.0803 1.911908  -11.26680      2.779211  
1 1 1 16 14 10 o 318.0218 1.852314  1011.901       8.329224  1034.587       16.65845  989.2144       16.65845  321.5886 2.590025  314.4550 2.648781  7.133545       3.704628  
1 1 1 16 14 11 o 350.9851 2.081560  1234.683       10.30670  1134.709       20.61340  1334.658       20.61340  336.7431 3.060701  365.2271 2.821998  -28.48398      4.163119  
1 1 1 16 14 12 o 246.6664 1.557301  609.7725       5.417807  558.1247       10.83561  661.4204       10.83561  236.1972 2.293765  257.1355 2.106985  -20.93834      3.114602  
1 1 1 16 14 13 o 209.0001 1.491828  438.0324       4.393332  481.1318       8.786663  394.9329       8.786663  219.3109 2.003243  198.6892 2.211158  20.62172       2.983656  
1 1 1 16 14 14 o 203.9966 1.572604  416.3754       4.536282  424.1900       9.072563  408.5608       9.072563  205.9120 2.203019  202.0813 2.244781  3.830734       3.145208  
1 1 1 16 14 15 o 163.2731 1.655194  266.7829       3.821531  271.0238       7.643063  262.5421       7.643063  164.5718 2.322106  161.9744 2.359343  2.597397       3.310388  
1 1 1 16 14 16 o 166.8197 1.754162  278.6764       4.136022  289.5596       8.272044  267.7931       8.272044  170.0817 2.431786  163.5577 2.528785  6.523956       3.508323  
1 1 1 16 14 17 o 94.98744 2.544056  90.49692       3.416506  87.99052       6.833013  93.00331       6.833013  93.66811 3.647459  96.30677 3.547525  -2.638657      5.088112  
1 1 1 16 14 18 o 111.3899 2.623312  124.6334       4.131257  128.1214       8.262513  121.1454       8.262513  112.9556 3.657416  109.8243 3.761697  3.131332       5.246623  
1 1 1 16 14 19 o 114.2927 2.927651  131.4807       4.731647  129.4174       9.463295  133.5440       9.463295  113.3901 4.172892  115.1954 4.107498  -1.805237      5.855303  
1 1 1 16 14 20 f 26.89009 7.944683  1.486681       5.189087  6.280273       10.37817  -3.306911      10.37817  29.95996 11.80286  23.82023 10.63788  6.139723       15.88937  
1 1 1 16 14 21 f 48.89305 8.599072  27.05092       5.956253  23.07214       11.91251  31.02969       11.91251  45.10999 12.67943  52.67611 11.61930  -7.566116      17.19814  
1 1 1 16 14 22 o 126.4652 3.891258  163.8780       6.947372  152.9852       13.89474  174.7708       13.89474  122.1586 5.687175  130.7719 5.312590  -8.613274      7.782516  
1 1 1 16 14 23 o 52.42352 9.537556  33.86487       7.176094  39.41610       14.35219  28.31364       14.35219  57.22618 12.85494  47.62086 14.09292  9.605316       19.07511  
1 1 1 16 15 0  o 647.9646 6.810572  4201.521       88.23830  4201.521       88.23830  4201.521       88.23830  647.9646 6.810572  647.9646 6.810572  0.000000       0.000000  
1 1 1 16 15 1  o 210.2503 1.493596  448.4629       4.345681  342.2415       8.691362  554.6843       8.691362  184.9896 2.349150  235.5110 1.845214  -50.52142      2.987192  
1 1 1 16 15 2  o 147.2307 1.259486  217.1364       2.615986  199.5583       5.231973  234.7144       5.231973  141.2612 1.851879  153.2003 1.707559  -11.93916      2.518971  
1 1 1 16 15 3  o 970.5621 5.034204  9428.890       69.09253  9572.794       138.1851  9284.987       138.1851  977.9755 7.064853  963.1487 7.173609  14.82678       10.06841  
1 1 1 16 15 4  o 683.1659 3.888054  4670.269       37.56251  4620.032       75.12502  4720.506       75.12502  679.4891 5.528052  686.8427 5.468866  -7.353638      7.776108  
1 1 1 16 15 5  o 239.7266 1.448016  576.3270       4.888892  636.6328       9.777783  516.0211       9.777783  252.3046 1.937694  227.1485 2.152289  25.15610       2.896033  
1 1 1 16 15 6  o 435.5710 2.363659  1898.510       14.55232  1969.280       29.10463  1827.741       29.10463  443.6948 3.279803  427.4472 3.404471  16.24759       4.727318  
1 1 1 16 15 7  o 355.3178 2.076226  1264.622       10.41153  1358.045       20.82306  1171.199       20.82306  368.4642 2.825656  342.1715 3.042781  26.29269       4.152451  
1 1 1 16 15 8  f 106.7777 1.150587  114.1599       1.734461  106.4215       3.468921  121.8983       3.468921  103.1541 1.681427  110.4013 1.571052  -7.247169      2.301174  
1 1 1 16 15 9  f 354.9266 2.152210  1260.367       10.80226  1275.553       21.60452  1245.181       21.60452  357.0659 3.025284  352.7873 3.061975  4.278656       4.304421  
1 1 1 16 15 10 o 98.02028 1.440947  96.43886       1.987006  85.07435       3.974012  107.8034       3.974012  92.22325 2.154561  103.8173 1.913945  -11.59406      2.881895  
1 1 1 16 15 11 o 421.0906 2.426913  1775.511       14.44272  1699.972       28.88544  1851.051       28.88544  412.1211 3.504485  430.0601 3.358303  -17.93903      4.853825  
1 1 1 16 15 12 o 136.2806 1.387090  186.6737       2.654106  160.9141       5.308212  212.4333       5.308212  126.8297 2.092654  145.7316 1.821230  -18.90189      2.774181  
1 1 1 16 15 13 o 92.01021 1.876858  85.32213       2.415856  99.71243       4.831712  70.93182       4.831712  99.83016 2.419966  84.19025 2.869520  15.63992       3.753716  
1 1 1 16 15 14 o 258.7728 1.746215  670.0593       6.389868  680.4614       12.77974  659.6573       12.77974  260.7827 2.450266  256.7629 2.488626  4.019745       3.492429  
1 1 1 16 15 15 o 238.3146 1.696538  568.6505       5.713237  542.4383       11.42647  594.8629       11.42647  232.8151 2.453981  243.8141 2.343276  -10.99902      3.393076  
1 1 1 16 15 16 o 78.56415 2.919408  61.95455       3.240201  58.66670       6.480402  65.24240       6.480402  76.47169 4.237125  80.65662 4.017279  -4.184929      5.838816  
1 1 1 16 15 17 o 44.92979 5.576842  22.91013       3.359326  38.72993       6.718653  7.090323       6.718653  62.01241 5.417184  27.84717 9.749810  34.16524       11.15368  
1 1 1 16 15 18 o 39.84492 6.939480  17.08730       4.016897  10.72125       8.033793  23.45334       8.033793  32.60603 10.68568  47.08380 8.856736  -14.47777      13.87896  
1 1 1 16 15 19 o 177.5535 2.203198  316.6201       5.527402  301.4626       11.05480  331.7776       11.05480  173.2850 3.189775  181.8219 3.040009  -8.536850      4.406395  
1 1 1 16 15 20 o 27.72023 8.027636  3.445096       5.060432  6.146852       10.12086  0.7433403      10.12086  29.61464 11.65917  25.82582 11.03791  3.788816       16.05527  
1 1 1 16 15 21 o 77.12579 5.280357  62.24999       5.660822  49.49884       11.32164  75.00113       11.32164  68.85934 8.220850  85.39225 6.629200  -16.53291      10.56071  
1 1 1 16 15 22 o 73.68708 7.121240  61.03490       6.794893  39.41610       13.58979  82.65372       13.58979  58.58518 12.01174  88.78898 7.652857  -30.20380      14.24248  
1 1 1 16 15 23 o 30.96397 13.51918  3.192551       15.80075  3.192551       15.80075  ?              ?         30.96397 13.51918  ?        ?         ?              ?         
1 1 1 16 16 0  o 1597.244 23.41498  25587.68       747.6288  25587.68       747.6288  25587.68       747.6288  1597.244 23.41498  1597.244 23.41498  0.000000       0.000000  
1 1 1 16 16 1  o 129.5824 2.417798  168.0997       6.261212  168.0997       6.261212  168.0997       6.261212  129.5824 2.417798  129.5824 2.417798  0.000000       0.000000  
1 1 1 16 16 2  o 156.0415 2.673720  243.7203       8.338754  243.7203       8.338754  243.7203       8.338754  156.0415 2.673720  156.0415 2.673720  0.000000       0.000000  
1 1 1 16 16 3  o 575.4655 6.187785  3314.097       71.19866  3314.097       71.19866  3314.097       71.19866  575.4655 6.187785  575.4655 6.187785  0.000000       0.000000  
1 1 1 16 16 4  o 252.2278 3.447282  636.6328       17.38272  636.6328       17.38272  636.6328       17.38272  252.2278 3.447282  252.2278 3.447282  0.000000       0.000000  
1 1 1 16 16 5  o 102.8787 2.337044  106.0118       4.803122  106.0118       4.803122  106.0118       4.803122  102.8787 2.337044  102.8787 2.337044  0.000000       0.000000  
1 1 1 16 16 6  o 343.3907 3.951765  1179.948       27.13192  1179.948       27.13192  1179.948       27.13192  343.3907 3.951765  343.3907 3.951765  0.000000       0.000000  
1 1 1 16 16 7  o 424.2230 4.870645  1801.237       41.31257  1801.237       41.31257  1801.237       41.31257  424.2230 4.870645  424.2230 4.870645  0.000000       0.000000  
1 1 1 16 16 8  o 376.4501 4.294755  1418.322       32.32578  1418.322       32.32578  1418.322       32.32578  376.4501 4.294755  376.4501 4.294755  0.000000       0.000000  
1 1 1 16 16 9  o 584.4773 6.737676  3421.729       78.73689  3421.729       78.73689  3421.729       78.73689  584.4773 6.737676  584.4773 6.737676  0.000000       0.000000  
1 1 1 16 16 10 o 133.9532 2.566854  179.6692       6.871132  179.6692       6.871132  179.6692       6.871132  133.9532 2.566854  133.9532 2.566854  0.000000       0.000000  
1 1 1 16 16 11 f 116.4093 3.066513  135.8407       7.128443  135.8407       7.128443  135.8407       7.128443  116.4093 3.066513  116.4093 3.066513  0.000000       0.000000  
1 1 1 16 16 12 o 89.07951 3.926656  79.86143       6.966432  79.86143       6.966432  79.86143       6.966432  89.07951 3.926656  89.07951 3.926656  0.000000       0.000000  
1 1 1 16 16 13 o 225.7356 3.237467  510.1411       14.60950  510.1411       14.60950  510.1411       14.60950  225.7356 3.237467  225.7356 3.237467  0.000000       0.000000  
1 1 1 16 16 14 o 107.4533 3.645473  115.9420       7.814603  115.9420       7.814603  115.9420       7.814603  107.4533 3.645473  107.4533 3.645473  0.000000       0.000000  
1 1 1 16 16 15 o 102.3280 4.847491  105.5829       9.873084  105.5829       9.873084  105.5829       9.873084  102.3280 4.847491  102.3280 4.847491  0.000000       0.000000  
1 1 1 16 16 16 o 73.34479 6.313414  55.18825       9.129744  55.18825       9.129744  55.18825       9.129744  73.34479 6.313414  73.34479 6.313414  0.000000       0.000000  
1 1 1 16 16 17 o 34.41087 13.72471  16.68704       9.101154  16.68704       9.101154  16.68704       9.101154  34.41087 13.72471  34.41087 13.72471  0.000000       0.000000  
1 1 1 16 16 18 o 50.38055 13.25405  30.65802       11.51224  30.65802       11.51224  30.65802       11.51224  50.38055 13.25405  50.38055 13.25405  0.000000       0.000000  
1 1 1 16 16 19 o 72.15527 9.301515  55.53133       13.06564  55.53133       13.06564  55.53133       13.06564  72.15527 9.301515  72.15527 9.301515  0.000000       0.000000  
1 1 1 16 16 20 o 20.11952 13.62651  -5.041372      15.62921  -5.041372      15.62921  -5.041372      15.62921  20.11952 13.62651  20.11952 13.62651  0.000000       0.000000  
1 1 1 16 16 21 o 40.26978 18.73473  26.04550       16.63939  26.04550       16.63939  26.04550       16.63939  40.26978 18.73473  40.26978 18.73473  0.000000       0.000000  
1 1 1 16 16 22 o 76.29018 15.35078  69.52138       20.78494  69.52138       20.78494  69.52138       20.78494  76.29018 15.35078  76.29018 15.35078  0.000000       0.000000  
1 1 1 17 0  1  o 64.64570 1.668297  41.87484       2.153781  41.87484       2.153781  41.87484       2.153781  64.64570 1.668297  64.64570 1.668297  0.000000       0.000000  
1 1 1 17 0  2  o 572.5145 6.016477  3279.513       68.87334  3279.513       68.87334  3279.513       68.87334  572.5145 6.016477  572.5145 6.016477  0.000000       0.000000  
1 1 1 17 0  3  o 815.5833 9.117943  6657.469       148.6871  6657.469       148.6871  6657.469       148.6871  815.5833 9.117943  815.5833 9.117943  0.000000       0.000000  
1 1 1 17 0  4  o 373.4377 4.888893  1395.488       36.49992  1395.488       36.49992  1395.488       36.49992  373.4377 4.888893  373.4377 4.888893  0.000000       0.000000  
1 1 1 17 0  5  o 307.2732 4.017951  944.7475       24.68271  944.7475       24.68271  944.7475       24.68271  307.2732 4.017951  307.2732 4.017951  0.000000       0.000000  
1 1 1 17 0  6  o 517.2783 5.943295  2677.512       61.46852  2677.512       61.46852  2677.512       61.46852  517.2783 5.943295  517.2783 5.943295  0.000000       0.000000  
1 1 1 17 0  7  o 252.0665 2.942322  635.6798       14.82869  635.6798       14.82869  635.6798       14.82869  252.0665 2.942322  252.0665 2.942322  0.000000       0.000000  
1 1 1 17 0  8  o 474.6848 5.072621  2254.675       48.14558  2254.675       48.14558  2254.675       48.14558  474.6848 5.072621  474.6848 5.072621  0.000000       0.000000  
1 1 1 17 0  9  o 313.7272 3.609827  984.8306       22.64329  984.8306       22.64329  984.8306       22.64329  313.7272 3.609827  313.7272 3.609827  0.000000       0.000000  
1 1 1 17 0  10 o 350.6884 3.968709  1230.686       27.82761  1230.686       27.82761  1230.686       27.82761  350.6884 3.968709  350.6884 3.968709  0.000000       0.000000  
1 1 1 17 0  11 o 363.2491 4.096522  1320.544       29.75267  1320.544       29.75267  1320.544       29.75267  363.2491 4.096522  363.2491 4.096522  0.000000       0.000000  
1 1 1 17 0  12 o 20.33306 9.508339  6.080142       4.288502  6.080142       4.288502  6.080142       4.288502  20.33306 9.508339  20.33306 9.508339  0.000000       0.000000  
1 1 1 17 0  13 o 100.5562 2.852999  101.3897       5.727532  101.3897       5.727532  101.3897       5.727532  100.5562 2.852999  100.5562 2.852999  0.000000       0.000000  
1 1 1 17 0  14 o 170.4713 2.808078  290.9320       9.568124  290.9320       9.568124  290.9320       9.568124  170.4713 2.808078  170.4713 2.808078  0.000000       0.000000  
1 1 1 17 0  15 o 68.03400 5.425457  47.23070       7.290452  47.23070       7.290452  47.23070       7.290452  68.03400 5.425457  68.03400 5.425457  0.000000       0.000000  
1 1 1 17 0  16 o 181.3676 3.183806  329.4522       11.54083  329.4522       11.54083  329.4522       11.54083  181.3676 3.183806  181.3676 3.183806  0.000000       0.000000  
1 1 1 17 0  17 o 159.5798 3.976814  255.4518       12.67490  255.4518       12.67490  255.4518       12.67490  159.5798 3.976814  159.5798 3.976814  0.000000       0.000000  
1 1 1 17 0  18 o 229.3975 3.599661  527.3428       16.50597  527.3428       16.50597  527.3428       16.50597  229.3975 3.599661  229.3975 3.599661  0.000000       0.000000  
1 1 1 17 0  19 o 161.5596 4.813957  262.6374       15.52438  262.6374       15.52438  262.6374       15.52438  161.5596 4.813957  161.5596 4.813957  0.000000       0.000000  
1 1 1 17 0  20 o 35.55233 17.82765  19.80335       15.39096  19.80335       15.39096  19.80335       15.39096  35.55233 17.82765  35.55233 17.82765  0.000000       0.000000  
1 1 1 17 0  21 o 124.2377 7.105700  157.7311       17.53521  157.7311       17.53521  157.7311       17.53521  124.2377 7.105700  124.2377 7.105700  0.000000       0.000000  
1 1 1 17 0  22 o 151.4154 5.355058  232.2271       16.17241  232.2271       16.17241  232.2271       16.17241  151.4154 5.355058  151.4154 5.355058  0.000000       0.000000  
1 1 1 17 0  23 o 119.3208 9.242309  149.8593       21.79512  149.8593       21.79512  149.8593       21.79512  119.3208 9.242309  119.3208 9.242309  0.000000       0.000000  
1 1 1 17 1  0  o 697.2502 7.262200  4864.829       101.2468  4864.829       101.2468  4864.829       101.2468  697.2502 7.262200  697.2502 7.262200  0.000000       0.000000  
1 1 1 17 1  1  o 312.3700 1.717310  975.8629       7.585882  988.3950       15.17176  963.3309       15.17176  314.3759 2.412997  310.3640 2.444189  4.011902       3.434620  
1 1 1 17 1  2  o 345.8739 1.888416  1199.480       9.201219  1077.824       18.40244  1321.135       18.40244  328.2872 2.802795  363.4605 2.531559  -35.17331      3.776831  
1 1 1 17 1  3  o 732.6975 4.279733  5371.000       44.34311  5297.758       88.68622  5444.244       88.68622  727.6994 6.093602  737.6957 6.011030  -9.996277      8.559466  
1 1 1 17 1  4  o 634.7571 3.842578  4031.092       34.48908  3951.473       68.97816  4110.710       68.97816  628.4855 5.487649  641.0286 5.380272  -12.54309      7.685156  
1 1 1 17 1  5  o 298.2445 1.919726  890.3740       8.086207  837.2108       16.17241  943.5370       16.17241  289.3318 2.794787  307.1572 2.632596  -17.82532      3.839453  
1 1 1 17 1  6  o 535.7936 3.062543  2873.115       23.18650  2738.247       46.37300  3007.984       46.37300  523.2078 4.431605  548.3795 4.228186  -25.17169      6.125086  
1 1 1 17 1  7  o 560.2401 2.964377  3139.593       23.48669  3146.073       46.97339  3133.113       46.97339  560.8184 4.187932  559.6617 4.196588  1.156616       5.928754  
1 1 1 17 1  8  o 276.9699 1.580287  767.2225       6.189737  760.8087       12.37947  773.6362       12.37947  275.8121 2.244186  278.1277 2.225502  -2.315674      3.160574  
1 1 1 17 1  9  o 270.7269 1.565737  735.3969       5.965783  652.2334       11.93157  818.5607       11.93157  255.3676 2.336154  286.0862 2.085310  -30.71858      3.131475  
1 1 1 17 1  10 o 285.6006 1.648533  815.9971       6.656708  794.5735       13.31342  837.4205       13.31342  281.8500 2.361791  289.3512 2.300563  -7.501221      3.297066  
1 1 1 17 1  11 o 126.9363 1.141943  161.9529       2.034656  139.1857       4.069312  184.7201       4.069312  117.9684 1.724747  135.9043 1.497124  -17.93591      2.283885  
1 1 1 17 1  12 o 405.6868 2.282308  1646.818       13.09423  1644.498       26.18845  1649.139       26.18845  405.4008 3.229946  405.9727 3.225395  -0.5719910     4.564616  
1 1 1 17 1  13 o 125.8990 1.319074  159.1654       2.334851  139.3477       4.669702  178.9830       4.669702  118.0286 1.978208  133.7695 1.745429  -15.74092      2.638149  
1 1 1 17 1  14 o 317.0858 1.897884  1006.035       8.510294  995.7806       17.02059  1016.289       17.02059  315.4688 2.697665  318.7027 2.670292  -3.233917      3.795769  
1 1 1 17 1  15 o 156.5624 1.481815  245.5930       3.273556  264.5720       6.547113  226.6140       6.547113  162.6236 2.012965  150.5013 2.175102  12.12233       2.963630  
1 1 1 17 1  16 o 104.5932 1.931478  109.6903       2.849471  118.8582       5.698943  100.5225       5.698943  108.9759 2.614773  100.2106 2.843482  8.765244       3.862956  
1 1 1 17 1  17 o 144.2225 1.832128  208.4403       3.730997  195.0125       7.461993  221.8680       7.461993  139.5673 2.673261  148.8777 2.506081  -9.310471      3.664255  
1 1 1 17 1  18 o 218.7168 2.042745  479.2211       6.318392  476.7098       12.63678  481.7322       12.63678  218.1427 2.896450  219.2908 2.881285  -1.148132      4.085489  
1 1 1 17 1  19 o 210.7494 2.072129  445.3514       6.175443  439.3141       12.35089  451.3886       12.35089  209.3171 2.950282  212.1817 2.910450  -2.864655      4.144259  
1 1 1 17 1  20 o 78.00453 5.495985  62.24522       6.061082  63.96539       12.12216  60.52505       12.12216  79.10714 7.661865  76.90192 7.881574  2.205215       10.99197  
1 1 1 17 1  21 o 76.78110 5.651019  61.03015       6.094438  68.97816       12.18888  53.08212       12.18888  81.95686 7.436152  71.60533 8.511151  10.35153       11.30204  
1 1 1 17 1  22 o 160.9827 3.149334  262.5421       7.166563  271.6718       14.33313  253.4123       14.33313  163.8183 4.374701  158.1471 4.531580  5.671249       6.298669  
1 1 1 17 1  23 o 36.30023 9.953626  12.43666       7.342868  15.27660       14.68574  9.596713       14.68574  38.17499 14.28185  34.42548 13.86821  3.749512       19.90725  
1 1 1 17 1  24 o 55.58889 15.70531  40.93137       18.23090  40.93137       18.23090  ?              ?         55.58889 15.70531  ?        ?         ?              ?         
1 1 1 17 2  0  o 127.2044 1.922651  161.9243       4.888892  161.9243       4.888892  161.9243       4.888892  127.2044 1.922651  127.2044 1.922651  0.000000       0.000000  
1 1 1 17 2  1  o 303.6340 1.705687  924.0435       7.299983  837.2776       14.59997  1010.809       14.59997  289.3461 2.522924  317.9220 2.296156  -28.57584      3.411375  
1 1 1 17 2  2  o 905.8623 4.671051  8210.126       59.83890  8151.946       119.6778  8268.308       119.6778  902.6510 6.629240  909.0737 6.582403  -6.422668      9.342101  
1 1 1 17 2  3  o 407.3450 2.543200  1659.784       14.64762  1620.577       29.29523  1698.990       29.29523  402.5326 3.638865  412.1574 3.553888  -9.624847      5.086399  
1 1 1 17 2  4  o 561.4957 3.176673  3153.931       25.22115  3089.074       50.44231  3218.787       50.44231  555.7203 4.538462  567.2710 4.446050  -11.55066      6.353345  
1 1 1 17 2  5  o 412.3647 2.394677  1702.144       13.94716  1801.638       27.89432  1602.651       27.89432  424.4284 3.286104  400.3009 3.484169  24.12750       4.789354  
1 1 1 17 2  6  o 352.8960 2.099637  1248.197       10.44488  1132.660       20.88977  1363.734       20.88977  336.5262 3.103736  369.2659 2.828554  -32.73969      4.199273  
1 1 1 17 2  7  o 653.5211 3.422411  4272.586       31.63008  4245.817       63.26016  4299.356       63.26016  651.4730 4.855164  655.5692 4.824828  -4.096191      6.844821  
1 1 1 17 2  8  o 319.2198 1.787541  1021.388       8.043323  1116.697       16.08665  926.0781       16.08665  334.1484 2.407111  304.2913 2.643297  29.85706       3.575081  
1 1 1 17 2  9  o 217.9336 1.327033  475.4948       4.083606  506.1099       8.167212  444.8797       8.167212  224.9575 1.815279  210.9096 1.936188  14.04793       2.654065  
1 1 1 17 2  10 o 255.3894 1.529542  652.4955       5.522637  633.8787       11.04527  671.1124       11.04527  251.7446 2.193746  259.0342 2.132011  -7.289612      3.059083  
1 1 1 17 2  11 o 370.4323 2.053850  1373.188       10.75461  1421.038       21.50922  1325.338       21.50922  376.8910 2.853507  363.9736 2.954777  12.91736       4.107701  
1 1 1 17 2  12 f 34.29599 3.234841  12.16505       1.481916  8.824783       2.963831  15.50532       2.963831  29.23149 5.261337  39.36048 3.764984  -10.12898      6.469681  
1 1 1 17 2  13 o 253.3971 1.591625  642.3413       5.703707  642.9608       11.40741  641.7219       11.40741  253.5193 2.249812  253.2749 2.251983  0.2444458      3.183250  
1 1 1 17 2  14 o 116.1752 1.510126  136.3505       2.444446  163.2108       4.888892  109.4902       4.888892  127.7354 1.913679  104.6149 2.336613  23.12053       3.020253  
1 1 1 17 2  15 o 96.34998 1.710001  93.01284       2.325321  86.18935       4.650642  99.83632       4.650642  92.80898 2.505491  99.89096 2.327859  -7.081978      3.420002  
1 1 1 17 2  16 o 82.07431 2.278893  67.86316       2.620751  57.28485       5.241503  78.44147       5.241503  75.62997 3.465228  88.51866 2.960676  -12.88869      4.557786  
1 1 1 17 2  17 o 91.41815 2.447794  83.74490       3.163961  81.76743       6.327922  85.72238       6.327922  90.33659 3.502414  92.49971 3.420510  -2.163116      4.895588  
1 1 1 17 2  18 o 64.42312 3.759442  41.78430       3.421271  44.06674       6.842543  39.50187       6.842543  66.19456 5.168508  62.65168 5.460782  3.542889       7.518884  
1 1 1 17 2  19 o 92.26357 2.910778  85.57943       3.797706  86.78975       7.595412  84.36913       7.595412  92.91946 4.087095  91.60766 4.145621  1.311806       5.821557  
1 1 1 17 2  20 o 75.52910 3.944725  57.72800       4.212262  59.34333       8.424523  56.11266       8.424523  76.59844 5.499148  74.45975 5.657099  2.138695       7.889449  
1 1 1 17 2  21 o 57.15131 7.728965  37.66734       6.261212  63.38405       12.52242  11.95062       12.52242  78.40398 7.985835  35.89865 13.23533  42.50533       15.45793  
1 1 1 17 2  22 o 64.16841 7.139216  47.07822       5.827598  23.92031       11.65520  70.23613       11.65520  45.85131 12.40804  82.48551 7.064995  -36.63420      14.27843  
1 1 1 17 2  23 o 104.0122 4.995413  112.8209       7.338103  106.3262       14.67621  119.3156       14.67621  100.8902 7.273359  107.1343 6.849442  -6.244171      9.990827  
1 1 1 17 2  24 o 35.80901 15.00689  10.89279       18.09748  10.89279       18.09748  ?              ?         35.80901 15.00689  ?        ?         ?              ?         
1 1 1 17 3  0  f 152.4383 1.951251  232.4940       5.946723  232.4940       5.946723  232.4940       5.946723  152.4383 1.951251  152.4383 1.951251  0.000000       0.000000  
1 1 1 17 3  1  o 474.8716 2.559801  2255.690       17.18736  2203.213       34.37473  2308.167       34.37473  469.3463 3.661979  480.3970 3.577741  -11.05072      5.119602  
1 1 1 17 3  2  o 719.4565 3.940454  5178.027       40.09273  5183.121       80.18546  5172.934       80.18546  719.8105 5.569901  719.1025 5.575384  0.7080078      7.880907  
1 1 1 17 3  3  o 456.8259 2.513112  2089.392       16.21054  2224.236       32.42107  1954.547       32.42107  471.5848 3.437460  442.0670 3.666986  29.51776       5.026223  
1 1 1 17 3  4  o 76.04509 1.071584  57.96625       1.148365  63.57465       2.296731  52.35784       2.296731  79.73264 1.440270  72.35754 1.587071  7.375107       2.143169  
1 1 1 17 3  5  o 226.0000 1.546579  522.2156       4.779297  369.4211       9.558595  675.0102       9.558595  192.1959 2.486681  259.8041 1.839578  -67.60822      3.093158  
1 1 1 17 3  6  o 98.68723 1.024435  97.40617       1.429500  95.30004       2.859001  99.51230       2.859001  97.62016 1.464350  99.75430 1.433022  -2.134132      2.048871  
1 1 1 17 3  7  o 677.2351 3.565483  4589.512       34.13647  4448.405       68.27295  4730.618       68.27295  666.8173 5.119315  687.6528 4.964202  -20.83551      7.130967  
1 1 1 17 3  8  o 411.6791 2.231749  1696.350       12.97987  1785.332       25.95973  1607.369       25.95973  422.4863 3.072257  400.8720 3.237908  21.61435       4.463498  
1 1 1 17 3  9  o 373.1686 2.038826  1392.939       10.75937  1380.421       21.51875  1405.456       21.51875  371.4914 2.896265  374.8458 2.870347  -3.354431      4.077652  
1 1 1 17 3  10 o 326.1048 1.835074  1063.777       8.462644  1052.046       16.92529  1075.509       16.92529  324.3061 2.609462  327.9035 2.580833  -3.597443      3.670149  
1 1 1 17 3  11 o 188.6214 1.331834  356.0267       3.549927  372.2039       7.099854  339.8495       7.099854  192.9096 1.840202  184.3331 1.925822  8.576538       2.663669  
1 1 1 17 3  12 o 300.9235 1.754085  906.4939       7.457228  859.2061       14.91446  953.7818       14.91446  293.0663 2.544553  308.7806 2.415057  -15.71426      3.508169  
1 1 1 17 3  13 o 270.5211 1.687371  734.5631       6.423223  819.0847       12.84645  650.0416       12.84645  286.1431 2.244759  254.8991 2.519908  31.24400       3.374741  
1 1 1 17 3  14 o 89.32314 1.787324  80.25693       2.239551  91.98359       4.479102  68.53025       4.479102  95.88733 2.335607  82.75896 2.706113  13.12837       3.574648  
1 1 1 17 3  15 f 131.0996 1.588779  174.7946       2.873296  218.9900       5.746593  130.5992       5.746593  147.9552 1.942004  114.2439 2.515054  33.71131       3.177558  
1 1 1 17 3  16 f 129.5533 1.770894  168.1236       3.240201  158.0742       6.480402  178.1729       6.480402  125.6748 2.578243  133.4318 2.428358  -7.756966      3.541788  
1 1 1 17 3  17 o 260.2590 1.860781  678.5172       6.842543  712.0247       13.68509  645.0097       13.68509  266.6964 2.565668  253.8217 2.695807  12.87466       3.721563  
1 1 1 17 3  18 o 24.12800 6.864766  2.825646       3.592812  2.468271       7.185624  3.183021       7.185624  23.80803 9.655343  24.44798 9.760860  -0.6399460     13.72953  
1 1 1 17 3  19 o 25.52956 7.154943  3.621402       3.888242  5.794242       7.776483  1.448561       7.776483  27.39957 10.35992  23.65956 9.871419  3.740009       14.30989  
1 1 1 17 3  20 o 101.5413 3.558136  104.2392       5.098552  112.0443       10.19710  96.43411       10.19710  105.3846 4.838042  97.69801 5.218686  7.686600       7.116272  
1 1 1 17 3  21 o 70.77647 5.395184  52.62468       5.208147  68.15858       10.41630  37.09077       10.41630  81.75038 6.370792  59.80255 8.708906  21.94783       10.79037  
1 1 1 17 3  22 o 70.26987 8.053748  55.26450       7.533468  71.86575       15.06694  38.66323       15.06694  82.56365 9.124437  57.97610 13.27389  24.58755       16.10750  
1 1 1 17 3  23 o 60.91526 9.180395  45.09121       8.739014  77.41222       17.47803  12.77020       17.47803  84.18355 10.38090  37.64698 15.14449  46.53657       18.36079  
1 1 1 17 3  24 o 54.06802 15.58224  38.90148       17.77346  38.90148       17.77346  ?              ?         54.06802 15.58224  ?        ?         ?              ?         
1 1 1 17 4  0  o 309.2115 3.347970  956.5170       20.69917  956.5170       20.69917  956.5170       20.69917  309.2115 3.347970  309.2115 3.347970  0.000000       0.000000  
1 1 1 17 4  1  o 320.7728 1.829169  1030.379       8.281574  955.8975       16.56315  1104.861       16.56315  309.1630 2.678708  332.3825 2.491579  -23.21948      3.658339  
1 1 1 17 4  2  o 292.3869 1.643539  855.0463       6.794893  837.2966       13.58979  872.7959       13.58979  289.3516 2.348317  295.4222 2.300062  -6.070587      3.287077  
1 1 1 17 4  3  o 314.8204 1.749541  991.4778       7.786013  1025.047       15.57203  957.9083       15.57203  320.1519 2.431974  309.4889 2.515765  10.66302       3.499081  
1 1 1 17 4  4  o 697.2684 3.774891  4864.409       37.21466  4740.777       74.42933  4988.042       74.42933  688.4029 5.405943  706.1339 5.270200  -17.73096      7.549783  
1 1 1 17 4  5  f 102.9634 1.074269  106.0785       1.562921  100.9990       3.125841  111.1580       3.125841  100.4967 1.555196  105.4300 1.482425  -4.933304      2.148538  
1 1 1 17 4  6  o 257.8216 1.595754  664.7940       5.818067  657.1605       11.63613  672.4276       11.63613  256.3412 2.269657  259.3020 2.243742  -2.960785      3.191508  
1 1 1 17 4  7  o 620.6515 3.320518  3854.615       29.13322  3726.527       58.26645  3982.703       58.26645  610.3326 4.773335  630.9703 4.617210  -20.63763      6.641037  
1 1 1 17 4  8  o 304.5749 1.719990  930.4905       7.376224  830.2921       14.75245  1030.689       14.75245  288.1260 2.560069  321.0238 2.297719  -32.89780      3.439980  
1 1 1 17 4  9  o 181.5658 1.239217  330.6101       3.168726  365.3708       6.337452  295.8495       6.337452  191.1383 1.657819  171.9933 1.842354  19.14496       2.478433  
1 1 1 17 4  10 o 49.38374 1.631839  24.47305       1.134070  21.68076       2.268141  27.26534       2.268141  46.55661 2.435896  52.21088 2.172096  -5.654274      3.263677  
1 1 1 17 4  11 o 412.9158 2.271288  1706.885       13.25147  1624.027       26.50294  1789.744       26.50294  402.8825 3.289165  422.9492 3.133112  -20.06671      4.542576  
1 1 1 17 4  12 o 82.25943 1.392658  67.68208       1.620101  67.38666       3.240201  67.97752       3.240201  82.07986 1.973810  82.43900 1.965211  -0.3591461     2.785316  
1 1 1 17 4  13 o 319.6761 1.894619  1023.446       8.553178  1086.468       17.10636  960.4243       17.10636  329.5332 2.595544  309.8189 2.760702  19.71432       3.789238  
1 1 1 17 4  14 o 125.3455 1.457573  157.9884       2.563571  180.7079       5.127142  135.2689       5.127142  134.4082 1.907302  116.2827 2.204602  18.12553       2.915146  
1 1 1 17 4  15 o 199.0536 1.545904  396.4910       4.350447  407.8365       8.700893  385.1456       8.700893  201.9034 2.154717  196.2037 2.217311  5.699707       3.091807  
1 1 1 17 4  16 o 159.3457 1.674256  254.6893       3.759587  230.0257       7.519173  279.3530       7.519173  151.6067 2.479829  167.0848 2.250107  -15.47807      3.348512  
1 1 1 17 4  17 o 181.2349 1.810786  329.2617       4.631582  304.9220       9.263164  353.6013       9.263164  174.5199 2.653899  187.9498 2.464265  -13.42987      3.621572  
1 1 1 17 4  18 o 86.37242 3.224354  75.39186       3.902537  63.72713       7.805074  87.05659       7.805074  79.61984 4.901463  93.12499 4.190644  -13.50515      6.448708  
1 1 1 17 4  19 o 107.7137 2.868450  116.6425       4.369507  116.8760       8.739014  116.4090       8.739014  107.8220 4.052517  107.6053 4.060680  0.2167664      5.736900  
1 1 1 17 4  20 o 85.58606 4.225181  74.61040       5.074727  64.10833       10.14945  85.11246       10.14945  79.45068 6.387267  91.72144 5.532760  -12.27076      8.450361  
1 1 1 17 4  21 o 152.8931 3.199304  236.3012       6.909253  223.0021       13.81851  249.6003       13.81851  148.5439 4.651321  157.2422 4.394019  -8.698318      6.398609  
1 1 1 17 4  22 o 83.00361 5.603793  71.77999       6.570938  68.09187       13.14188  75.46811       13.14188  80.78195 8.134166  85.22527 7.710081  -4.443314      11.20759  
1 1 1 17 4  23 o 99.84164 6.563754  109.5093       8.862904  143.8268       17.72581  75.19173       17.72581  117.0276 7.573343  82.65565 10.72268  34.37198       13.12751  
1 1 1 17 4  24 o 33.42884 13.96433  9.015384       15.59109  9.015384       15.59109  ?              ?         33.42884 13.96433  ?        ?         ?              ?         
1 1 1 17 5  0  o 174.4878 2.354954  304.6361       8.214863  304.6361       8.214863  304.6361       8.214863  174.4878 2.354954  174.4878 2.354954  0.000000       0.000000  
1 1 1 17 5  1  o 419.6232 2.263102  1761.245       13.42777  1798.902       26.85555  1723.587       26.85555  424.1103 3.166105  415.1361 3.234548  8.974152       4.526203  
1 1 1 17 5  2  o 1129.208 5.879825  12763.87       93.87054  12412.26       187.7411  13115.48       187.7411  1113.639 8.429174  1144.776 8.199903  -31.13770      11.75965  
1 1 1 17 5  3  o 530.8030 2.837461  2818.546       21.29479  2890.002       42.58959  2747.090       42.58959  537.5339 3.961572  524.0721 4.063333  13.46185       5.674921  
1 1 1 17 5  4  o 844.5001 4.478286  7135.628       53.48238  7065.573       106.9648  7205.684       106.9648  840.3524 6.364281  848.6478 6.302071  -8.295471      8.956572  
1 1 1 17 5  5  o 922.3910 4.866625  8513.623       63.47935  8407.397       126.9587  8619.851       126.9587  916.6328 6.925277  928.1492 6.839348  -11.51636      9.733250  
1 1 1 17 5  6  o 665.1012 3.552764  4425.367       33.41696  4441.534       66.83392  4409.199       66.83392  666.3167 5.015177  663.8857 5.033540  2.430908       7.105528  
1 1 1 17 5  7  o 912.9529 4.749333  8344.100       61.29222  8058.933       122.5844  8629.266       122.5844  897.3351 6.830472  928.5708 6.600706  -31.23572      9.498666  
1 1 1 17 5  8  o 335.0014 1.880046  1124.950       8.877199  1018.929       17.75440  1230.972       17.75440  319.1774 2.781275  350.8254 2.530375  -31.64801      3.760092  
1 1 1 17 5  9  o 329.0591 1.851857  1084.467       8.600828  1005.968       17.20166  1162.965       17.20166  317.1314 2.712071  340.9869 2.522334  -23.85550      3.703714  
1 1 1 17 5  10 o 198.1653 1.284270  394.6041       3.573751  448.5392       7.147503  340.6690       7.147503  211.7739 1.687532  184.5567 1.936398  27.21721       2.568540  
1 1 1 17 5  11 o 242.0672 1.499327  587.9774       5.108082  654.3301       10.21616  521.6248       10.21616  255.7726 1.997119  228.3617 2.236838  27.41086       2.998654  
1 1 1 17 5  12 o 135.7353 1.213878  184.2769       2.330086  185.7874       4.660172  182.7664       4.660172  136.2917 1.709631  135.1789 1.723705  1.112823       2.427756  
1 1 1 17 5  13 o 124.2142 1.314295  154.4433       2.306261  146.1521       4.612522  162.7344       4.612522  120.8767 1.907945  127.5516 1.808101  -6.674843      2.628589  
1 1 1 17 5  14 o 54.32157 3.068292  31.25841       2.158546  45.47718       4.317091  17.03965       4.317091  67.40916 3.202155  41.23398 5.234871  26.17517       6.136585  
1 1 1 17 5  15 o 163.5317 1.579482  267.9265       3.645226  287.8824       7.290452  247.9707       7.290452  169.6332 2.148887  157.4302 2.315456  12.20303       3.158964  
1 1 1 17 5  16 o 169.6609 1.654665  288.0920       3.969247  281.0017       7.938493  295.1823       7.938493  167.5713 2.368691  171.7504 2.311055  -4.179108      3.309331  
1 1 1 17 5  17 o 89.46687 2.485961  80.45706       3.130606  89.42002       6.261212  71.49409       6.261212  94.47598 3.313653  84.45777 3.706712  10.01820       4.971922  
1 1 1 17 5  18 o 21.23288 6.136220  0.5575052      3.097251  -3.630931      6.194502  4.745942       6.194502  17.69145 8.037596  24.77431 9.274148  -7.082857      12.27244  
1 1 1 17 5  19 o 155.9412 2.376225  244.3541       5.231973  260.2740       10.46395  228.4342       10.46395  161.0457 3.248751  150.8368 3.468632  10.20889       4.752451  
1 1 1 17 5  20 o 123.0627 2.828373  152.3895       4.922247  153.8333       9.844495  150.9457       9.844495  123.6493 3.980811  122.4761 4.018944  1.173218       5.656745  
1 1 1 17 5  21 o 102.3770 3.985737  106.5216       5.765652  101.4755       11.53130  111.5677       11.53130  99.91251 5.770701  104.8415 5.499400  -4.928963      7.971474  
1 1 1 17 5  22 o 40.45313 8.607925  18.27378       5.398747  14.59997       10.79749  21.94760       10.79749  36.87498 12.38806  44.03127 11.95498  -7.156288      17.21585  
1 1 1 17 5  23 o 46.10143 9.335947  23.52481       7.681183  44.09533       15.36237  2.954301       15.36237  61.14171 12.95790  31.06115 13.44367  30.08055       18.67189  
1 1 1 17 5  24 o 47.42640 15.24989  30.23870       16.39161  30.23870       16.39161  ?              ?         47.42640 15.24989  ?        ?         ?              ?         
1 1 1 17 6  0  o 189.0604 2.271579  357.6039       8.586533  357.6039       8.586533  357.6039       8.586533  189.0604 2.271579  189.0604 2.271579  0.000000       0.000000  
1 1 1 17 6  1  o 763.5903 4.048756  5834.030       43.70936  5993.982       87.41872  5674.079       87.41872  774.0640 5.646738  753.1167 5.803797  20.94727       8.097512  
1 1 1 17 6  2  o 863.9836 4.535226  7469.870       55.39791  7677.610       110.7958  7262.130       110.7958  876.0059 6.323920  851.9614 6.502396  24.04449       9.070453  
1 1 1 17 6  3  o 571.2577 3.018356  3265.594       24.36822  3404.175       48.73644  3127.013       48.73644  583.3871 4.177024  559.1282 4.358253  24.25885       6.036713  
1 1 1 17 6  4  f 707.2426 3.752762  5003.771       37.53392  5043.869       75.06784  4963.674       75.06784  710.0774 5.285892  704.4078 5.328436  5.669556       7.505523  
1 1 1 17 6  5  o 471.7713 2.545677  2230.826       16.93005  2436.527       33.86010  2025.126       33.86010  493.5721 3.430107  449.9704 3.762481  43.60172       5.091355  
1 1 1 17 6  6  o 589.0239 3.180172  3470.813       26.48865  3524.310       52.97729  3417.317       52.97729  593.5651 4.462636  584.4828 4.531981  9.082275       6.360343  
1 1 1 17 6  7  o 281.4440 1.801031  792.7010       7.161798  832.2553       14.32360  753.1467       14.32360  288.4710 2.482675  274.4170 2.609823  14.05405       3.602062  
1 1 1 17 6  8  o 589.3394 3.130302  3476.255       26.07409  3614.368       52.14819  3338.141       52.14819  601.0571 4.338039  577.6218 4.514043  23.43530       6.260604  
1 1 1 17 6  9  o 571.9189 3.079716  3273.661       24.90190  3365.264       49.80380  3182.059       49.80380  579.9273 4.293969  563.9106 4.415930  16.01666       6.159432  
1 1 1 17 6  10 o 55.82906 1.652174  31.46331       1.286550  25.48323       2.573101  37.44339       2.573101  50.47336 2.548969  61.18476 2.102730  -10.71140      3.304348  
1 1 1 17 6  11 f 201.6329 1.356881  409.6519       3.826297  339.6112       7.652593  479.6928       7.652593  184.2645 2.076524  219.0013 1.747157  -34.73676      2.713763  
1 1 1 17 6  12 o 76.18803 1.646913  59.47675       1.710636  41.36975       3.421271  77.58376       3.421271  64.30492 2.660194  88.07113 1.942334  -23.76620      3.293827  
1 1 1 17 6  13 o 331.5443 1.974237  1100.120       9.253634  1067.484       18.50727  1132.755       18.50727  326.6225 2.833128  336.4660 2.750243  -9.843475      3.948475  
1 1 1 17 6  14 o 103.2373 1.537249  107.2268       2.225256  91.13543       4.450512  123.3182       4.450512  95.44391 2.331481  111.0307 2.004180  -15.58681      3.074499  
1 1 1 17 6  15 o 200.3779 1.564311  401.7850       4.431452  389.9297       8.862904  413.6403       8.862904  197.4197 2.244686  203.3362 2.179372  -5.916489      3.128623  
1 1 1 17 6  16 o 74.75469 2.701817  56.13650       2.844706  50.30890       5.689413  61.96408       5.689413  70.85688 4.014721  78.65250 3.616803  -7.795624      5.403633  
1 1 1 17 6  17 o 227.6301 1.783902  518.7706       5.741827  529.1534       11.48365  508.3876       11.48365  229.9108 2.497416  225.3494 2.547966  4.561325       3.567803  
1 1 1 17 6  18 o 127.8980 2.183421  164.0543       3.945422  172.3882       7.890843  155.7203       7.890843  131.1561 3.008188  124.6400 3.165455  6.516129       4.366842  
1 1 1 17 6  19 o 54.24961 5.626419  34.60345       3.664287  58.37127       7.328573  10.83561       7.328573  76.09734 4.815262  32.40187 10.17053  43.69547       11.25284  
1 1 1 17 6  20 o 44.12191 7.120316  21.11849       4.379037  16.40114       8.758074  25.83584       8.758074  38.97811 10.84464  49.26572 9.229812  -10.28761      14.24063  
1 1 1 17 6  21 o 67.50577 5.721548  47.19735       5.436867  42.12262       10.87373  52.27207       10.87373  63.74703 8.528816  71.26450 7.629137  -7.517471      11.44310  
1 1 1 17 6  22 o 50.62425 7.969020  28.94263       6.275507  48.97469       12.55101  8.910554       12.55101  68.09906 9.215263  33.14944 13.00385  34.94962       15.93804  
1 1 1 17 6  23 o 30.77255 9.565373  1.243666       8.029028  1.753521       16.05806  0.7338103      16.05806  31.00156 13.58139  30.54353 13.47336  0.4580288      19.13075  
1 1 1 17 6  24 o 33.48595 13.58668  11.11199       14.23783  11.11199       14.23783  ?              ?         33.48595 13.58668  ?        ?         ?              ?         
1 1 1 17 7  0  o 140.1644 1.996461  196.5849       5.594112  196.5849       5.594112  196.5849       5.594112  140.1644 1.996461  140.1644 1.996461  0.000000       0.000000  
1 1 1 17 7  1  o 628.1669 3.372287  3949.591       29.92898  4150.612       59.85795  3748.570       59.85795  644.1676 4.646147  612.1663 4.889028  32.00134       6.744574  
1 1 1 17 7  2  f 196.0693 1.172968  384.6595       3.249731  366.5049       6.499463  402.8142       6.499463  191.4397 1.697522  200.6990 1.619207  -9.259308      2.345935  
1 1 1 17 7  3  o 680.1436 3.575820  4627.985       34.38902  4724.852       68.77805  4531.117       68.77805  687.2646 5.003752  673.0224 5.109640  14.24225       7.151640  
1 1 1 17 7  4  o 309.9358 1.927574  960.7292       8.448348  948.6261       16.89670  972.8323       16.89670  307.9832 2.743120  311.8883 2.708774  -3.905029      3.855148  
1 1 1 17 7  5  o 740.6277 3.916980  5487.753       41.02666  5488.672       82.05333  5486.833       82.05333  740.6898 5.538981  740.5656 5.539911  0.1242065      7.833960  
1 1 1 17 7  6  o 554.5221 2.972473  3075.833       23.31039  3087.406       46.62078  3064.259       46.62078  555.5657 4.195793  553.4785 4.211616  2.087219       5.944947  
1 1 1 17 7  7  o 392.9306 2.279359  1544.342       12.66537  1563.683       25.33075  1525.001       25.33075  395.3918 3.203247  390.4695 3.243628  4.922302       4.558718  
1 1 1 17 7  8  o 396.8072 2.206925  1575.396       12.37947  1627.734       24.75895  1523.057       24.75895  403.4022 3.068768  390.2122 3.172498  13.18994       4.413850  
1 1 1 17 7  9  o 304.2931 1.757700  927.4695       7.547763  997.5723       15.09553  857.3668       15.09553  315.8120 2.389954  292.7742 2.578015  23.03787       3.515401  
1 1 1 17 7  10 f 297.6721 1.713826  888.3250       7.190388  972.4225       14.38078  804.2275       14.38078  311.7980 2.306104  283.5463 2.535878  28.25171       3.427651  
1 1 1 17 7  11 o 448.5714 2.462246  2014.324       15.61015  1932.246       31.22029  2096.401       31.22029  439.4226 3.552423  457.7201 3.410413  -18.29749      4.924492  
1 1 1 17 7  12 o 335.4894 1.948471  1126.141       9.244103  1139.512       18.48821  1112.771       18.48821  337.4821 2.739139  333.4967 2.771873  3.985413       3.896942  
1 1 1 17 7  13 o 224.2723 1.491580  503.4368       4.726882  479.7119       9.453763  527.1617       9.453763  218.9830 2.158561  229.5616 2.059091  -10.57861      2.983160  
1 1 1 17 7  14 o 199.3133 1.476265  398.0921       4.150317  431.2422       8.300633  364.9420       8.300633  207.6294 1.998906  190.9973 2.172972  16.63217       2.952530  
1 1 1 17 7  15 o 149.8225 1.602757  224.7175       3.392681  213.3672       6.785362  236.0677       6.785362  146.0346 2.323204  153.6104 2.208628  -7.575790      3.205513  
1 1 1 17 7  16 o 168.0874 1.718202  283.6558       4.064547  251.4873       8.129093  315.8243       8.129093  158.5184 2.564085  177.6564 2.287869  -19.13799      3.436405  
1 1 1 17 7  17 f 55.28486 4.089938  30.74855       3.197316  30.20058       6.394632  31.29653       6.394632  54.78926 5.835662  55.78045 5.731965  -0.9911880     8.179876  
1 1 1 17 7  18 o 41.38792 6.185244  18.28808       3.626166  10.02556       7.252333  26.55059       7.252333  31.57167 10.14285  51.20418 7.081779  -19.63251      12.37049  
1 1 1 17 7  19 o 80.13568 3.664353  64.94221       4.140787  59.30521       8.281574  70.57921       8.281574  76.61852 5.404420  83.65283 4.949966  -7.034309      7.328705  
1 1 1 17 7  20 o 74.07212 4.657935  55.86012       4.879362  55.91254       9.758724  55.80770       9.758724  74.10751 6.584167  74.03674 6.590460  0.7077026E-01  9.315869  
1 1 1 17 7  21 o 69.53149 5.220690  49.75615       5.122376  53.45379       10.24475  46.05851       10.24475  72.19047 7.095642  66.87252 7.659913  5.317947       10.44138  
1 1 1 17 7  22 o 30.93548 8.946353  4.102667       6.504228  -3.430801      13.00846  11.63613       13.00846  26.46436 11.86187  35.40660 13.39571  -8.942242      17.89271  
1 1 1 17 7  23 o 39.33512 9.822678  15.15747       7.600178  28.91403       15.20036  1.400911       15.20036  48.49363 14.53457  30.17662 13.21689  18.31701       19.64536  
1 1 1 17 7  24 o 29.47467 13.29367  1.334201       16.58221  1.334201       16.58221  ?              ?         29.47467 13.29367  ?        ?         ?              ?         
1 1 1 17 8  0  o 932.1525 9.692841  8697.082       180.6603  8697.082       180.6603  8697.082       180.6603  932.1525 9.692841  932.1525 9.692841  0.000000       0.000000  
1 1 1 17 8  1  o 267.9453 1.574376  717.9953       5.965783  715.3030       11.93157  720.6874       11.93157  267.4430 2.230675  268.4477 2.222326  -1.004761      3.148752  
1 1 1 17 8  2  o 241.1998 1.452974  582.2261       4.950837  613.5131       9.901674  550.9391       9.901674  247.6855 1.998840  234.7141 2.109305  12.97142       2.905947  
1 1 1 17 8  3  o 553.1409 3.104614  3061.899       24.26815  2925.949       48.53631  3197.850       48.53631  540.8519 4.487024  565.4297 4.291984  -24.57782      6.209228  
1 1 1 17 8  4  o 389.4662 2.183678  1517.077       12.02687  1534.302       24.05373  1499.851       24.05373  391.6776 3.070603  387.2548 3.105672  4.422852       4.367356  
1 1 1 17 8  5  o 679.6760 3.574393  4621.571       34.35566  4569.265       68.71133  4673.876       68.71133  675.8282 5.083490  683.5238 5.026257  -7.695557      7.148786  
1 1 1 17 8  6  o 212.9346 1.456075  453.5091       4.383801  464.4066       8.767603  442.6115       8.767603  215.4935 2.034308  210.3757 2.083796  5.117783       2.912150  
1 1 1 17 8  7  o 448.9478 2.440637  2016.077       15.49579  2018.988       30.99157  2013.166       30.99157  449.2720 3.449088  448.6235 3.454074  0.6485291      4.881274  
1 1 1 17 8  8  o 161.5821 1.148158  261.6176       2.615986  284.7089       5.231973  238.5265       5.231973  168.7274 1.550422  154.4367 1.693889  14.29071       2.296316  
1 1 1 17 8  9  o 561.1283 3.033059  3152.120       24.05373  3022.593       48.10746  3281.647       48.10746  549.5866 4.376695  572.6699 4.200278  -23.08331      6.066118  
1 1 1 17 8  10 o 587.6707 3.150377  3457.138       26.17892  3523.300       52.35784  3390.976       52.35784  593.2999 4.412426  582.0415 4.497776  11.25836       6.300754  
1 1 1 17 8  11 o 127.7678 1.215350  163.4777       2.191901  151.9178       4.383801  175.0376       4.383801  123.2440 1.778505  132.2916 1.656871  -9.047585      2.430700  
1 1 1 17 8  12 o 332.7211 1.962086  1107.839       9.229809  1137.959       18.45962  1077.720       18.45962  337.2473 2.736807  328.1948 2.812296  9.052490       3.924171  
1 1 1 17 8  13 o 180.1459 1.462600  325.1875       3.716702  298.4321       7.433403  351.9431       7.433403  172.7198 2.151867  187.5719 1.981480  -14.85211      2.925200  
1 1 1 17 8  14 o 250.8848 1.634621  629.7713       5.799007  618.4401       11.59801  641.1025       11.59801  248.6266 2.332417  253.1431 2.290802  -4.516495      3.269242  
1 1 1 17 8  15 o 156.7618 1.590527  245.8598       3.526102  246.6460       7.052203  245.0736       7.052203  157.0126 2.245744  156.5111 2.252941  0.5015259      3.181055  
1 1 1 17 8  16 o 327.0215 2.207988  1071.087       10.20663  1033.109       20.41327  1109.064       20.41327  321.2149 3.177509  332.8280 3.066640  -11.61304      4.415976  
1 1 1 17 8  17 o 97.24213 2.423385  94.80448       3.330736  98.52119       6.661473  91.08778       6.661473  99.15318 3.359183  95.33107 3.493863  3.822105       4.846770  
1 1 1 17 8  18 o 98.45023 2.809474  98.66414       3.831062  75.85883       7.662123  121.4694       7.662123  86.86808 4.410207  110.0324 3.481759  -23.16428      5.618948  
1 1 1 17 8  19 o 104.9004 3.198692  110.8959       4.741177  105.5924       9.482354  116.1993       9.482354  102.3725 4.631298  107.4282 4.413344  -5.055687      6.397384  
1 1 1 17 8  20 o 115.2935 2.903402  133.9585       4.731647  138.7854       9.463295  129.1315       9.463295  117.3869 4.030815  113.2002 4.179893  4.186668       5.806805  
1 1 1 17 8  21 o 30.69639 8.430609  4.726882       5.722767  13.96145       11.44553  -4.507692      11.44553  36.92451 12.74475  24.46827 11.03957  12.45624       16.86122  
1 1 1 17 8  22 o 126.2595 3.886456  163.2490       6.894957  184.1483       13.78991  142.3497       13.78991  134.5358 5.124999  117.9831 5.844019  16.55267       7.772913  
1 1 1 17 8  23 o 41.33868 9.683095  20.07495       6.623353  17.75440       13.24671  22.39551       13.24671  39.39108 13.69985  43.28628 13.68808  -3.895199      19.36619  
1 1 1 17 9  0  o 784.8334 8.144262  6164.273       127.8069  6164.273       127.8069  6164.273       127.8069  784.8334 8.144262  784.8334 8.144262  0.000000       0.000000  
1 1 1 17 9  1  o 350.7458 1.926168  1230.390       9.553828  1245.381       19.10766  1215.400       19.10766  352.8828 2.707366  348.6089 2.740558  4.273956       3.852336  
1 1 1 17 9  2  o 450.6246 2.470737  2031.516       15.73880  2099.927       31.47760  1963.104       31.47760  458.2154 3.434804  443.0339 3.552505  15.18146       4.941475  
1 1 1 17 9  3  o 468.7129 2.590841  2197.338       17.17307  2176.396       34.34613  2218.280       34.34613  466.4789 3.681424  470.9469 3.646497  -4.468048      5.181682  
1 1 1 17 9  4  o 831.7995 4.508701  6923.163       53.03448  6834.299       106.0690  7012.024       106.0690  826.4579 6.417081  837.1411 6.335189  -10.68323      9.017403  
1 1 1 17 9  5  o 477.1725 2.571670  2277.424       17.35414  2268.332       34.70827  2286.515       34.70827  476.2199 3.644144  478.1252 3.629622  -1.905243      5.143340  
1 1 1 17 9  6  o 308.3391 1.819147  951.8902       7.919433  1014.974       15.83887  888.8063       15.83887  318.5687 2.485942  298.1094 2.656553  20.45929       3.638294  
1 1 1 17 9  7  o 389.6899 2.167717  1520.574       11.92680  1420.114       23.85360  1621.035       23.85360  376.8000 3.165286  402.5797 2.962594  -25.77963      4.335435  
1 1 1 17 9  8  o 285.0941 1.684432  813.0284       6.790127  795.1550       13.58025  830.9020       13.58025  281.9594 2.408193  288.2288 2.355812  -6.269348      3.368864  
1 1 1 17 9  9  o 100.4209 1.209995  104.0105       1.639161  68.33013       3.278321  139.6908       3.278321  82.65553 1.983123  118.1863 1.386930  -35.53079      2.419990  
1 1 1 17 9  10 o 82.06831 1.355088  67.37237       1.572451  68.87334       3.144901  65.87139       3.144901  82.98277 1.894912  81.15384 1.937617  1.828934       2.710176  
1 1 1 17 9  11 o 84.64685 1.522624  73.25238       1.763051  94.55670       3.526102  51.94805       3.526102  97.23109 1.813258  72.06261 2.446554  25.16848       3.045247  
1 1 1 17 9  12 o 181.2758 1.363002  329.0901       3.487981  306.3896       6.975962  351.7905       6.975962  175.0145 1.992967  187.5371 1.859888  -12.52260      2.726005  
1 1 1 17 9  13 o 285.8972 1.748933  817.7745       7.071262  819.7901       14.14252  815.7589       14.14252  286.2496 2.470313  285.5446 2.476412  0.7049866      3.497866  
1 1 1 17 9  14 o 332.9511 1.974276  1110.450       9.282225  1180.548       18.56445  1040.352       18.56445  343.4778 2.702423  322.4243 2.878885  21.05353       3.948552  
1 1 1 17 9  15 o 38.82090 4.707438  17.31125       2.515921  3.087722       5.031842  31.53478       5.031842  21.54172 8.278124  56.10007 4.484703  -34.55834      9.414876  
1 1 1 17 9  16 o 111.5682 2.071762  124.6191       3.268791  123.7471       6.537583  125.4911       6.537583  111.1774 2.940159  111.9590 2.919634  -0.7815781     4.143524  
1 1 1 17 9  17 o 92.16562 2.705650  85.50320       3.507041  95.84325       7.014082  75.16314       7.014082  97.77512 3.586844  86.55612 4.051754  11.21899       5.411299  
1 1 1 17 9  18 o 71.59502 3.684149  54.34008       3.440331  78.03167       6.880662  30.64849       6.880662  88.14058 3.903232  55.04946 6.249528  33.09112       7.368299  
1 1 1 17 9  19 o 214.0304 2.071968  459.5177       6.270743  451.1504       12.54149  467.8851       12.54149  212.0757 2.956842  215.9851 2.903322  -3.909424      4.143935  
1 1 1 17 9  20 o 84.85284 3.820325  72.99506       4.583931  74.17202       9.167863  71.81811       9.167863  85.54636 5.358418  84.15931 5.446732  1.387054       7.640650  
1 1 1 17 9  21 o 33.33345 7.499045  4.450512       5.494047  24.74942       10.98809  -15.84840      10.98809  47.19297 11.68782  19.47393 9.398807  27.71904       14.99809  
1 1 1 17 9  22 o 84.12764 5.742431  74.20061       6.794893  65.67126       13.58979  82.72997       13.58979  79.05834 8.594784  89.19693 7.617856  -10.13859      11.48486  
1 1 1 17 9  23 f 47.16836 9.934133  27.17957       7.233273  21.84277       14.46655  32.51637       14.46655  42.66770 14.33917  51.66902 13.75267  -9.001320      19.86827  
1 1 1 17 10 0  o 115.1087 1.888780  132.6100       4.345681  132.6100       4.345681  132.6100       4.345681  115.1087 1.888780  115.1087 1.888780  0.000000       0.000000  
1 1 1 17 10 1  o 1234.230 6.374407  15248.82       111.2628  15285.84       222.5256  15211.79       222.5256  1235.730 9.003812  1232.730 9.025722  2.999756       12.74881  
1 1 1 17 10 2  o 554.1343 3.001226  3074.613       23.48193  3275.186       46.96386  2874.040       46.96386  572.2322 4.103567  536.0364 4.380660  36.19580       6.002453  
1 1 1 17 10 3  o 1330.599 6.962576  17730.43       130.9899  17304.11       261.9798  18156.75       261.9798  1314.579 9.964397  1346.619 9.727316  -32.04004      13.92515  
1 1 1 17 10 4  o 643.0134 3.574229  4136.327       32.50208  4110.548       65.00415  4162.105       65.00415  641.0089 5.070457  645.0180 5.038941  -4.009094      7.148458  
1 1 1 17 10 5  o 349.3197 1.915297  1221.489       9.448999  1148.146       18.89800  1294.832       18.89800  338.8218 2.788782  359.8177 2.626052  -20.99591      3.830594  
1 1 1 17 10 6  f 191.7087 1.257781  367.7676       3.406976  385.8127       6.813953  349.7225       6.813953  196.4151 1.734580  187.0024 1.821890  9.412735       2.515561  
1 1 1 17 10 7  f 593.0905 3.295443  3519.754       27.63701  3586.512       55.27402  3452.997       55.27402  598.7184 4.616028  587.4625 4.704473  11.25592       6.590886  
1 1 1 17 10 8  o 192.6872 1.301657  371.4557       3.545162  385.3648       7.090323  357.5467       7.090323  196.2965 1.806024  189.0780 1.874973  7.218460       2.603315  
1 1 1 17 10 9  o 92.89537 1.269345  88.63857       1.601040  117.0094       3.202081  60.26774       3.202081  108.1657 1.480174  77.62507 2.062531  30.54061       2.538690  
1 1 1 17 10 10 o 236.9353 1.464755  564.7910       4.865067  478.8445       9.730133  650.7372       9.730133  218.7983 2.223540  255.0724 1.907328  -36.27414      2.929510  
1 1 1 17 10 11 o 120.1425 1.477969  144.3796       2.511156  145.0181       5.022312  143.7410       5.022312  120.4082 2.085536  119.8767 2.094782  0.5314560      2.955939  
1 1 1 17 10 12 o 309.4819 1.835569  958.2657       8.033793  957.2221       16.06759  959.3093       16.06759  309.3133 2.597300  309.6505 2.594472  -0.3371887     3.671138  
1 1 1 17 10 13 o 295.3392 1.850072  872.9674       7.724069  844.0819       15.44814  901.8528       15.44814  290.4490 2.659354  300.2294 2.572722  -9.780396      3.700144  
1 1 1 17 10 14 o 261.6297 1.649721  684.8595       6.103968  685.9601       12.20794  683.7587       12.20794  261.8401 2.331182  261.4193 2.334934  0.4207153      3.299443  
1 1 1 17 10 15 o 165.3428 1.565514  273.5826       3.659522  281.3924       7.319043  265.7728       7.319043  167.7045 2.182125  162.9811 2.245366  4.723434       3.131028  
1 1 1 17 10 16 o 216.2224 1.723982  468.0185       5.270092  481.2366       10.54018  454.8003       10.54018  219.2790 2.403373  213.1658 2.472297  6.113205       3.447963  
1 1 1 17 10 17 o 100.6138 2.471829  101.4993       3.516572  103.6197       7.033143  99.37888       7.033143  101.6675 3.458894  99.56005 3.532111  2.107483       4.943658  
1 1 1 17 10 18 o 175.6245 2.019436  309.3201       5.012782  321.4375       10.02556  297.2027       10.02556  179.0743 2.799275  172.1747 2.911451  6.899597       4.038872  
1 1 1 17 10 19 o 79.08645 3.872604  63.26970       4.326622  66.63379       8.653244  59.90561       8.653244  81.21329 5.327480  76.95960 5.621939  4.253693       7.745208  
1 1 1 17 10 20 o 38.62332 8.120502  15.36713       5.227207  5.813303       10.45441  24.92096       10.45441  29.65887 11.79478  47.58777 11.16483  -17.92889      16.24100  
1 1 1 17 10 21 o 24.22692 7.738979  -4.941308      5.698943  -6.899723      11.39789  -2.982891      11.39789  23.31063 10.69282  25.14322 11.19065  -1.832596      15.47796  
1 1 1 17 10 22 o 37.26371 9.186565  14.80963       5.984842  12.24605       11.96968  17.37320       11.96968  35.10390 12.94016  39.42353 13.04316  -4.319633      18.37313  
1 1 1 17 10 23 o 40.78466 14.31256  19.75570       14.48561  19.75570       14.48561  ?              ?         40.78466 14.31256  ?        ?         ?              ?         
1 1 1 17 11 0  o 534.0387 5.973558  2853.683       63.78432  2853.683       63.78432  2853.683       63.78432  534.0387 5.973558  534.0387 5.973558  0.000000       0.000000  
1 1 1 17 11 1  o 764.1145 3.979583  5841.063       43.00414  5828.932       86.00828  5853.195       86.00828  763.3207 5.633824  764.9084 5.622130  -1.587708      7.959166  
1 1 1 17 11 2  o 539.7643 2.935977  2914.275       22.40980  2872.353       44.81960  2956.198       44.81960  535.8809 4.181862  543.6477 4.122119  -7.766785      5.871953  
1 1 1 17 11 3  o 300.6271 1.726444  904.3926       7.333338  948.8357       14.66668  859.9494       14.66668  308.0188 2.380808  293.2353 2.500837  14.78351       3.452888  
1 1 1 17 11 4  o 440.7353 2.447947  1942.877       15.25754  1958.435       30.51507  1927.319       30.51507  442.5003 3.448029  438.9703 3.475756  3.529968       4.895895  
1 1 1 17 11 5  o 511.9820 2.764113  2622.424       20.00824  2692.550       40.01649  2552.297       40.01649  518.8306 3.856412  505.1335 3.960982  13.69711       5.528226  
1 1 1 17 11 6  o 578.8842 3.096720  3353.098       25.34505  3442.314       50.69009  3263.883       50.69009  586.5899 4.320744  571.1783 4.437327  15.41156       6.193440  
1 1 1 17 11 7  o 597.3315 3.180517  3570.235       26.86508  3626.128       53.73016  3514.342       53.73016  602.0101 4.462564  592.6529 4.533021  9.357178       6.361034  
1 1 1 17 11 8  o 258.4288 1.612945  668.0199       5.894307  678.8412       11.78861  657.1986       11.78861  260.5225 2.262495  256.3352 2.299453  4.187347       3.225890  
1 1 1 17 11 9  o 341.1386 1.929062  1164.204       9.306048  1149.318       18.61210  1179.090       18.61210  338.9568 2.745497  343.3204 2.710602  -4.363586      3.858124  
1 1 1 17 11 10 o 446.3441 2.463615  1993.725       15.54820  1950.267       31.09640  2037.181       31.09640  441.4760 3.521868  451.2122 3.445874  -9.736115      4.927230  
1 1 1 17 11 11 o 385.5324 2.184910  1487.224       11.91251  1477.980       23.82501  1496.468       23.82501  384.3336 3.099522  386.7313 3.080305  -2.397766      4.369819  
1 1 1 17 11 12 o 185.4051 1.390337  343.8664       3.645226  348.6933       7.290452  339.0394       7.290452  186.7068 1.952380  184.1033 1.979989  2.603455       2.780674  
1 1 1 17 11 13 o 282.9729 1.742794  801.7306       6.966432  845.8926       13.93286  757.5686       13.93286  290.7761 2.395806  275.1696 2.531687  15.60648       3.485588  
1 1 1 17 11 14 o 203.7091 1.531616  415.1699       4.412392  414.0787       8.824783  416.2610       8.824783  203.4412 2.168878  203.9769 2.163182  -0.5356598     3.063231  
1 1 1 17 11 15 o 147.2069 1.647864  218.4372       3.392681  181.1749       6.785362  255.6996       6.785362  134.5505 2.521493  159.8634 2.122238  -25.31288      3.295727  
1 1 1 17 11 16 o 54.77372 3.795198  30.26253       2.920946  34.19365       5.841892  26.33140       5.841892  58.36224 5.004857  51.18521 5.706621  7.177025       7.590396  
1 1 1 17 11 17 o 132.3841 2.163623  176.3003       4.026426  198.4909       8.052853  154.1097       8.052853  140.7653 2.860384  124.0030 3.247040  16.76229       4.327247  
1 1 1 17 11 18 o 76.77250 3.701943  59.58634       4.002602  65.79515       8.005203  53.37755       8.005203  80.81613 4.952726  72.72887 5.503457  8.087265       7.403887  
1 1 1 17 11 19 o 147.7294 2.538517  219.2949       5.303447  218.2180       10.60689  220.3718       10.60689  147.3650 3.598852  148.0939 3.581138  -0.7289581     5.077035  
1 1 1 17 11 20 o 27.44916 7.877192  3.068661       4.941307  -1.915531      9.882613  8.052853       9.882613  23.94809 10.56612  30.95023 11.68579  -7.002138      15.75438  
1 1 1 17 11 21 o 70.67667 6.176019  55.62663       5.398747  81.82461       10.79749  29.42865       10.79749  89.57071 6.027358  51.78262 10.78164  37.78809       12.35204  
1 1 1 17 11 22 o 88.15961 5.911625  82.02475       7.366693  79.17527       14.73339  84.87421       14.73339  86.54353 8.512126  89.77569 8.205667  -3.232162      11.82325  
1 1 1 17 11 23 o 41.13432 14.37526  20.47045       14.59997  20.47045       14.59997  ?              ?         41.13432 14.37526  ?        ?         ?              ?         
1 1 1 17 12 0  o 1334.503 13.78947  17837.88       367.9535  17837.88       367.9535  17837.88       367.9535  1334.503 13.78947  1334.503 13.78947  0.000000       0.000000  
1 1 1 17 12 1  o 137.0872 1.115777  188.4796       2.153781  208.7071       4.307562  168.2522       4.307562  144.4647 1.490870  129.7096 1.660464  14.75517       2.231554  
1 1 1 17 12 2  o 176.4660 1.139706  312.4269       2.830411  347.9404       5.660822  276.9133       5.660822  186.5284 1.517416  166.4035 1.700932  20.12488       2.279412  
1 1 1 17 12 3  o 270.9108 1.676613  734.0152       6.423223  742.3492       12.84645  725.6813       12.84645  272.4489 2.357588  269.3726 2.384512  3.076294       3.353225  
1 1 1 17 12 4  o 169.3378 1.307040  288.1969       3.106781  328.6708       6.213562  247.7229       6.213562  181.2884 1.713723  157.3871 1.973974  23.90129       2.614081  
1 1 1 17 12 5  o 278.5705 1.708124  777.2910       6.713887  716.6277       13.42777  837.9541       13.42777  267.6822 2.508157  289.4588 2.319463  -21.77661      3.416249  
1 1 1 17 12 6  o 594.9742 3.150628  3541.812       26.50771  3595.994       53.01541  3487.629       53.01541  599.5275 4.421432  590.4208 4.489629  9.106689       6.301257  
1 1 1 17 12 7  o 82.42285 1.159148  68.99723       1.319906  85.94157       2.639811  52.05288       2.639811  92.70177 1.423819  72.14394 1.829545  20.55782       2.318296  
1 1 1 17 12 8  f 194.1425 1.296449  377.3023       3.554691  354.6305       7.109383  399.9743       7.109383  188.3036 1.887745  199.9815 1.777510  -11.67795      2.592899  
1 1 1 17 12 9  o 205.8350 1.373380  423.7563       3.997837  423.9041       7.995674  423.6087       7.995674  205.8709 1.941914  205.7991 1.942592  0.7177734E-01  2.746760  
1 1 1 17 12 10 o 180.8478 1.268851  327.1317       3.244966  322.7907       6.489933  331.4726       6.489933  179.6477 1.806294  182.0480 1.782478  -2.400314      2.537702  
1 1 1 17 12 11 o 95.20163 1.411548  90.93529       1.891706  100.9799       3.783412  80.89068       3.783412  100.4771 1.882724  89.92619 2.103621  10.55089       2.823096  
1 1 1 17 12 12 o 159.2892 1.442930  253.8507       3.249731  260.1119       6.499463  247.5895       6.499463  161.2545 2.015280  157.3238 2.065632  3.930725       2.885861  
1 1 1 17 12 13 o 218.0969 1.536410  476.0046       4.736412  493.5780       9.472824  458.4313       9.472824  222.1257 2.132312  214.0681 2.212572  8.057587       3.072821  
1 1 1 17 12 14 o 138.3623 1.568728  191.5721       3.068661  197.0138       6.137322  186.1305       6.137322  140.3288 2.186765  136.3959 2.249820  3.932892       3.137456  
1 1 1 17 12 15 o 373.3561 2.229971  1395.707       11.77432  1391.133       23.54864  1400.282       23.54864  372.7436 3.158826  373.9688 3.148477  -1.225189      4.459943  
1 1 1 17 12 16 o 229.5320 1.740995  527.6620       5.646527  552.9213       11.29305  502.4027       11.29305  235.0344 2.402426  224.0297 2.520437  11.00468       3.481990  
1 1 1 17 12 17 o 88.29225 2.832568  78.79407       3.497512  92.25043       6.995024  65.33770       6.995024  95.91261 3.646561  80.67190 4.335477  15.24072       5.665136  
1 1 1 17 12 18 o 51.36575 5.094426  26.80790       3.697641  28.04680       7.395282  25.56900       7.395282  52.57171 7.033519  50.15979 7.371724  2.411922       10.18885  
1 1 1 17 12 19 o 40.88089 6.887795  18.04506       3.978776  22.61470       7.957553  13.47543       7.957553  46.13987 8.942439  35.62191 10.47853  10.51796       13.77559  
1 1 1 17 12 20 o 187.5088 2.255545  354.3160       5.956253  317.2062       11.91251  391.4258       11.91251  177.6133 3.353494  197.4043 3.017286  -19.79099      4.511090  
1 1 1 17 12 21 o 37.02652 8.292939  11.82197       5.860952  -2.878061      11.72190  26.52200       11.72190  25.48505 11.34553  48.56799 12.09836  -23.08294      16.58588  
1 1 1 17 12 22 o 61.55842 8.308722  42.85643       7.047437  50.36607       14.09487  35.34678       14.09487  68.15603 10.34015  54.96081 13.00848  13.19522       16.61744  
1 1 1 17 12 23 o 47.23841 14.93580  28.45659       15.77216  28.45659       15.77216  ?              ?         47.23841 14.93580  ?        ?         ?              ?         
1 1 1 17 13 0  o 82.57784 2.207753  68.33965       3.640462  68.33965       3.640462  68.33965       3.640462  82.57784 2.207753  82.57784 2.207753  0.000000       0.000000  
1 1 1 17 13 1  o 634.7142 3.348402  4030.730       30.04810  3924.227       60.09620  4137.232       60.09620  626.3245 4.797530  643.1041 4.672355  -16.77960      6.696805  
1 1 1 17 13 2  o 248.9825 1.475317  621.1799       5.179556  566.3014       10.35911  676.0585       10.35911  237.9619 2.176632  260.0031 1.992114  -22.04111      2.950635  
1 1 1 17 13 3  o 577.8048 3.117665  3340.638       25.46417  3224.820       50.92834  3456.456       50.92834  567.7826 4.484846  587.8271 4.331915  -20.04449      6.235330  
1 1 1 17 13 4  o 302.4355 1.856665  914.9901       7.938493  887.8533       15.87699  942.1266       15.87699  297.9492 2.664378  306.9219 2.586486  -8.972687      3.713330  
1 1 1 17 13 5  o 599.7830 3.204942  3602.051       27.15098  3394.187       54.30196  3809.915       54.30196  582.4548 4.661475  617.1112 4.399690  -34.65643      6.409884  
1 1 1 17 13 6  o 183.2697 1.272294  335.9184       3.297381  331.8443       6.594762  339.9924       6.594762  182.1582 1.810175  184.3811 1.788351  -2.222992      2.544589  
1 1 1 17 13 7  o 237.0632 1.430271  562.1844       4.793592  545.9167       9.587184  578.4521       9.587184  233.6321 2.051769  240.4943 1.993225  -6.862183      2.860543  
1 1 1 17 13 8  o 178.5177 1.254966  319.3409       3.159196  291.4084       6.318392  347.2733       6.318392  170.6943 1.850792  186.3412 1.695383  -15.64688      2.509931  
1 1 1 17 13 9  o 68.62505 1.640155  47.11158       1.591511  46.11569       3.183021  48.10746       3.183021  67.89944 2.343923  69.35065 2.294875  -1.451202      3.280309  
1 1 1 17 13 10 o 288.1058 1.727809  830.8591       7.033143  872.6625       14.06629  789.0557       14.06629  295.3606 2.381206  280.8509 2.504226  14.50970       3.455617  
1 1 1 17 13 11 o 225.5592 1.552608  509.0690       4.950837  524.9412       9.901674  493.1968       9.901674  229.0776 2.161206  222.0408 2.229697  7.036819       3.105215  
1 1 1 17 13 12 o 344.7758 1.994627  1189.473       9.725369  1197.416       19.45074  1181.530       19.45074  345.9277 2.811388  343.6238 2.830237  2.303894       3.989254  
1 1 1 17 13 13 o 281.1673 1.773752  791.0237       7.052203  804.5991       14.10441  777.4481       14.10441  283.5815 2.486835  278.7532 2.529910  4.828278       3.547505  
1 1 1 17 13 14 o 191.4720 1.593186  366.8860       4.312327  378.9034       8.624654  354.8687       8.624654  194.6102 2.215879  188.3339 2.289725  6.276291       3.186371  
1 1 1 17 13 15 o 129.9340 1.779480  170.9778       3.211612  207.9066       6.423223  134.0490       6.423223  144.1446 2.228049  115.7234 2.775248  28.42117       3.558960  
1 1 1 17 13 16 o 115.3051 2.015679  133.8775       3.259262  153.8143       6.518523  113.9407       6.518523  123.9503 2.629490  106.6599 3.055753  17.29045       4.031358  
1 1 1 17 13 17 o 121.0898 2.305409  147.0337       3.945422  153.0805       7.890843  140.9869       7.890843  123.5866 3.192435  118.5930 3.326860  4.993645       4.610818  
1 1 1 17 13 18 o 47.69439 6.029106  24.04420       3.907302  17.82111       7.814603  30.26729       7.814603  40.81578 9.702482  54.57300 7.159771  -13.75722      12.05821  
1 1 1 17 13 19 f 45.93393 7.017538  22.72429       4.436216  25.87396       8.872433  19.57463       8.872433  49.31950 9.334334  42.54836 10.48111  6.771137       14.03508  
1 1 1 17 13 20 o 38.07861 7.854636  14.70003       5.050902  4.136022       10.10180  25.26404       10.10180  28.09926 11.42937  48.05796 10.77732  -19.95870      15.70927  
1 1 1 17 13 21 o 25.56470 7.954403  -3.797706      5.860952  4.345681       11.72190  -11.94110      11.72190  29.52920 12.20708  21.60021 10.20183  7.928995       15.90881  
1 1 1 17 13 22 o 56.27039 9.300632  37.41479       7.390518  27.28440       14.78104  47.54519       14.78104  47.78336 14.33492  64.75742 11.85399  -16.97407      18.60126  
1 1 1 17 13 23 o 60.07360 8.836345  42.97556       7.266628  39.80683       14.53326  46.14428       14.53326  57.43228 12.95980  62.71492 12.01531  -5.282639      17.67269  
1 1 1 17 14 0  o 66.84731 2.315615  44.84820       3.087722  44.84820       3.087722  44.84820       3.087722  66.84731 2.315615  66.84731 2.315615  0.000000       0.000000  
1 1 1 17 14 1  o 557.8231 2.989861  3115.044       23.55817  3291.025       47.11634  2939.063       47.11634  573.5970 4.107094  542.0492 4.346131  31.54785       5.979722  
1 1 1 17 14 2  o 200.0182 1.309206  401.5372       3.683347  353.4964       7.366693  449.5779       7.366693  188.0091 1.959132  212.0273 1.737204  -24.01819      2.618411  
1 1 1 17 14 3  o 684.9169 3.650876  4694.389       35.35155  4832.684       70.70310  4556.095       70.70310  695.0127 5.086462  674.8212 5.238655  20.19153       7.301753  
1 1 1 17 14 4  o 366.0095 2.044885  1341.210       10.56877  1256.474       21.13755  1425.946       21.13755  354.4339 2.981875  377.5852 2.799043  -23.15134      4.089770  
1 1 1 17 14 5  o 105.7743 1.344332  113.8597       1.958416  84.17852       3.916832  143.5409       3.916832  91.74385 2.134656  119.8047 1.634673  -28.06087      2.688664  
1 1 1 17 14 6  o 418.0980 2.298925  1750.128       13.57549  1647.414       27.15098  1852.842       27.15098  405.8145 3.345245  430.3816 3.154292  -24.56708      4.597850  
1 1 1 17 14 7  o 190.9062 1.355900  370.3217       3.573751  278.1808       7.147503  462.4625       7.147503  166.7737 2.142875  215.0387 1.661911  -48.26500      2.711801  
1 1 1 17 14 8  o 151.2132 1.418017  229.0298       3.025776  246.4840       6.051552  211.5756       6.051552  156.9845 1.927436  145.4418 2.080404  11.54277       2.836034  
1 1 1 17 14 9  o 86.88852 1.425828  75.60629       1.748756  80.94786       3.497512  70.26472       3.497512  89.96233 1.943876  83.81471 2.086454  6.147621       2.851656  
1 1 1 17 14 10 o 218.7375 1.577435  478.6207       4.879362  484.7722       9.758724  472.4690       9.758724  220.1437 2.216444  217.3314 2.245125  2.812332       3.154871  
1 1 1 17 14 11 o 131.0467 1.356497  171.9070       2.511156  162.5247       5.022312  181.2893       5.022312  127.4670 1.970045  134.6265 1.865277  -7.159508      2.712994  
1 1 1 17 14 12 f 158.0553 1.360511  249.9434       3.040071  242.5576       6.080142  257.3292       6.080142  155.7189 1.952282  160.3917 1.895404  -4.672882      2.721022  
1 1 1 17 14 13 o 104.5442 1.730777  109.3568       2.558806  110.5195       5.117612  108.1941       5.117612  105.1002 2.434635  103.9881 2.460672  1.112122       3.461554  
1 1 1 17 14 14 o 464.3644 2.616163  2159.394       17.17783  2114.555       34.35566  2204.233       34.35566  459.5365 3.738078  469.1924 3.661149  -9.655945      5.232327  
1 1 1 17 14 15 o 132.5487 1.794289  176.1431       3.354562  161.4001       6.709123  190.8860       6.709123  126.9874 2.641649  138.1100 2.428905  -11.12263      3.588577  
1 1 1 17 14 16 o 103.4784 2.237480  107.2888       3.273556  109.9953       6.547113  104.5823       6.547113  104.7862 3.124035  102.1706 3.204010  2.615540       4.474961  
1 1 1 17 14 17 o 85.83694 3.113389  76.09231       3.621402  100.8941       7.242803  51.29048       7.242803  100.2840 3.611146  71.38988 5.072709  28.89412       6.226777  
1 1 1 17 14 18 o 44.85271 6.317928  21.29003       3.916832  26.32187       7.833663  16.25819       7.833663  50.78556 7.712491  38.91988 10.00911  11.86568       12.63586  
1 1 1 17 14 19 o 87.51904 3.757365  77.74577       4.622052  87.54261       9.244103  67.94892       9.244103  93.11603 4.963756  81.92207 5.642011  11.19396       7.514729  
1 1 1 17 14 20 o 97.35565 3.745642  96.11009       5.155732  93.62276       10.31146  98.59742       10.31146  96.07821 5.366182  98.63309 5.227182  -2.554886      7.491285  
1 1 1 17 14 21 o 39.95726 8.671097  15.61015       6.304098  30.45790       12.60820  0.7624003      12.60820  51.74368 12.33936  28.17083 12.18572  23.57285       17.34219  
1 1 1 17 14 22 o 68.69600 7.015841  51.14277       6.799657  54.91188       13.59931  47.37365       13.59931  71.43933 9.518087  65.95267 10.30991  5.486656       14.03168  
1 1 1 17 14 23 o 65.97320 8.490541  51.09035       7.681183  42.90408       15.36237  59.27663       15.36237  59.23394 13.29525  72.71246 10.56378  -13.47853      16.98108  
1 1 1 17 15 0  o 168.0051 2.252870  282.4217       7.566823  282.4217       7.566823  282.4217       7.566823  168.0051 2.252870  168.0051 2.252870  0.000000       0.000000  
1 1 1 17 15 1  f 124.5756 1.280391  155.5059       2.249081  141.7207       4.498162  169.2910       4.498162  119.0428 1.889305  130.1085 1.728620  -11.06568      2.560781  
1 1 1 17 15 2  o 815.8747 4.293943  6661.825       49.53696  6795.264       99.07392  6528.386       99.07392  824.0523 6.011385  807.6971 6.133111  16.35522       8.587887  
1 1 1 17 15 3  o 316.3258 1.901956  1001.751       8.495998  1064.263       16.99200  939.2390       16.99200  326.2068 2.604482  306.4449 2.772440  19.76193       3.803912  
1 1 1 17 15 4  o 444.6086 2.596327  1980.473       16.28678  2136.675       32.57355  1824.271       32.57355  462.1748 3.523943  427.0424 3.813855  35.13239       5.192655  
1 1 1 17 15 5  o 319.5089 1.831298  1021.664       8.267279  1071.897       16.53456  971.4314       16.53456  327.3698 2.525364  311.6479 2.652762  15.72183       3.662596  
1 1 1 17 15 6  o 79.65068 1.268155  63.56036       1.424736  68.87334       2.849471  58.24739       2.849471  82.98585 1.716842  76.31551 1.866902  6.670341       2.536310  
1 1 1 17 15 7  f 273.0215 1.669534  747.7242       6.418458  667.7293       12.83692  827.7190       12.83692  258.3716 2.484196  287.6714 2.231177  -29.29987      3.339069  
1 1 1 17 15 8  o 416.1656 2.317769  1733.141       13.63744  1686.411       27.27487  1779.871       27.27487  410.5513 3.321738  421.7801 3.233305  -11.22879      4.635537  
1 1 1 17 15 9  o 306.7141 1.891930  941.1879       8.205333  923.4859       16.41067  958.8899       16.41067  303.8284 2.700648  309.5999 2.650303  -5.771484      3.783861  
1 1 1 17 15 10 o 442.0793 2.480381  1956.019       15.50532  1920.829       31.01063  1991.208       31.01063  438.0992 3.539225  446.0593 3.476067  -7.960022      4.960761  
1 1 1 17 15 11 o 193.8398 1.446318  376.1779       3.959717  354.1921       7.919433  398.1635       7.919433  188.1687 2.104344  199.5109 1.984712  -11.34222      2.892637  
1 1 1 17 15 12 o 98.70442 1.709987  97.59200       2.382501  90.71611       4.765002  104.4679       4.765002  95.22135 2.502066  102.1875 2.331499  -6.966148      3.419974  
1 1 1 17 15 13 o 264.4793 1.682993  700.2599       6.289802  667.7482       12.57960  732.7715       12.57960  258.3329 2.434766  270.6256 2.324171  -12.29269      3.365985  
1 1 1 17 15 14 o 54.18406 3.433618  29.58113       2.611221  33.75528       5.222442  25.40699       5.222442  58.03588 4.499322  50.33224 5.187969  7.703640       6.867235  
1 1 1 17 15 15 o 197.3769 1.691883  390.1774       4.717352  411.4008       9.434704  368.9541       9.434704  202.7533 2.326647  192.0006 2.456947  10.75269       3.383766  
1 1 1 17 15 16 o 268.8413 1.938891  723.8514       7.371458  729.8173       14.74292  717.8856       14.74292  269.9509 2.730667  267.7318 2.753300  2.219116       3.877783  
1 1 1 17 15 17 o 115.0787 2.476099  133.0675       4.021661  142.7594       8.043323  123.3754       8.043323  119.2898 3.371339  110.8677 3.627443  8.422073       4.952198  
1 1 1 17 15 18 o 168.5384 2.040236  285.3521       4.850772  308.5148       9.701544  262.1895       9.701544  175.4100 2.765391  161.6667 3.000476  13.74326       4.080471  
1 1 1 17 15 19 o 137.8646 2.601841  191.8294       5.046137  214.3584       10.09227  169.3005       10.09227  146.0353 3.455424  129.6939 3.890805  16.34134       5.203683  
1 1 1 17 15 20 o 26.04985 7.422980  -2.382501      5.036607  11.27399       10.07321  -16.03900      10.07321  33.87760 11.93066  18.22210 8.835258  15.65550       14.84596  
1 1 1 17 15 21 f 116.8856 3.767581  139.1809       6.227858  139.2429       12.45572  139.1190       12.45572  116.9121 5.326956  116.8591 5.329371  0.5299377E-01  7.535162  
1 1 1 17 15 22 o 88.50964 5.823100  83.21123       7.271393  89.47721       14.54279  76.94526       14.54279  92.04935 7.899450  84.96992 8.557609  7.079430       11.64620  
1 1 1 17 15 23 o 32.19530 13.62300  7.433403       15.15271  7.433403       15.15271  ?              ?         32.19530 13.62300  ?        ?         ?              ?         
1 1 1 17 16 0  o 160.6849 3.502916  258.5966       11.24540  258.5966       11.24540  258.5966       11.24540  160.6849 3.502916  160.6849 3.502916  0.000000       0.000000  
1 1 1 17 16 1  o 341.4141 1.895176  1166.363       9.144039  1115.678       18.28808  1217.048       18.28808  333.9912 2.737808  348.8369 2.621293  -14.84570      3.790352  
1 1 1 17 16 2  o 501.5051 2.719004  2520.472       19.23155  2735.063       38.46309  2305.880       38.46309  522.8999 3.677865  480.1104 4.005652  42.78955       5.438008  
1 1 1 17 16 3  o 267.6716 1.590294  717.0851       6.013433  678.4982       12.02687  755.6721       12.02687  260.4637 2.308741  274.8795 2.187661  -14.41580      3.180589  
1 1 1 17 16 4  f 400.0600 2.361293  1601.202       13.35630  1560.795       26.71260  1641.610       26.71260  395.0099 3.381258  405.1101 3.296955  -10.10025      4.722586  
1 1 1 17 16 5  o 385.8429 2.133355  1489.187       11.64090  1494.409       23.28180  1483.964       23.28180  386.5197 3.011723  385.1661 3.022306  1.353516       4.266709  
1 1 1 17 16 6  o 299.4230 1.790339  897.1308       7.576353  860.2734       15.15271  933.9880       15.15271  293.2682 2.583421  305.5777 2.479354  -12.30945      3.580679  
1 1 1 17 16 7  o 199.3476 1.299743  398.4876       3.649991  357.9946       7.299983  438.9805       7.299983  189.1912 1.929261  209.5040 1.742206  -20.31276      2.599487  
1 1 1 17 16 8  o 402.1240 2.277131  1618.542       12.94175  1684.400       25.88349  1552.685       25.88349  410.3127 3.154118  393.9354 3.285246  16.37732       4.554262  
1 1 1 17 16 9  o 190.5351 1.317661  363.1503       3.549927  370.9077       7.099854  355.3929       7.099854  192.5708 1.843439  188.4994 1.883256  4.071396       2.635322  
1 1 1 17 16 10 o 299.9012 1.940271  899.8897       8.229158  898.6793       16.45832  901.1000       16.45832  299.6995 2.745804  300.1030 2.742111  -0.4035645     3.880543  
1 1 1 17 16 11 o 186.9025 1.395400  349.4462       3.688112  345.1482       7.376224  353.7442       7.376224  185.7527 1.985496  188.0523 1.961216  -2.299622      2.790799  
1 1 1 17 16 12 o 349.5406 2.017142  1222.819       9.968384  1189.078       19.93677  1256.560       19.93677  344.7141 2.891783  354.3670 2.813011  -9.652954      4.034283  
1 1 1 17 16 13 f 296.4832 1.856862  880.3102       7.776483  929.5660       15.55297  831.0545       15.55297  304.7899 2.551424  288.1766 2.698514  16.61334       3.713723  
1 1 1 17 16 14 o 42.07920 4.543369  18.46438       2.549276  23.78689       5.098552  13.14188       5.098552  48.68974 5.235757  35.46867 7.426685  13.22107       9.086738  
1 1 1 17 16 15 o 282.5765 1.914296  799.5529       7.647829  821.4101       15.29566  777.6960       15.29566  286.4440 2.669921  278.7090 2.744019  7.734924       3.828592  
1 1 1 17 16 16 o 134.9396 2.066393  182.7902       3.931127  199.3677       7.862253  166.2128       7.862253  141.0822 2.786409  128.7971 3.052186  12.28510       4.132785  
1 1 1 17 16 17 o 54.43879 5.293389  31.18694       3.826297  22.05243       7.652593  40.32145       7.652593  45.72955 8.681322  63.14803 6.059249  -17.41849      10.58678  
1 1 1 17 16 18 o 89.50160 3.206414  80.80490       4.050251  86.70397       8.100503  74.90582       8.100503  92.79712 4.364631  86.20609 4.698336  6.591026       6.412827  
1 1 1 17 16 19 o 87.68579 3.967737  78.08408       4.917482  81.06221       9.834964  75.10596       9.834964  89.38397 5.501525  85.98760 5.718827  3.396370       7.935475  
1 1 1 17 16 20 o 55.36398 7.242763  33.02623       5.513107  38.32014       11.02621  27.73231       11.02621  60.60170 9.097281  50.12626 11.27253  10.47544       14.48553  
1 1 1 17 16 21 o 42.77525 9.576999  20.75635       6.513757  18.79317       13.02751  22.71953       13.02751  41.06165 13.60731  44.48884 13.48024  -3.427185      19.15400  
1 1 1 17 16 22 o 72.55898 7.816535  61.03491       7.314278  36.80487       14.62856  85.26494       14.62856  55.43231 13.33722  89.68564 8.155461  -34.25333      15.63307  
1 1 1 17 16 23 o 53.81965 14.75119  40.29285       16.34396  40.29285       16.34396  ?              ?         53.81965 14.75119  ?        ?         ?              ?         
1 1 1 17 17 0  o 725.6016 10.64296  5271.817       154.3765  5271.817       154.3765  5271.817       154.3765  725.6016 10.64296  725.6016 10.64296  -0.000000      0.000000  
1 1 1 17 17 1  o 154.4590 2.685731  238.8124       8.291104  238.8124       8.291104  238.8124       8.291104  154.4590 2.685731  154.4590 2.685731  0.000000       0.000000  
1 1 1 17 17 2  o 120.6538 2.102463  145.7138       5.069962  145.7138       5.069962  145.7138       5.069962  120.6538 2.102463  120.6538 2.102463  0.000000       0.000000  
1 1 1 17 17 3  o 95.22559 2.812604  90.92577       5.346332  90.92577       5.346332  90.92577       5.346332  95.22559 2.812604  95.22559 2.812604  0.000000       0.000000  
1 1 1 17 17 4  o 77.29683 2.806785  59.99138       4.326622  59.99138       4.326622  59.99138       4.326622  77.29683 2.806785  77.29683 2.806785  0.000000       0.000000  
1 1 1 17 17 5  o 88.21142 3.070963  78.10790       5.403512  78.10790       5.403512  78.10790       5.403512  88.21142 3.070963  88.21142 3.070963  0.000000       0.000000  
1 1 1 17 17 6  o 131.6618 2.724177  173.5985       7.166563  173.5985       7.166563  173.5985       7.166563  131.6618 2.724177  131.6618 2.724177  0.000000       0.000000  
1 1 1 17 17 7  f 74.69591 3.551233  56.18890       5.279623  56.18890       5.279623  56.18890       5.279623  74.69591 3.551233  74.69591 3.551233  0.000000       0.000000  
1 1 1 17 17 8  o 607.7797 6.573226  3699.538       79.88049  3699.538       79.88049  3699.538       79.88049  607.7797 6.573226  607.7797 6.573226  0.000000       0.000000  
1 1 1 17 17 9  o 22.48244 9.706886  7.233273       4.460042  7.233273       4.460042  7.233273       4.460042  22.48244 9.706886  22.48244 9.706886  0.000000       0.000000  
1 1 1 17 17 10 o 405.1778 5.149336  1644.088       41.71283  1644.088       41.71283  1644.088       41.71283  405.1778 5.149336  405.1778 5.149336  0.000000       0.000000  
1 1 1 17 17 11 o 122.3313 3.046312  149.9832       7.442933  149.9832       7.442933  149.9832       7.442933  122.3313 3.046312  122.3313 3.046312  0.000000       0.000000  
1 1 1 17 17 12 o 53.39745 6.068825  29.64784       6.337452  29.64784       6.337452  29.64784       6.337452  53.39745 6.068825  53.39745 6.068825  0.000000       0.000000  
1 1 1 17 17 13 o 130.0969 3.297425  169.6627       8.567473  169.6627       8.567473  169.6627       8.567473  130.0969 3.297425  130.0969 3.297425  0.000000       0.000000  
1 1 1 17 17 14 o 229.1828 3.382310  525.9704       15.49579  525.9704       15.49579  525.9704       15.49579  229.1828 3.382310  229.1828 3.382310  0.000000       0.000000  
1 1 1 17 17 15 o 28.98939 12.88268  12.25558       7.843193  12.25558       7.843193  12.25558       7.843193  28.98939 12.88268  28.98939 12.88268  0.000000       0.000000  
1 1 1 17 17 16 o 171.9388 3.725800  296.4784       12.79880  296.4784       12.79880  296.4784       12.79880  171.9388 3.725800  171.9388 3.725800  0.000000       0.000000  
1 1 1 17 17 17 o 102.7607 5.424755  106.9362       11.08340  106.9362       11.08340  106.9362       11.08340  102.7607 5.424755  102.7607 5.424755  -0.000000      0.000000  
1 1 1 17 17 18 o 73.17175 8.159640  56.16031       11.68378  56.16031       11.68378  56.16031       11.68378  73.17175 8.159640  73.17175 8.159640  0.000000       0.000000  
1 1 1 17 17 19 o 46.90284 16.66024  30.24823       14.19971  30.24823       14.19971  30.24823       14.19971  46.90284 16.66024  46.90284 16.66024  0.000000       0.000000  
1 1 1 17 17 20 o 33.13204 17.71309  17.55427       15.83887  17.55427       15.83887  17.55427       15.83887  33.13204 17.71309  33.13204 17.71309  -0.000000      0.000000  
1 1 1 17 17 21 o 19.95545 13.97508  -13.89474      19.72711  -13.89474      19.72711  -13.89474      19.72711  19.95545 13.97508  19.95545 13.97508  0.000000       0.000000  
1 1 1 18 0  0  o 1901.492 39.08920  36361.73       1485.156  36361.73       1485.156  36361.73       1485.156  1901.492 39.08920  1901.492 39.08920  0.000000       0.000000  
1 1 1 18 0  1  o 92.16412 1.567562  85.01717       2.887591  85.01717       2.887591  85.01717       2.887591  92.16412 1.567562  92.16412 1.567562  0.000000       0.000000  
1 1 1 18 0  2  o 185.8228 2.981400  345.5865       11.07386  345.5865       11.07386  345.5865       11.07386  185.8228 2.981400  185.8228 2.981400  0.000000       0.000000  
1 1 1 18 0  3  o 643.3361 7.339968  4141.873       94.41375  4141.873       94.41375  4141.873       94.41375  643.3361 7.339968  643.3361 7.339968  0.000000       0.000000  
1 1 1 18 0  4  o 976.1628 11.70439  9541.249       228.4342  9541.249       228.4342  9541.249       228.4342  976.1628 11.70439  976.1628 11.70439  -0.000000      0.000000  
1 1 1 18 0  5  o 686.8661 8.318486  4722.146       114.2362  4722.146       114.2362  4722.146       114.2362  686.8661 8.318486  686.8661 8.318486  0.000000       0.000000  
1 1 1 18 0  6  o 719.3960 8.047964  5179.910       115.7609  5179.910       115.7609  5179.910       115.7609  719.3960 8.047964  719.3960 8.047964  -0.000000      0.000000  
1 1 1 18 0  7  o 382.2849 4.154282  1462.179       31.75397  1462.179       31.75397  1462.179       31.75397  382.2849 4.154282  382.2849 4.154282  0.000000       0.000000  
1 1 1 18 0  8  o 33.51727 3.538931  11.60754       2.325321  11.60754       2.325321  11.60754       2.325321  33.51727 3.538931  33.51727 3.538931  0.000000       0.000000  
1 1 1 18 0  9  o 414.2040 4.525735  1716.859       37.48151  1716.859       37.48151  1716.859       37.48151  414.2040 4.525735  414.2040 4.525735  0.000000       0.000000  
1 1 1 18 0  10 o 249.6019 3.124289  623.4434       15.59109  623.4434       15.59109  623.4434       15.59109  249.6019 3.124289  249.6019 3.124289  -0.000000      0.000000  
1 1 1 18 0  11 o 825.2982 8.715233  6827.028       143.8173  6827.028       143.8173  6827.028       143.8173  825.2982 8.715233  825.2982 8.715233  0.000000       0.000000  
1 1 1 18 0  12 o 299.5790 3.532158  898.2029       21.15661  898.2029       21.15661  898.2029       21.15661  299.5790 3.532158  299.5790 3.532158  0.000000       0.000000  
1 1 1 18 0  13 o 117.9551 2.669224  139.3858       6.289802  139.3858       6.289802  139.3858       6.289802  117.9551 2.669224  117.9551 2.669224  0.000000       0.000000  
1 1 1 18 0  14 o 246.2117 3.403763  606.8325       16.75375  606.8325       16.75375  606.8325       16.75375  246.2117 3.403763  246.2117 3.403763  -0.000000      0.000000  
1 1 1 18 0  15 o 87.71439 4.016315  77.47894       7.014082  77.47894       7.014082  77.47894       7.014082  87.71439 4.016315  87.71439 4.016315  0.000000       0.000000  
1 1 1 18 0  16 o 182.5531 3.288626  333.8075       11.99827  333.8075       11.99827  333.8075       11.99827  182.5531 3.288626  182.5531 3.288626  -0.000000      0.000000  
1 1 1 18 0  17 o 111.6766 4.633923  125.5864       10.31146  125.5864       10.31146  125.5864       10.31146  111.6766 4.633923  111.6766 4.633923  0.000000       0.000000  
1 1 1 18 0  18 o 32.83203 14.50964  15.81981       9.949325  15.81981       9.949325  15.81981       9.949325  32.83203 14.50964  32.83203 14.50964  -0.000000      0.000000  
1 1 1 18 0  19 o 109.9187 5.442845  122.3176       11.90297  122.3176       11.90297  122.3176       11.90297  109.9187 5.442845  109.9187 5.442845  0.000000       0.000000  
1 1 1 18 0  20 o 134.9817 5.966259  184.5485       16.03900  184.5485       16.03900  184.5485       16.03900  134.9817 5.966259  134.9817 5.966259  -0.000000      0.000000  
1 1 1 18 0  21 o 37.61705 18.45980  22.59564       16.36302  22.59564       16.36302  22.59564       16.36302  37.61705 18.45980  37.61705 18.45980  0.000000       0.000000  
1 1 1 18 0  22 o 23.09470 15.10902  1.191251       16.63939  1.191251       16.63939  1.191251       16.63939  23.09470 15.10902  23.09470 15.10902  -0.000000      0.000000  
1 1 1 18 0  23 o 41.71667 17.72121  27.20816       14.91446  27.20816       14.91446  27.20816       14.91446  41.71667 17.72121  41.71667 17.72121  0.000000       0.000000  
1 1 1 18 1  0  o 342.2436 3.765758  1171.828       25.76913  1171.828       25.76913  1171.828       25.76913  342.2436 3.765758  342.2436 3.765758  0.000000       0.000000  
1 1 1 18 1  1  o 433.7125 2.347233  1883.138       14.37601  1765.729       28.75202  2000.548       28.75202  420.1770 3.421418  447.2479 3.214328  -27.07083      4.694465  
1 1 1 18 1  2  o 896.9953 4.629617  8050.218       58.72865  8058.972       117.4573  8041.465       117.4573  897.4832 6.543705  896.5074 6.550828  0.9758301      9.259234  
1 1 1 18 1  3  o 803.2174 4.530475  6455.067       51.46202  6490.962       102.9240  6419.173       102.9240  805.4518 6.389212  800.9830 6.424858  4.468750       9.060950  
1 1 1 18 1  4  o 444.9711 2.899239  1986.915       18.15466  2213.963       36.30931  1759.868       36.30931  470.4837 3.858722  419.4584 4.328118  51.02527       5.798478  
1 1 1 18 1  5  o 127.7392 1.295128  163.1823       2.339616  164.2782       4.679232  162.0863       4.679232  128.1682 1.825427  127.3102 1.837729  0.8579636      2.590257  
1 1 1 18 1  6  o 454.6607 2.528460  2069.560       16.23436  2197.428       32.46873  1941.691       32.46873  468.7227 3.463532  440.5987 3.684614  28.12402       5.056920  
1 1 1 18 1  7  f 356.3803 1.953691  1270.435       9.844495  1300.474       19.68899  1240.397       19.68899  360.5947 2.730072  352.1659 2.795414  8.428802       3.907382  
1 1 1 18 1  8  o 200.0379 1.284043  401.3514       3.616637  358.1185       7.233273  444.5842       7.233273  189.2317 1.911221  210.8440 1.715314  -21.61234      2.568087  
1 1 1 18 1  9  o 226.3401 1.406851  514.2008       4.479102  575.5074       8.958203  452.8944       8.958203  239.8831 1.867201  212.7971 2.104869  27.08601       2.813702  
1 1 1 18 1  10 o 458.9034 2.495438  2107.856       16.18671  2186.021       32.37342  2029.691       32.37342  467.4199 3.462991  450.3868 3.593958  17.03305       4.990876  
1 1 1 18 1  11 o 319.6580 1.880011  1022.422       8.495998  991.7875       16.99200  1053.056       16.99200  314.8662 2.698288  324.4497 2.618587  -9.583435      3.760021  
1 1 1 18 1  12 o 194.6114 1.320810  379.1131       3.630931  400.2125       7.261863  358.0136       7.261863  200.0323 1.815173  189.1904 1.919194  10.84181       2.641620  
1 1 1 18 1  13 o 234.4295 1.520736  549.7954       5.041372  542.0475       10.08274  557.5433       10.08274  232.7770 2.165752  236.0820 2.135433  -3.304977      3.041473  
1 1 1 18 1  14 o 131.5584 1.541315  173.2984       2.863766  162.9059       5.727532  183.6908       5.727532  127.6086 2.244179  135.5081 2.113354  -7.899521      3.082629  
1 1 1 18 1  15 o 46.24606 3.379510  22.40027       2.063246  31.52525       4.126492  13.27530       4.126492  56.11174 3.677030  36.38038 5.671315  19.73137       6.759021  
1 1 1 18 1  16 o 246.0501 1.722872  605.9033       5.994372  616.2672       11.98874  595.5395       11.98874  248.1561 2.415565  243.9440 2.457274  4.212097       3.445744  
1 1 1 18 1  17 o 104.1981 2.253977  108.7659       3.321206  110.2050       6.642413  107.3269       6.642413  104.8887 3.166411  103.5076 3.208659  1.381058       4.507955  
1 1 1 18 1  18 o 121.0574 2.566396  147.0146       4.393332  149.1922       8.786663  144.8370       8.786663  121.9568 3.602368  120.1580 3.656297  1.798813       5.132793  
1 1 1 18 1  19 o 125.1077 2.751699  157.6120       4.855536  144.3891       9.711073  170.8348       9.711073  119.8231 4.052255  130.3923 3.723792  -10.56920      5.503398  
1 1 1 18 1  20 o 74.75546 4.375521  56.84171       4.612522  61.73536       9.225043  51.94805       9.225043  78.02858 5.911324  71.48235 6.452672  6.546227       8.751042  
1 1 1 18 1  21 o 97.94297 4.226941  97.98273       5.822832  109.5760       11.64566  86.38948       11.64566  103.8613 5.606352  92.02460 6.327474  11.83675       8.453881  
1 1 1 18 1  22 o 73.29500 5.648929  56.03167       5.846657  59.41957       11.69331  52.64375       11.69331  75.60615 7.733045  70.98385 8.236602  4.622299       11.29786  
1 1 1 18 1  23 o 103.4911 5.115857  112.9877       7.385753  92.54587       14.77151  133.4296       14.77151  93.61499 7.889498  113.3673 6.514890  -19.75229      10.23171  
1 1 1 18 2  0  o 493.9333 5.209745  2440.901       51.45249  2440.901       51.45249  2440.901       51.45249  493.9333 5.209745  493.9333 5.209745  0.000000       0.000000  
1 1 1 18 2  1  o 1063.113 5.563181  11311.69       83.62579  11065.10       167.2516  11558.27       167.2516  1051.516 7.952879  1074.711 7.781236  -23.19507      11.12636  
1 1 1 18 2  2  o 268.0522 1.590718  720.2729       6.008667  650.2036       12.01733  790.3423       12.01733  254.9821 2.356505  281.1223 2.137385  -26.14020      3.181435  
1 1 1 18 2  3  o 1000.322 5.572760  10016.46       78.81313  10295.55       157.6263  9737.376       157.6263  1014.272 7.770412  986.3726 7.990199  27.89960       11.14552  
1 1 1 18 2  4  o 336.6095 2.025217  1135.138       9.615773  1040.829       19.23155  1229.447       19.23155  322.6009 2.980703  350.6182 2.742520  -28.01730      4.050433  
1 1 1 18 2  5  o 55.15582 1.289660  30.43407       1.005415  29.27617       2.010831  31.59196       2.010831  54.10616 1.858227  56.20548 1.788821  -2.099323      2.579319  
1 1 1 18 2  6  o 572.9567 3.139426  3284.873       25.42605  3167.487       50.85210  3402.259       50.85210  562.7128 4.518477  583.2006 4.359744  -20.48773      6.278853  
1 1 1 18 2  7  o 155.2494 1.143956  241.3712       2.506391  259.3400       5.012782  223.4023       5.012782  161.0365 1.556412  149.4623 1.676938  11.57417       2.287911  
1 1 1 18 2  8  o 76.20667 1.090462  59.29092       1.138835  76.07802       2.277671  42.50382       2.277671  87.22086 1.305691  65.19247 1.746882  22.02839       2.180923  
1 1 1 18 2  9  f 416.0350 2.274635  1732.130       13.37536  1664.177       26.75072  1800.084       26.75072  407.8682 3.279334  424.2019 3.153065  -16.33371      4.549269  
1 1 1 18 2  10 o 367.3584 2.035400  1350.111       10.57354  1369.709       21.14708  1330.512       21.14708  370.0258 2.857514  364.6909 2.899315  5.334961       4.070800  
1 1 1 18 2  11 o 411.7586 2.280874  1696.946       13.27530  1758.524       26.55059  1635.368       26.55059  419.2361 3.166544  404.2812 3.283679  14.95493       4.561749  
1 1 1 18 2  12 o 164.8196 1.269854  271.7624       2.959066  264.2956       5.918132  279.2291       5.918132  162.5545 1.820354  167.0847 1.770998  -4.530258      2.539709  
1 1 1 18 2  13 o 203.3338 1.403533  413.5735       4.035956  412.6492       8.071913  414.4980       8.071913  203.1065 1.987113  203.5612 1.982675  -0.4546204     2.807066  
1 1 1 18 2  14 o 38.32644 4.445013  16.76328       2.187136  28.40894       4.374272  5.117612       4.374272  53.26358 4.106250  23.38930 7.884875  29.87428       8.890025  
1 1 1 18 2  15 o 124.2685 1.607016  154.7958       2.816116  141.2918       5.632232  168.2999       5.632232  118.8351 2.369768  129.7019 2.171222  -10.86681      3.214033  
1 1 1 18 2  16 o 64.20534 2.902754  41.31733       2.635046  42.37993       5.270092  40.25474       5.270092  65.03284 4.051870  63.37785 4.157677  1.654991       5.805509  
1 1 1 18 2  17 o 263.0472 1.962363  692.8647       7.299983  697.1769       14.59997  688.5523       14.59997  263.8669 2.766540  262.2275 2.783835  1.639374       3.924727  
1 1 1 18 2  18 o 83.84486 3.485004  70.72216       4.131257  72.57098       8.262513  68.87334       8.262513  84.94739 4.863312  82.74235 4.992917  2.205040       6.970008  
1 1 1 18 2  19 o 74.38152 4.228640  56.14601       4.431452  50.60432       8.862904  61.68771       8.862904  70.65633 6.271840  78.10670 5.673588  -7.450371      8.457279  
1 1 1 18 2  20 o 93.01936 3.671113  88.21448       4.765002  71.86575       9.530005  104.5632       9.530005  84.23157 5.657027  101.8072 4.680419  -17.57560      7.342226  
1 1 1 18 2  21 o 150.9971 2.644413  229.6207       5.646527  226.4424       11.29305  232.7989       11.29305  149.9447 3.765739  152.0496 3.713610  -2.104843      5.288827  
1 1 1 18 2  22 o 116.4179 4.192739  138.7140       6.899723  133.9537       13.79945  143.4742       13.79945  114.3734 6.032628  118.4623 5.824402  -4.088921      8.385479  
1 1 1 18 2  23 o 27.16365 8.873792  -8.019498      8.057619  -4.612522      16.11524  -11.42647      16.11524  28.36774 12.90828  25.95956 12.18002  2.408180       17.74758  
1 1 1 18 3  0  o 382.2541 4.144637  1461.845       31.67773  1461.845       31.67773  1461.845       31.67773  382.2541 4.144637  382.2541 4.144637  0.000000       0.000000  
1 1 1 18 3  1  o 445.0854 2.419934  1982.808       15.21465  2092.551       30.42930  1873.065       30.42930  457.4137 3.326234  432.7571 3.515748  24.65659       4.839868  
1 1 1 18 3  2  o 534.6760 2.946127  2859.463       22.27638  2834.509       44.55276  2884.417       44.55276  532.3425 4.184597  537.0096 4.148228  -4.667175      5.892253  
1 1 1 18 3  3  o 793.3538 4.182457  6297.402       46.92098  6403.543       93.84196  6191.262       93.84196  800.0431 5.864806  786.6644 5.964548  13.37866       8.364914  
1 1 1 18 3  4  o 468.3231 2.662031  2193.683       17.63051  2177.492       35.26101  2209.875       35.26101  466.5944 3.778551  470.0517 3.750759  -3.457275      5.324062  
1 1 1 18 3  5  o 578.2007 3.281126  3344.417       26.82696  3399.953       53.65392  3288.881       53.65392  583.0032 4.601512  573.3982 4.678592  9.604980       6.562251  
1 1 1 18 3  6  o 369.7338 2.078701  1367.236       10.86897  1376.695       21.73794  1357.778       21.73794  371.0129 2.929539  368.4547 2.949879  2.558197       4.157402  
1 1 1 18 3  7  o 489.8994 2.592884  2400.675       17.96406  2404.963       35.92811  2396.386       35.92811  490.3370 3.663615  489.4616 3.670166  0.8753967      5.185768  
1 1 1 18 3  8  o 155.9590 1.133094  243.3963       2.496861  231.3885       4.993722  255.4041       4.993722  152.1094 1.641491  159.8087 1.562406  -7.699326      2.266187  
1 1 1 18 3  9  o 100.6373 1.031610  101.3135       1.467621  104.6394       2.935241  97.98750       2.935241  102.2898 1.434768  98.98487 1.482672  3.304909       2.063219  
1 1 1 18 3  10 o 219.7444 1.367570  484.0098       4.236087  529.0486       8.472174  438.9710       8.472174  229.9924 1.841838  209.4964 2.022033  20.49602       2.735139  
1 1 1 18 3  11 o 82.55074 1.503170  69.95023       1.686811  47.86921       3.373621  92.03124       3.373621  69.17654 2.438415  95.92495 1.758469  -26.74841      3.006340  
1 1 1 18 3  12 o 86.51070 1.441513  74.87724       1.763051  77.05961       3.526102  72.69487       3.526102  87.77203 2.008670  85.24937 2.068110  2.522659       2.883025  
1 1 1 18 3  13 o 220.2900 1.500099  485.7014       4.669702  463.5108       9.339403  507.8920       9.339403  215.2533 2.169398  225.3267 2.072414  -10.07335      3.000198  
1 1 1 18 3  14 o 237.3674 1.592806  563.7045       5.346332  572.8771       10.69266  554.5319       10.69266  239.2996 2.234158  235.4353 2.270829  3.864319       3.185612  
1 1 1 18 3  15 o 193.5119 1.547658  374.8770       4.231322  355.8217       8.462644  393.9322       8.462644  188.5884 2.243681  198.4355 2.132341  -9.847061      3.095316  
1 1 1 18 3  16 o 231.4243 1.742756  535.9817       5.703707  538.4071       11.40741  533.5563       11.40741  231.9483 2.459043  230.9002 2.470204  1.048035       3.485513  
1 1 1 18 3  17 o 118.2144 2.190956  140.1864       3.654756  129.4556       7.309513  150.9171       7.309513  113.6757 3.215073  122.7531 2.977324  -9.077393      4.381912  
1 1 1 18 3  18 o 60.43832 4.094284  36.84299       3.497512  38.26297       6.995024  35.42302       6.995024  61.61305 5.676576  59.26359 5.901619  2.349461       8.188567  
1 1 1 18 3  19 o 149.1609 2.230159  223.6025       4.693527  241.0900       9.387053  206.1149       9.387053  155.0228 3.027636  143.2989 3.275341  11.72395       4.460318  
1 1 1 18 3  20 o 83.59784 4.173272  71.42262       4.874598  83.95933       9.749194  58.88589       9.749194  91.09607 5.351051  76.09961 6.405549  14.99646       8.346544  
1 1 1 18 3  21 o 88.71485 4.655909  80.59047       5.822832  87.83805       11.64566  73.34290       11.64566  92.79961 6.274631  84.63010 6.880332  8.169510       9.311818  
1 1 1 18 3  22 o 24.99935 8.049066  -6.794893      6.389868  -12.60820      12.77974  -0.9815904     12.77974  22.56970 10.65720  27.42901 12.06540  -4.859306      16.09813  
1 1 1 18 3  23 o 38.37327 14.79639  15.25754       16.10571  15.25754       16.10571  ?              ?         38.37327 14.79639  ?        ?         ?              ?         
1 1 1 18 3  24 f 38.87067 14.40376  19.47933       14.86681  19.47933       14.86681  ?              ?         38.87067 14.40376  ?        ?         ?              ?         
1 1 1 18 4  0  o 832.9813 8.655948  6943.970       144.1699  6943.970       144.1699  6943.970       144.1699  832.9813 8.655948  832.9813 8.655948  0.000000       0.000000  
1 1 1 18 4  1  o 953.0950 5.010781  9090.385       67.52960  9268.252       135.0592  8912.518       135.0592  962.4261 7.016601  943.7639 7.155350  18.66223       10.02156  
1 1 1 18 4  2  o 281.8592 1.654570  796.0746       6.575703  866.7729       13.15141  725.3763       13.15141  294.4007 2.233590  269.3178 2.441615  25.08289       3.309140  
1 1 1 18 4  3  o 411.7589 2.237245  1695.697       13.02751  1708.901       26.05503  1682.494       26.05503  413.3622 3.151598  410.1555 3.176238  3.206726       4.474490  
1 1 1 18 4  4  o 560.5635 3.177277  3143.134       25.18780  3160.063       50.37560  3126.203       50.37560  562.0736 4.481228  559.0535 4.505437  3.020142       6.354555  
1 1 1 18 4  5  o 389.5894 2.535002  1519.173       13.95192  1437.954       27.90385  1600.393       27.90385  379.1657 3.679638  400.0131 3.487867  -20.84741      5.070005  
1 1 1 18 4  6  o 336.4918 1.947735  1133.246       9.258399  1071.554       18.51680  1194.939       18.51680  327.3248 2.828505  345.6588 2.678479  -18.33405      3.895470  
1 1 1 18 4  7  o 154.8596 1.186694  241.1282       2.577866  205.8290       5.155732  276.4273       5.155732  143.4625 1.796891  166.2568 1.550533  -22.79427      2.373388  
1 1 1 18 4  8  f 320.6618 1.784995  1028.726       8.090974  992.8453       16.18195  1064.606       16.18195  315.0670 2.568017  326.2565 2.479942  -11.18951      3.569989  
1 1 1 18 4  9  o 509.5803 2.744461  2602.144       19.73187  2397.034       39.46375  2807.253       39.46375  489.4549 4.031397  529.7056 3.725064  -40.25070      5.488922  
1 1 1 18 4  10 o 293.7414 1.728231  866.0153       7.142738  765.3641       14.28548  966.6664       14.28548  276.6088 2.582253  310.8741 2.297631  -34.26526      3.456463  
1 1 1 18 4  11 o 158.3907 1.238241  251.2299       2.768466  233.5327       5.536932  268.9272       5.536932  152.8041 1.811775  163.9772 1.688323  -11.17314      2.476482  
1 1 1 18 4  12 o 173.6402 1.387115  303.8022       3.368856  355.5072       6.737713  252.0972       6.737713  188.5288 1.786919  158.7516 2.122092  29.77711       2.774230  
1 1 1 18 4  13 o 289.2823 1.776287  837.2823       7.266628  828.7101       14.53326  845.8546       14.53326  287.8006 2.524883  290.7639 2.499151  -2.963287      3.552575  
1 1 1 18 4  14 o 163.8874 1.467674  268.9081       3.397446  253.4790       6.794893  284.3372       6.794893  159.1801 2.134341  168.5946 2.015158  -9.414429      2.935349  
1 1 1 18 4  15 o 132.6017 1.536191  176.0192       2.878061  184.8344       5.756122  167.2039       5.756122  135.9257 2.117378  129.2778 2.226261  6.647903       3.072382  
1 1 1 18 4  16 o 105.2653 2.008213  111.3200       2.973361  124.6620       5.946723  97.97797       5.946723  111.6027 2.664239  98.92802 3.005581  12.67465       4.016427  
1 1 1 18 4  17 o 275.1204 2.011023  758.0309       7.824133  749.9351       15.64827  766.1266       15.64827  273.6491 2.859185  276.5917 2.828766  -2.942627      4.022046  
1 1 1 18 4  18 o 62.81493 3.975505  39.84971       3.521337  36.37603       7.042673  43.32340       7.042673  60.04992 5.864015  65.57995 5.369532  -5.530025      7.951009  
1 1 1 18 4  19 o 155.7446 2.503472  243.6584       5.513107  248.8379       11.02621  238.4788       11.02621  157.4074 3.502444  154.0817 3.578041  3.325684       5.006944  
1 1 1 18 4  20 o 32.68251 8.229668  9.777784       4.879362  13.15141       9.758724  6.404162       9.758724  35.73707 11.77710  29.62794 11.49825  6.109131       16.45934  
1 1 1 18 4  21 o 82.07157 5.621438  69.84064       6.475638  60.29633       12.95128  79.38493       12.95128  76.25695 8.491865  87.88619 7.368208  -11.62924      11.24288  
1 1 1 18 4  22 o 114.9153 4.137924  135.0497       6.723418  132.0287       13.44684  138.0707       13.44684  113.6008 5.918458  116.2297 5.784594  -2.628899      8.275848  
1 1 1 18 4  23 o 80.13252 7.938178  71.81335       8.896259  60.75378       17.79252  82.87290       17.79252  73.23173 12.14809  87.03333 10.22167  -13.80160      15.87636  
1 1 1 18 4  24 o 47.23055 15.49246  32.15423       16.88717  32.15423       16.88717  ?              ?         47.23055 15.49246  ?        ?         ?              ?         
1 1 1 18 5  0  o 558.2601 6.353075  3118.542       70.91276  3118.542       70.91276  3118.542       70.91276  558.2601 6.353075  558.2601 6.353075  0.000000       0.000000  
1 1 1 18 5  1  o 823.5862 4.367903  6787.764       50.85687  6991.859       101.7137  6583.670       101.7137  835.9769 6.083526  811.1956 6.269372  24.78125       8.735806  
1 1 1 18 5  2  o 610.0834 3.234248  3723.106       27.90385  3689.332       55.80770  3756.880       55.80770  607.3154 4.594623  612.8514 4.553118  -5.536011      6.468496  
1 1 1 18 5  3  o 573.0927 3.012607  3285.159       24.41587  3259.214       48.83174  3311.105       48.83174  570.8291 4.277265  575.3563 4.243608  -4.527222      6.025214  
1 1 1 18 5  4  o 869.7461 4.578806  7569.262       56.31279  7705.304       112.6256  7433.223       112.6256  877.5668 6.416924  861.9254 6.533373  15.64148       9.157612  
1 1 1 18 5  5  o 714.0001 3.849181  5110.179       38.75376  4660.468       77.50751  5559.890       77.50751  682.5078 5.678142  745.4925 5.198411  -62.98474      7.698361  
1 1 1 18 5  6  o 877.4500 4.650180  7711.011       57.63270  7268.448       115.2654  8153.576       115.2654  852.2312 6.762567  902.6687 6.384701  -50.43750      9.300361  
1 1 1 18 5  7  o 215.7324 1.463439  465.4502       4.464807  463.6823       8.929614  467.2180       8.929614  215.3226 2.073543  216.1421 2.065681  -0.8194580     2.926878  
1 1 1 18 5  8  o 337.3710 1.891885  1139.750       9.010619  1217.639       18.02124  1061.862       18.02124  348.9145 2.582472  325.8275 2.765457  23.08691       3.783770  
1 1 1 18 5  9  o 221.1027 1.453038  490.8238       4.517222  430.0986       9.034444  551.5490       9.034444  207.3703 2.178336  234.8350 1.923573  -27.46469      2.906076  
1 1 1 18 5  10 o 616.6873 3.282362  3807.175       28.62337  3870.830       57.24674  3743.519       57.24674  621.8483 4.602950  611.5261 4.680645  10.32220       6.564723  
1 1 1 18 5  11 o 297.4646 1.756501  885.4326       7.385753  916.7388       14.77151  854.1266       14.77151  302.7268 2.439742  292.2025 2.527615  10.52429       3.513001  
1 1 1 18 5  12 o 298.8466 1.778025  893.4950       7.514408  887.8438       15.02882  899.1463       15.02882  297.9011 2.522451  299.7921 2.506539  -1.891052      3.556051  
1 1 1 18 5  13 o 152.9823 1.387730  234.1284       3.001951  229.7303       6.003902  238.5265       6.003902  151.5448 1.980900  154.4197 1.944021  -2.874893      2.775461  
1 1 1 18 5  14 o 146.9498 1.425001  216.1310       2.959066  226.0612       5.918132  206.2007       5.918132  150.3286 1.968398  143.5710 2.061047  6.757584       2.850001  
1 1 1 18 5  15 o 247.5026 1.667891  613.6178       5.827598  655.8168       11.65520  571.4190       11.65520  256.0276 2.276160  238.9777 2.438553  17.04987       3.335783  
1 1 1 18 5  16 o 141.9736 1.939130  201.7692       3.893007  198.4433       7.786013  205.0952       7.786013  140.8022 2.764875  143.1449 2.719626  -2.342682      3.878260  
1 1 1 18 5  17 o 73.95833 3.271233  54.91665       3.421271  55.60757       6.842543  54.22572       6.842543  74.42543 4.596912  73.49123 4.655347  0.9342041      6.542466  
1 1 1 18 5  18 o 33.03809 7.140337  11.05957       3.759587  7.299983       7.519173  14.81916       7.519173  28.73243 10.28861  37.34375 9.903642  -8.611320      14.28067  
1 1 1 18 5  19 o 61.46207 5.005532  38.44404       4.350447  37.86271       8.700893  39.02536       8.700893  60.98915 7.133149  61.93499 7.024215  -0.9458389     10.01106  
1 1 1 18 5  20 o 75.00339 4.484484  57.71370       4.693527  68.33013       9.387053  47.09728       9.387053  82.08068 5.718187  67.92609 6.909756  14.15459       8.968967  
1 1 1 18 5  21 o 30.86267 8.517460  -2.025125      6.671002  18.15466       13.34200  -22.20491      13.34200  41.14831 13.77057  20.57703 10.02795  20.57129       17.03492  
1 1 1 18 5  22 o 58.20419 8.943769  38.50122       7.342868  48.56490       14.68574  28.43753       14.68574  67.08537 10.94556  49.32299 14.14775  17.76238       17.88754  
1 1 1 18 5  23 o 107.1377 5.108669  120.2448       7.733598  125.8151       15.46720  114.6745       15.46720  109.7373 7.047373  104.5381 7.397872  5.199173       10.21734  
1 1 1 18 5  24 o 29.14758 13.13995  2.182371       16.18195  2.182371       16.18195  ?              ?         29.14758 13.13995  ?        ?         ?              ?         
1 1 1 18 6  0  o 147.7886 2.086990  218.5516       6.165912  218.5516       6.165912  218.5516       6.165912  147.7886 2.086990  147.7886 2.086990  0.000000       0.000000  
1 1 1 18 6  1  o 358.8543 1.971761  1287.904       10.00650  1280.785       20.01301  1295.023       20.01301  357.8624 2.796188  359.8462 2.780772  -1.983795      3.943521  
1 1 1 18 6  2  o 641.2657 3.395669  4113.745       30.79144  4184.653       61.58288  4042.837       61.58288  646.7946 4.760622  635.7370 4.843425  11.05756       6.791339  
1 1 1 18 6  3  o 281.6667 1.598887  793.6540       6.366043  821.3719       12.73209  765.9360       12.73209  286.5870 2.221330  276.7463 2.300317  9.840698       3.197775  
1 1 1 18 6  4  o 348.4432 2.017119  1215.814       9.920734  1128.905       19.84147  1302.723       19.84147  335.9722 2.952844  360.9142 2.748779  -24.94208      4.034237  
1 1 1 18 6  5  o 378.5910 2.163863  1437.210       11.54083  1291.763       23.08167  1582.657       23.08167  359.3820 3.211300  397.8000 2.901165  -38.41797      4.327725  
1 1 1 18 6  6  o 319.3251 1.816387  1019.977       8.200569  993.1789       16.40114  1046.776       16.40114  315.1290 2.602289  323.5212 2.534786  -8.392212      3.632774  
1 1 1 18 6  7  o 220.5573 1.603762  488.6223       4.969897  424.5331       9.939795  552.7117       9.939795  206.0284 2.412239  235.0863 2.114074  -29.05786      3.207523  
1 1 1 18 6  8  o 241.2426 1.468137  582.1165       5.008017  570.0657       10.01603  594.1672       10.01603  238.7449 2.097643  243.7402 2.054654  -4.995255      2.936275  
1 1 1 18 6  9  o 295.0587 1.688978  871.1995       7.042673  909.1718       14.08535  833.2274       14.08535  301.4934 2.335930  288.6240 2.440086  12.86938       3.377956  
1 1 1 18 6  10 o 289.0474 1.689067  837.2489       6.885427  765.5452       13.77085  908.9527       13.77085  276.6440 2.488913  301.4509 2.284096  -24.80688      3.378133  
1 1 1 18 6  11 o 191.4399 1.338763  368.7111       3.592812  312.6318       7.185624  424.7904       7.185624  176.7932 2.032211  206.0867 1.743350  -29.29341      2.677527  
1 1 1 18 6  12 o 301.7106 1.796589  911.0016       7.662123  943.3083       15.32425  878.6949       15.32425  307.0645 2.495281  296.3567 2.585440  10.70786       3.593178  
1 1 1 18 6  13 o 70.81831 1.902193  50.33271       1.896471  44.81960       3.792941  55.84582       3.792941  66.92587 2.833688  74.71074 2.538418  -7.784866      3.804386  
1 1 1 18 6  14 o 65.21995 2.385612  43.49494       2.129956  30.99157       4.259912  55.99829       4.259912  55.63441 3.828487  74.80548 2.847326  -19.17107      4.771224  
1 1 1 18 6  15 o 232.7492 1.649803  542.2096       5.427337  563.3661       10.85467  521.0529       10.85467  237.2942 2.287177  228.2043 2.378280  9.089890       3.299605  
1 1 1 18 6  16 o 138.1900 1.931416  191.1719       3.773881  186.9596       7.547763  195.3841       7.547763  136.6660 2.761391  139.7141 2.701145  -3.048157      3.862831  
1 1 1 18 6  17 o 43.47374 5.251505  19.41262       3.154431  20.75635       6.308862  18.06889       6.308862  45.34933 6.955850  41.59814 7.869523  3.751183       10.50301  
1 1 1 18 6  18 o 66.32259 4.138310  44.42888       3.878712  46.35394       7.757423  42.50382       7.757423  67.77387 5.723019  64.87130 5.979087  2.902573       8.276620  
1 1 1 18 6  19 o 34.11142 7.052751  11.52177       4.007367  3.678581       8.014733  19.36497       8.014733  25.71207 10.29185  42.51078 9.645879  -16.79870      14.10550  
1 1 1 18 6  20 o 23.18943 7.333121  -6.518523      5.241503  2.430151       10.48301  -15.46720      10.48301  27.38577 11.44590  18.99308 9.170057  8.392698       14.66624  
1 1 1 18 6  21 o 83.83307 4.574378  72.36132       5.355862  59.53394       10.71172  85.18871       10.71172  76.18251 7.030304  91.48362 5.854450  -15.30111      9.148757  
1 1 1 18 6  22 o 78.03357 6.582196  64.54195       7.238038  58.60952       14.47608  70.47438       14.47608  74.23237 9.750515  81.83477 8.844698  -7.602402      13.16439  
1 1 1 18 6  23 o 54.16557 9.078727  34.94652       7.400048  19.51745       14.80010  50.37560       14.80010  40.96385 14.45791  67.36729 10.98463  -26.40344      18.15745  
1 1 1 18 7  0  o 257.3423 3.202563  662.6021       16.47738  662.6021       16.47738  662.6021       16.47738  257.3423 3.202563  257.3423 3.202563  0.000000       0.000000  
1 1 1 18 7  1  o 610.7853 3.248123  3732.474       28.04680  3846.700       56.09360  3618.247       56.09360  620.1360 4.522685  601.4344 4.663318  18.70160       6.496246  
1 1 1 18 7  2  o 398.7996 2.248270  1590.639       12.67967  1578.092       25.35934  1603.185       25.35934  397.2266 3.192050  400.3726 3.166968  -3.145996      4.496540  
1 1 1 18 7  3  o 868.4564 4.530756  7546.094       55.64570  7519.040       111.2914  7573.150       111.2914  866.8987 6.418939  870.0140 6.395954  -3.115295      9.061512  
1 1 1 18 7  4  o 224.2326 1.637177  503.3177       5.184323  534.2711       10.36865  472.3642       10.36865  231.1347 2.242988  217.3305 2.385455  13.80417       3.274353  
1 1 1 18 7  5  f 546.0653 2.934854  2983.296       22.65759  3068.347       45.31517  2898.246       45.31517  553.8529 4.090903  538.2778 4.209273  15.57513       5.869708  
1 1 1 18 7  6  o 692.2795 3.772487  4795.474       36.92877  4703.848       73.85754  4887.100       73.85754  685.6619 5.385857  698.8973 5.283862  -13.23541      7.544975  
1 1 1 18 7  7  o 85.76558 1.208426  74.13866       1.448561  61.11591       2.897121  87.16142       2.897121  78.17352 1.853006  93.35764 1.551625  -15.18412      2.416852  
1 1 1 18 7  8  o 212.1326 1.384170  451.2505       4.136022  404.8918       8.272044  497.6092       8.272044  201.2058 2.055618  223.0594 1.854224  -21.85367      2.768341  
1 1 1 18 7  9  o 606.8444 3.227015  3685.748       27.69419  3705.228       55.38838  3666.269       55.38838  608.4493 4.551602  605.2393 4.575742  3.210022       6.454030  
1 1 1 18 7  10 o 86.00423 1.342471  74.51034       1.615336  61.98315       3.230671  87.03752       3.230671  78.72134 2.051967  93.28712 1.731574  -14.56578      2.684942  
1 1 1 18 7  11 o 111.6502 1.213225  124.8907       1.910766  135.1736       3.821531  114.6078       3.821531  116.2551 1.643597  107.0452 1.785008  9.209900       2.426451  
1 1 1 18 7  12 o 158.0583 1.317545  249.9053       2.944771  254.1080       5.889543  245.7026       5.889543  159.3877 1.847552  156.7288 1.878896  2.658981       2.635090  
1 1 1 18 7  13 o 58.46915 2.483246  34.37473       2.039421  38.97771       4.078841  29.77173       4.078841  62.40541 3.268019  54.53290 3.739799  7.872513       4.966492  
1 1 1 18 7  14 o 230.8625 1.594568  534.0566       5.193852  491.8435       10.38770  576.2698       10.38770  221.7200 2.342528  240.0050 2.164060  -18.28496      3.189137  
1 1 1 18 7  15 o 143.8352 1.630164  207.9685       3.292616  179.5739       6.585233  236.3631       6.585233  133.9646 2.457825  153.7057 2.142156  -19.74110      3.260327  
1 1 1 18 7  16 o 170.0168 1.768966  289.6501       4.245616  269.5752       8.491233  309.7251       8.491233  164.1130 2.587008  175.9207 2.413370  -11.80763      3.537932  
1 1 1 18 7  17 o 29.68192 6.147544  7.967083       3.197316  0.3430801      6.394632  15.59109       6.394632  20.90169 8.847334  38.46215 8.537791  -17.56046      12.29509  
1 1 1 18 7  18 o 70.31485 3.568281  50.01347       3.526102  56.40810       7.052203  43.61883       7.052203  74.86199 4.710136  65.76770 5.361449  9.094292       7.136561  
1 1 1 18 7  19 o 22.21985 6.904140  -2.077541      4.226557  0.4097902      8.453114  -4.564872      8.453114  23.74560 10.11623  20.69409 9.398427  3.051506       13.80828  
1 1 1 18 7  20 f 84.99426 3.859333  73.29050       4.636347  70.51250       9.272694  76.06850       9.272694  83.36004 5.561834  86.62849 5.351989  -3.268448      7.718665  
1 1 1 18 7  21 f 55.18550 6.815603  35.04659       4.960367  13.88521       9.920734  56.20796       9.920734  36.26715 11.87446  74.10384 6.693805  -37.83669      13.63121  
1 1 1 18 7  22 o 33.06937 9.118337  5.603642       6.847308  18.01171       13.69462  -6.804423      13.69462  40.46135 13.94320  25.67738 11.75430  14.78397       18.23667  
1 1 1 18 7  23 o 44.02959 8.737865  20.83259       6.966432  41.26492       13.93286  0.4002601      13.93286  59.49624 12.12940  28.56294 12.58089  30.93330       17.47573  
1 1 1 18 8  0  o 879.7070 9.129684  7745.425       160.5901  7745.425       160.5901  7745.425       160.5901  879.7070 9.129684  879.7070 9.129684  0.000000       0.000000  
1 1 1 18 8  1  o 367.6476 2.026769  1351.993       10.53542  1385.348       21.07084  1318.638       21.07084  372.1839 2.830703  363.1113 2.901430  9.072540       4.053538  
1 1 1 18 8  2  o 311.0143 1.751013  967.8909       7.695479  1012.668       15.39096  923.1143       15.39096  318.2128 2.418344  303.8158 2.532942  14.39697       3.502025  
1 1 1 18 8  3  o 506.3601 2.851885  2564.924       20.41803  2503.808       40.83606  2626.040       40.83606  500.3253 4.080952  512.3950 3.984823  -12.06967      5.703769  
1 1 1 18 8  4  o 830.8092 4.500647  6907.375       52.87246  6773.079       105.7449  7041.672       105.7449  822.7269 6.426490  838.8915 6.302658  -16.16467      9.001293  
1 1 1 18 8  5  o 337.9778 1.877703  1143.434       8.962970  1211.492       17.92594  1075.375       17.92594  348.0463 2.575223  327.9094 2.733368  20.13696       3.755406  
1 1 1 18 8  6  o 666.7886 3.516974  4448.305       33.16442  4448.644       66.32883  4447.967       66.32883  666.8140 4.973563  666.7632 4.973941  0.5072021E-01  7.033948  
1 1 1 18 8  7  o 274.9401 1.677513  758.5502       6.489933  671.1410       12.97987  845.9594       12.97987  259.0440 2.505340  290.8361 2.231474  -31.79211      3.355027  
1 1 1 18 8  8  o 336.6168 1.988132  1133.499       9.463295  1112.952       18.92659  1154.045       18.92659  333.5648 2.837018  339.6687 2.786036  -6.103851      3.976263  
1 1 1 18 8  9  o 269.9140 1.604434  728.8071       6.123027  746.5137       12.24605  711.1003       12.24605  273.1941 2.241274  266.6340 2.296417  6.560120       3.208869  
1 1 1 18 8  10 o 263.9653 1.579247  697.0340       5.894307  681.6716       11.78861  712.3964       11.78861  261.0554 2.257876  266.8752 2.208638  -5.819855      3.158494  
1 1 1 18 8  11 o 391.3275 2.192813  1532.549       12.13170  1488.368       24.26339  1576.730       24.26339  385.6825 3.145513  396.9726 3.056054  -11.29004      4.385627  
1 1 1 18 8  12 o 66.27554 1.815587  44.03815       1.696341  40.00695       3.392681  48.06934       3.392681  63.23430 2.682627  69.31677 2.447230  -6.082470      3.631174  
1 1 1 18 8  13 o 65.21621 2.317965  42.79925       2.120426  49.07952       4.240851  36.51897       4.240851  70.03117 3.027832  60.40125 3.510566  9.629917       4.635929  
1 1 1 18 8  14 o 293.1425 1.829197  860.0352       7.581119  836.6105       15.16224  883.4599       15.16224  289.1470 2.621891  297.1379 2.551380  -7.990906      3.658395  
1 1 1 18 8  15 o 190.5189 1.652100  364.5274       4.426687  408.6751       8.853374  320.3797       8.853374  202.1051 2.190289  178.9328 2.473939  23.17236       3.304201  
1 1 1 18 8  16 o 122.4334 2.053673  150.6503       3.535631  132.1621       7.071262  169.1385       7.071262  114.8831 3.077591  129.9837 2.720058  -15.10062      4.107345  
1 1 1 18 8  17 o 128.8974 2.091913  166.6226       3.807237  177.4582       7.614474  155.7870       7.614474  133.1006 2.860420  124.6942 3.053258  8.406387       4.183825  
1 1 1 18 8  18 o 77.75330 3.542064  61.03015       3.883476  55.69334       7.766953  66.36695       7.766953  74.32142 5.225246  81.18518 4.783480  -6.863762      7.084128  
1 1 1 18 8  19 o 174.1568 2.342551  305.1412       5.751357  332.9974       11.50271  277.2850       11.50271  182.1543 3.157411  166.1593 3.461351  15.99490       4.685103  
1 1 1 18 8  20 f 47.57639 6.553919  24.33963       4.288502  30.59131       8.577003  18.08795       8.577003  54.47856 7.871907  40.67421 10.48086  13.80435       13.10784  
1 1 1 18 8  21 o 101.6056 4.163620  105.1684       5.980077  101.5803       11.96015  108.7564       11.96015  99.83990 5.989667  103.3712 5.785049  -3.531342      8.327239  
1 1 1 18 8  22 o 71.03242 7.638414  58.02343       6.904487  31.87786       13.80897  84.16899       13.80897  52.25069 13.20164  89.81415 7.687528  -37.56346      15.27683  
1 1 1 18 8  23 o 65.74092 7.637105  49.80380       6.651943  66.12870       13.30389  33.47890       13.30389  78.58904 8.464211  52.89280 12.71450  25.69624       15.27421  
1 1 1 18 9  0  o 627.4146 6.610524  3938.874       82.93009  3938.874       82.93009  3938.874       82.93009  627.4146 6.610524  627.4146 6.610524  0.000000       0.000000  
1 1 1 18 9  1  o 239.7816 1.399870  575.4502       4.741177  608.3192       9.482354  542.5812       9.482354  246.6355 1.922341  232.9277 2.035472  13.70787       2.799740  
1 1 1 18 9  2  o 307.9714 1.746187  948.5689       7.604944  937.9811       15.20989  959.1568       15.20989  306.2525 2.483227  309.6904 2.455660  -3.437897      3.492375  
1 1 1 18 9  3  o 120.8135 0.9916396 147.4959       1.667751  117.5812       3.335501  177.4106       3.335501  108.4330 1.538047  133.1940 1.252121  -24.76105      1.983279  
1 1 1 18 9  4  o 542.4480 2.995480  2945.996       22.94825  3123.087       45.89650  2768.905       45.89650  558.7714 4.106913  526.1247 4.361751  32.64667       5.990960  
1 1 1 18 9  5  o 203.6057 1.378581  414.5981       3.969247  420.1398       7.938493  409.0563       7.938493  204.9666 1.936534  202.2448 1.962595  2.721786       2.757162  
1 1 1 18 9  6  o 301.5863 1.697677  910.2821       7.233273  957.9274       14.46655  862.6368       14.46655  309.4854 2.337193  293.6872 2.462918  15.79825       3.395355  
1 1 1 18 9  7  o 236.6021 1.484737  560.0879       4.965132  582.1212       9.930264  538.0545       9.930264  241.2583 2.058014  231.9459 2.140642  9.312408       2.969473  
1 1 1 18 9  8  o 344.3364 2.065829  1186.099       10.05892  1204.907       20.11784  1167.292       20.11784  347.0674 2.898261  341.6054 2.944602  5.461945       4.131658  
1 1 1 18 9  9  o 300.3913 1.727708  902.7200       7.338103  881.6301       14.67621  923.8100       14.67621  296.8809 2.471733  303.9017 2.414630  -7.020813      3.455416  
1 1 1 18 9  10 o 139.2442 1.185845  193.9356       2.334851  197.6809       4.669702  190.1903       4.669702  140.5891 1.660763  137.8993 1.693156  2.689728       2.371689  
1 1 1 18 9  11 o 404.4228 2.305044  1636.902       13.18000  1680.292       26.35999  1593.512       26.35999  409.7872 3.216302  399.0583 3.302774  10.72888       4.610088  
1 1 1 18 9  12 o 299.4869 1.835164  900.3757       7.733598  796.4891       15.46720  1004.262       15.46720  282.1429 2.741022  316.8310 2.440922  -34.68817      3.670327  
1 1 1 18 9  13 o 408.5638 2.317804  1674.040       13.35154  1523.771       26.70307  1824.310       26.70307  390.1739 3.421946  426.9537 3.127163  -36.77982      4.635608  
1 1 1 18 9  14 o 124.7610 1.563691  155.7298       2.758936  156.4064       5.517872  155.0532       5.517872  125.0322 2.206581  124.4899 2.216194  0.5423279      3.127381  
1 1 1 18 9  15 o 107.9717 1.844597  116.9474       2.806586  128.3120       5.613173  105.5829       5.613173  113.2345 2.478562  102.7090 2.732561  10.52546       3.689195  
1 1 1 18 9  16 o 163.6584 1.736745  268.4221       4.012132  249.4860       8.024263  287.3582       8.024263  157.8732 2.541364  169.4437 2.367826  -11.57053      3.473490  
1 1 1 18 9  17 o 144.8708 1.831650  210.4463       3.745291  225.6324       7.490582  195.2602       7.490582  150.1121 2.494997  139.6296 2.682305  10.48250       3.663300  
1 1 1 18 9  18 o 116.8052 2.487601  136.9843       4.107431  132.3527       8.214863  141.6159       8.214863  114.8226 3.577197  118.7878 3.457788  -3.965210      4.975202  
1 1 1 18 9  19 f 130.5129 2.409889  171.2494       4.440981  160.1898       8.881963  182.3090       8.881963  126.2760 3.516886  134.7499 3.295722  -8.473915      4.819779  
1 1 1 18 9  20 o 69.88959 5.416994  50.35654       5.341567  46.49689       10.68313  54.21619       10.68313  67.12833 7.957247  72.65083 7.352382  -5.522499      10.83399  
1 1 1 18 9  21 o 28.95615 8.248139  0.8767605      5.856187  12.63678       11.71237  -10.88326      11.71237  35.85343 12.84063  22.05886 10.35594  13.79457       16.49628  
1 1 1 18 9  22 o 24.52712 7.558333  -13.27053      6.018198  -36.23308      12.03640  9.692014       12.03640  16.00414 8.071463  33.05010 12.78144  -17.04596      15.11667  
1 1 1 18 9  23 o 37.84273 14.07744  16.04853       14.22830  16.04853       14.22830  ?              ?         37.84273 14.07744  ?        ?         ?              ?         
1 1 1 18 10 0  o 170.6013 2.554142  291.2560       8.710423  291.2560       8.710423  291.2560       8.710423  170.6013 2.554142  170.6013 2.554142  0.000000       0.000000  
1 1 1 18 10 1  o 373.9131 2.052253  1398.461       10.84991  1365.535       21.69982  1431.388       21.69982  369.5102 2.936296  378.3160 2.867949  -8.805847      4.104505  
1 1 1 18 10 2  o 395.7922 2.245658  1571.469       12.51289  1399.310       25.02579  1743.628       25.02579  374.0435 3.345305  417.5410 2.996807  -43.49747      4.491315  
1 1 1 18 10 3  o 369.3019 2.260680  1364.730       11.79815  1304.086       23.59629  1425.374       23.59629  361.0913 3.267358  377.5126 3.125232  -16.42133      4.521361  
1 1 1 18 10 4  o 453.6034 2.548533  2059.982       16.32490  1931.913       32.64980  2188.051       32.64980  439.4866 3.714538  467.7202 3.490312  -28.23367      5.097065  
1 1 1 18 10 5  o 314.3292 1.784788  988.5568       7.928963  948.3401       15.85793  1028.773       15.85793  307.9320 2.574907  320.7264 2.472189  -12.79440      3.569575  
1 1 1 18 10 6  f 465.8751 2.538825  2172.436       16.71086  2062.445       33.42172  2282.427       33.42172  454.0703 3.680236  477.6798 3.498340  -23.60950      5.077649  
1 1 1 18 10 7  o 320.1541 1.814364  1026.372       8.200569  956.6124       16.40114  1096.132       16.40114  309.2594 2.651680  331.0488 2.477148  -21.78940      3.628729  
1 1 1 18 10 8  o 180.6973 1.281367  326.9315       3.268791  304.7314       6.537583  349.1317       6.537583  174.5544 1.872649  186.8402 1.749512  -12.28581      2.562734  
1 1 1 18 10 9  o 314.4987 1.811009  989.9482       8.048088  943.3369       16.09618  1036.559       16.09618  307.0883 2.620774  321.9091 2.500112  -14.82083      3.622018  
1 1 1 18 10 10 o 165.2762 1.254627  273.3348       2.930476  285.0901       5.860952  261.5796       5.860952  168.8324 1.735731  161.7199 1.812069  7.112503       2.509254  
1 1 1 18 10 11 o 201.8837 1.385266  407.6745       3.954952  410.5907       7.909904  404.7583       7.909904  202.6059 1.952041  201.1615 1.966058  1.444473       2.770533  
1 1 1 18 10 12 o 316.5294 1.866200  1002.885       8.348284  1045.165       16.69657  960.6053       16.69657  323.2081 2.582944  309.8508 2.694292  13.35733       3.732400  
1 1 1 18 10 13 o 256.7563 1.659288  659.6765       6.022963  679.5274       12.04593  639.8254       12.04593  260.6221 2.310995  252.8906 2.381647  7.731461       3.318575  
1 1 1 18 10 14 o 249.7252 1.722095  624.1104       6.080142  607.1375       12.16028  641.0834       12.16028  246.3268 2.468323  253.1235 2.402046  -6.796646      3.444190  
1 1 1 18 10 15 o 104.1402 1.994493  109.1995       2.911416  92.50774       5.822832  125.8914       5.822832  96.12612 3.028746  112.1543 2.595902  -16.02821      3.988986  
1 1 1 18 10 16 o 296.7202 1.919584  881.6159       8.052853  905.4551       16.10571  857.7766       16.10571  300.7373 2.677704  292.7030 2.751203  8.034271       3.839168  
1 1 1 18 10 17 o 142.9651 2.013339  205.7385       4.040722  177.0865       8.081444  234.3905       8.081444  132.9445 3.039405  152.9857 2.641241  -20.04121      4.026678  
1 1 1 18 10 18 o 106.1626 2.649599  113.6977       3.950187  98.28294       7.900373  129.1125       7.900373  98.90258 3.994018  113.4226 3.482717  -14.51997      5.299198  
1 1 1 18 10 19 o 118.0010 2.961373  140.7057       4.912717  123.2134       9.825435  158.1981       9.825435  110.5890 4.442319  125.4129 3.917234  -14.82388      5.922746  
1 1 1 18 10 20 o 68.25451 5.316031  49.04617       4.927012  33.74574       9.854024  64.34658       9.854024  57.04615 8.636889  79.46287 6.200395  -22.41672      10.63206  
1 1 1 18 10 21 o 47.00331 8.335554  24.78277       5.875248  13.31342       11.75050  36.25213       11.75050  36.35998 12.87752  57.64664 10.58751  -21.28666      16.67111  
1 1 1 18 10 22 o 50.30980 8.373832  29.06651       5.865717  29.26664       11.73143  28.86638       11.73143  50.50262 11.81313  50.11698 11.87157  0.3856468      16.74766  
1 1 1 18 10 23 f 80.19693 6.665442  70.41720       7.533468  76.60217       15.06694  64.23222       15.06694  84.05304 8.962755  76.34081 9.868206  7.712227       13.33088  
1 1 1 18 11 0  o 71.68244 2.325308  51.54779       3.325971  51.54779       3.325971  51.54779       3.325971  71.68244 2.325308  71.68244 2.325308  0.000000       0.000000  
1 1 1 18 11 1  o 368.3372 2.066859  1358.288       10.74985  1271.331       21.49969  1445.244       21.49969  356.5332 3.015104  380.1411 2.827857  -23.60788      4.133718  
1 1 1 18 11 2  o 540.7133 2.907367  2925.197       22.22397  2833.461       44.44794  3016.932       44.44794  532.2305 4.175629  549.1962 4.046636  -16.96570      5.814734  
1 1 1 18 11 3  o 887.5078 4.695841  7884.392       58.91449  7623.641       117.8290  8145.142       117.8290  872.8177 6.749919  902.1979 6.530107  -29.38013      9.391683  
1 1 1 18 11 4  o 745.6915 4.076482  5564.083       42.98508  5474.807       85.97017  5653.360       85.97017  739.7053 5.811109  751.6777 5.718552  -11.97241      8.152965  
1 1 1 18 11 5  o 616.3942 3.313142  3801.238       28.88067  3777.808       57.76134  3824.667       57.76134  614.4937 4.699914  618.2947 4.671021  -3.801086      6.626283  
1 1 1 18 11 6  o 443.7132 2.427850  1969.485       15.23371  1997.689       30.46742  1941.281       30.46742  446.8914 3.408817  440.5350 3.458003  6.356384       4.855700  
1 1 1 18 11 7  o 64.31911 1.327882  41.42693       1.205545  38.47263       2.411091  44.38123       2.411091  62.02251 1.943723  66.61570 1.809702  -4.593193      2.655763  
1 1 1 18 11 8  o 397.9221 2.209406  1585.788       12.41283  1690.899       24.82566  1480.677       24.82566  411.1296 3.019202  384.7146 3.226504  26.41498       4.418812  
1 1 1 18 11 9  o 134.4644 1.206896  180.9938       2.291966  170.1677       4.583931  191.8199       4.583931  130.4387 1.757121  138.4900 1.654969  -8.051270      2.413793  
1 1 1 18 11 10 o 209.1277 1.360021  437.4796       4.021661  446.3187       8.043323  428.6405       8.043323  211.2410 1.903826  207.0144 1.942697  4.226624       2.720042  
1 1 1 18 11 11 o 268.6842 1.646883  722.2838       6.256447  739.4425       12.51289  705.1250       12.51289  271.8773 2.301202  265.4911 2.356556  6.386261       3.293765  
1 1 1 18 11 12 o 402.9794 2.300424  1625.409       13.10852  1596.371       26.21704  1654.447       26.21704  399.3765 3.282247  406.5822 3.224076  -7.205780      4.600849  
1 1 1 18 11 13 f 220.0113 1.552911  484.2433       4.831712  487.0117       9.663424  481.4749       9.663424  220.6404 2.189858  219.3821 2.202419  1.258316       3.105821  
1 1 1 18 11 14 o 396.6743 2.290707  1575.786       12.84168  1642.935       25.68336  1508.638       25.68336  405.1382 3.169704  388.2103 3.307918  16.92783       4.581413  
1 1 1 18 11 15 o 221.5110 1.695878  491.5910       5.303447  524.8078       10.60689  458.3741       10.60689  229.0087 2.315828  214.0132 2.478094  14.99554       3.391756  
1 1 1 18 11 16 o 253.2157 1.804454  641.8886       6.461343  650.3847       12.92269  633.3926       12.92269  254.8933 2.534921  251.5380 2.568734  3.355240       3.608908  
1 1 1 18 11 17 o 206.4173 1.962199  426.8061       5.727532  433.1959       11.45506  420.4161       11.45506  207.9651 2.754083  204.8695 2.795698  3.095596       3.924398  
1 1 1 18 11 18 o 137.6239 2.269701  190.0092       4.417156  192.7729       8.834313  187.2455       8.834313  138.6280 3.186339  136.6198 3.233174  2.008148       4.539402  
1 1 1 18 11 19 o 20.17547 6.466208  -12.30800      4.555342  -27.29393      9.110683  2.677931       9.110683  14.18915 7.139857  26.16178 10.78285  -11.97263      12.93242  
1 1 1 18 11 20 o 25.53119 7.592941  0.8719954      4.779297  -3.478451      9.558595  5.222442       9.558595  22.67363 10.16528  28.38876 11.28176  -5.715134      15.18588  
1 1 1 18 11 21 o 51.65073 7.588223  29.48583       5.470222  20.50857       10.94044  38.46309       10.94044  42.74847 12.19489  60.55298 9.033779  -17.80451      15.17645  
1 1 1 18 11 22 o 69.80861 7.231969  52.79622       7.114148  48.03122       14.22830  57.56122       14.22830  66.39571 10.71477  73.22152 9.715926  -6.825813      14.46394  
1 1 1 18 11 23 o 33.39883 13.89112  8.348284       15.32425  8.348284       15.32425  ?              ?         33.39883 13.89112  ?        ?         ?              ?         
1 1 1 18 12 0  o 46.26050 3.628392  21.79512       3.316442  21.79512       3.316442  21.79512       3.316442  46.26050 3.628392  46.26050 3.628392  0.000000       0.000000  
1 1 1 18 12 1  o 195.6818 1.261351  383.1252       3.487981  365.9617       6.975962  400.2887       6.975962  191.2962 1.823340  200.0674 1.743403  -8.771149      2.522702  
1 1 1 18 12 2  o 695.0367 3.688262  4833.785       36.24260  4967.715       72.48521  4699.854       72.48521  704.6715 5.143191  685.4020 5.287788  19.26953       7.376524  
1 1 1 18 12 3  o 129.5152 1.384041  168.1760       2.525451  151.3174       5.050902  185.0345       5.050902  123.0068 2.053098  136.0235 1.856628  -13.01668      2.768083  
1 1 1 18 12 4  o 275.9861 1.603036  761.7808       6.256447  753.8233       12.51289  769.7384       12.51289  274.5445 2.278847  277.4278 2.255162  -2.883331      3.206073  
1 1 1 18 12 5  o 163.9358 1.117594  269.3465       2.582631  294.3532       5.165262  244.3398       5.165262  171.5628 1.505356  156.3088 1.652262  15.25398       2.235188  
1 1 1 18 12 6  o 134.7901 1.290864  183.2096       2.430151  216.3311       4.860302  150.0880       4.860302  147.0764 1.652305  122.5038 1.983736  24.57267       2.581728  
1 1 1 18 12 7  o 228.3119 1.420584  521.5533       4.583931  542.8671       9.167863  500.2395       9.167863  232.9796 1.967525  223.6442 2.049654  9.335403       2.841168  
1 1 1 18 12 8  o 108.7402 1.281667  121.8745       1.882176  80.52853       3.764351  163.2204       3.764351  89.72885 2.097626  127.7515 1.473310  -38.02267      2.563333  
1 1 1 18 12 9  o 433.1148 2.527053  1877.992       15.46720  1794.738       30.93439  1961.246       30.93439  423.5037 3.652199  442.7259 3.493628  -19.22217      5.054107  
1 1 1 18 12 10 o 194.0587 1.351513  376.7973       3.707171  390.8064       7.414343  362.7882       7.414343  197.6682 1.875452  190.4491 1.946542  7.219009       2.703025  
1 1 1 18 12 11 o 265.5958 1.712662  705.7253       6.432753  711.5386       12.86551  699.9120       12.86551  266.6902 2.412069  264.5015 2.432029  2.188751       3.425323  
1 1 1 18 12 12 o 134.9089 1.358683  182.0612       2.592161  183.5955       5.184323  180.5269       5.184323  135.4775 1.913351  134.3402 1.929550  1.137314       2.717366  
1 1 1 18 12 13 o 242.0160 1.594096  585.9761       5.455927  589.1830       10.91185  582.7693       10.91185  242.6785 2.248212  241.3534 2.260555  1.325027       3.188192  
1 1 1 18 12 14 o 411.8907 2.382207  1698.375       13.87568  1718.107       27.75137  1678.644       27.75137  414.2860 3.349301  409.4955 3.388484  4.790558       4.764414  
1 1 1 18 12 15 o 173.2811 1.678728  300.7860       4.107431  320.1319       8.214863  281.4401       8.214863  178.8633 2.296408  167.6989 2.449290  11.16446       3.357456  
1 1 1 18 12 16 o 194.2312 1.741511  377.8789       4.779297  396.4862       9.558595  359.2716       9.558595  199.0212 2.401401  189.4412 2.522839  9.579987       3.483022  
1 1 1 18 12 17 o 152.7882 2.052110  234.1522       4.426687  249.7433       8.853374  218.5611       8.853374  157.8904 2.803645  147.6860 2.997364  10.20438       4.104219  
1 1 1 18 12 18 o 73.08587 3.660939  53.93506       3.778647  57.18955       7.557293  50.68056       7.557293  75.31236 5.017300  70.85938 5.332599  4.452972       7.321879  
1 1 1 18 12 19 o 62.85500 4.834125  40.23091       4.293266  38.31062       8.586533  42.15121       8.586533  61.32744 7.000564  64.38256 6.668369  -3.055122      9.668249  
1 1 1 18 12 20 o 51.53740 7.205064  28.99027       5.112847  38.52980       10.22569  19.45074       10.22569  61.03740 8.376582  42.03740 11.72538  19.00000       14.41013  
1 1 1 18 12 21 o 107.3327 4.121840  117.8576       6.242152  108.8136       12.48430  126.9015       12.48430  103.1197 6.053308  111.5458 5.596045  -8.426094      8.243680  
1 1 1 18 12 22 o 58.44913 8.802520  39.58287       7.066498  34.00305       14.13300  45.16269       14.13300  53.72845 13.22403  63.16982 11.62164  -9.441360      17.60504  
1 1 1 18 12 23 o 91.32642 6.058609  91.54522       7.519173  64.41330       15.03835  118.6771       15.03835  76.47205 9.832577  106.1808 7.081482  -29.70872      12.11722  
1 1 1 18 13 0  o 99.97362 2.180489  100.0936       4.355212  100.0936       4.355212  100.0936       4.355212  99.97362 2.180489  99.97362 2.180489  0.000000       0.000000  
1 1 1 18 13 1  o 216.0438 1.381013  466.9559       4.217027  485.1725       8.434053  448.7393       8.434053  220.2598 1.914570  211.8279 1.990780  8.431915       2.762025  
1 1 1 18 13 2  o 310.6789 1.735748  967.1143       7.604944  883.6791       15.20989  1050.549       15.20989  297.2510 2.558425  324.1068 2.346432  -26.85574      3.471495  
1 1 1 18 13 3  o 159.9250 1.145537  255.9997       2.587396  271.2335       5.174792  240.7660       5.174792  164.6878 1.571091  155.1623 1.667542  9.525543       2.291075  
1 1 1 18 13 4  o 451.8899 2.443445  2045.110       15.58632  2188.794       31.17264  1901.426       31.17264  467.7880 3.331920  435.9918 3.574912  31.79620       4.886890  
1 1 1 18 13 5  o 489.3552 2.659760  2397.149       18.38814  2522.144       36.77629  2272.153       36.77629  502.1266 3.662053  476.5837 3.858324  25.54291       5.319520  
1 1 1 18 13 6  o 312.7192 1.775735  978.9601       7.843193  1036.035       15.68639  921.8850       15.68639  321.8449 2.436949  303.5936 2.583452  18.25125       3.551470  
1 1 1 18 13 7  o 109.5784 1.230602  121.5409       1.872646  95.11897       3.745291  147.9628       3.745291  97.52223 1.920224  121.6346 1.539567  -24.11237      2.461205  
1 1 1 18 13 8  o 47.03034 1.929607  22.30974       1.267491  18.27855       2.534981  26.34093       2.534981  42.74461 2.965264  51.31607 2.469968  -8.571465      3.859214  
1 1 1 18 13 9  o 163.1634 1.389296  267.2737       3.187786  234.6764       6.375573  299.8711       6.375573  153.1742 2.081151  173.1526 1.841027  -19.97836      2.778592  
1 1 1 18 13 10 o 209.6608 1.430291  439.6858       4.240851  441.7633       8.481703  437.6082       8.481703  210.1563 2.017951  209.1653 2.027512  0.9909210      2.860582  
1 1 1 18 13 11 o 107.5173 1.481184  117.7194       2.191901  86.67538       4.383801  148.7634       4.383801  93.08060 2.354842  121.9541 1.797317  -28.87347      2.962368  
1 1 1 18 13 12 o 460.4350 2.579840  2122.432       16.79663  2083.888       33.59326  2160.976       33.59326  456.2493 3.681459  464.6206 3.615129  -8.371277      5.159680  
1 1 1 18 13 13 o 235.0642 1.617829  553.6932       5.365392  597.6837       10.73078  509.7027       10.73078  244.4213 2.195141  225.7071 2.377148  18.71423       3.235657  
1 1 1 18 13 14 o 125.4112 1.670589  157.5024       2.959066  148.2297       5.918132  166.7751       5.918132  121.7143 2.431158  129.1081 2.291929  -7.393822      3.341177  
1 1 1 18 13 15 o 166.9879 1.670703  279.0528       3.945422  280.7253       7.890843  277.3803       7.890843  167.4887 2.355635  166.4871 2.369806  1.001587       3.341406  
1 1 1 18 13 16 o 194.9818 1.776616  380.6522       4.898422  387.0707       9.796844  374.2337       9.796844  196.6277 2.491217  193.3359 2.533633  3.291840       3.553232  
1 1 1 18 13 17 o 145.2140 1.984508  211.3469       4.074077  205.0094       8.148153  217.6843       8.148153  143.0319 2.848370  147.3961 2.764033  -4.364227      3.969016  
1 1 1 18 13 18 o 65.23730 4.677158  43.34723       4.293266  38.39639       8.586533  48.29806       8.586533  61.44282 6.987418  69.03178 6.219262  -7.588959      9.354316  
1 1 1 18 13 19 o 108.3386 3.112261  120.1114       4.655407  90.46832       9.310814  149.7545       9.310814  94.65781 4.918143  122.0193 3.815302  -27.36153      6.224522  
1 1 1 18 13 20 o 37.08013 8.441381  14.34742       5.150967  10.00650       10.30193  18.68834       10.30193  32.93324 12.01799  41.22702 11.85730  -8.293777      16.88276  
1 1 1 18 13 21 o 65.08611 6.948455  45.05785       6.394632  44.14298       12.78926  45.97274       12.78926  64.38329 9.932132  65.78893 9.719922  -1.405647      13.89691  
1 1 1 18 13 22 o 33.51920 9.502686  9.148804       6.866368  7.423873       13.73274  10.87373       13.73274  32.42240 13.27972  34.61600 13.59607  -2.193604      19.00537  
1 1 1 18 13 23 o 45.74296 13.73226  26.20751       13.56120  26.20751       13.56120  ?              ?         45.74296 13.73226  ?        ?         ?              ?         
1 1 1 18 14 0  o 351.3209 3.907258  1234.888       27.44641  1234.888       27.44641  1234.888       27.44641  351.3209 3.907258  351.3209 3.907258  0.000000       0.000000  
1 1 1 18 14 1  o 371.3909 2.110423  1379.625       11.08340  1401.997       22.16679  1357.254       22.16679  374.4028 2.960287  368.3790 3.008693  6.023743       4.220845  
1 1 1 18 14 2  o 202.7910 1.256398  412.7874       3.583282  462.7961       7.166563  362.7786       7.166563  215.1211 1.665704  190.4609 1.881374  24.66020       2.512795  
1 1 1 18 14 3  o 192.8172 1.353788  374.2957       3.654756  435.0446       7.309513  313.5467       7.309513  208.5702 1.752291  177.0642 2.064085  31.50600       2.707576  
1 1 1 18 14 4  o 280.1509 1.697271  785.4058       6.718653  823.1255       13.43731  747.6860       13.43731  286.8830 2.341949  273.4189 2.457274  13.46408       3.394543  
1 1 1 18 14 5  o 214.5916 1.433973  460.9806       4.345681  489.1751       8.691362  432.7861       8.691362  221.1609 1.964941  208.0222 2.089047  13.13870       2.867945  
1 1 1 18 14 6  o 174.9464 1.317387  306.4039       3.254497  325.7355       6.508993  287.0723       6.508993  180.4715 1.803330  169.4214 1.920947  11.05002       2.634775  
1 1 1 18 14 7  o 223.6909 1.443978  500.6921       4.564872  479.3783       9.129744  522.0060       9.129744  218.9268 2.085113  228.4551 1.998149  -9.528229      2.887957  
1 1 1 18 14 8  o 352.2068 2.078858  1242.941       10.33052  1145.011       20.66105  1340.872       20.66105  338.3044 3.053618  366.1092 2.821706  -27.80478      4.157717  
1 1 1 18 14 9  o 130.1518 1.245213  169.4244       2.291966  169.7961       4.583931  169.0527       4.583931  130.2946 1.759064  130.0091 1.762928  0.2855530      2.490426  
1 1 1 18 14 10 o 343.0011 2.006906  1177.122       9.734899  1169.913       19.46980  1184.332       19.46980  341.9502 2.846877  344.0521 2.829484  -2.101898      4.013812  
1 1 1 18 14 11 o 130.7119 1.406731  171.2684       2.592161  155.5487       5.184323  186.9882       5.184323  124.6988 2.078738  136.7250 1.895894  -12.02625      2.813462  
1 1 1 18 14 12 o 210.8201 1.520492  445.3515       4.521987  409.1326       9.043974  481.5702       9.043974  202.2301 2.236060  219.4101 2.060975  -17.17996      3.040984  
1 1 1 18 14 13 o 69.23940 2.343525  48.23135       2.277671  54.99765       4.555342  41.46505       4.555342  74.12556 3.072720  64.35323 3.539326  9.772331       4.687050  
1 1 1 18 14 14 o 382.2403 2.298942  1462.813       12.42712  1473.577       24.85425  1452.049       24.85425  383.6483 3.239197  380.8323 3.263149  2.816071       4.597884  
1 1 1 18 14 15 o 121.8849 1.899062  148.8539       3.268791  139.7099       6.537583  157.9979       6.537583  118.1339 2.767023  125.6360 2.601794  -7.502197      3.798125  
1 1 1 18 14 16 o 55.64293 4.142962  31.18217       3.259262  30.35306       6.518523  32.01128       6.518523  54.89791 5.936950  56.38796 5.780066  -1.490051      8.285925  
1 1 1 18 14 17 o 133.0431 2.118359  177.5297       3.983541  184.2912       7.967083  170.7682       7.967083  135.5842 2.938057  130.5020 3.052475  5.082214       4.236719  
1 1 1 18 14 18 o 91.60109 3.350152  84.97904       4.307562  96.82484       8.615124  73.13326       8.615124  98.06705 4.392466  85.13512 5.059677  12.93193       6.700305  
1 1 1 18 14 19 o 46.46131 7.255762  23.54387       4.669702  18.31667       9.339403  28.77108       9.339403  40.99002 11.11373  51.93260 9.331097  -10.94257      14.51152  
1 1 1 18 14 20 o 45.07259 8.417690  22.57181       5.446397  23.36757       10.89279  21.77606       10.89279  45.86824 11.80668  44.27695 12.00134  1.591297       16.83538  
1 1 1 18 14 21 o 28.45494 8.678739  1.062595       6.366043  2.268141       12.73209  -0.1429501     12.73209  29.10533 12.40798  27.80454 12.13771  1.300791       17.35748  
1 1 1 18 14 22 o 86.88767 5.922520  81.16228       7.118913  99.43607       14.23783  62.88850       14.23783  97.40343 7.308688  76.37192 9.321375  21.03151       11.84504  
1 1 1 18 14 23 o 58.54514 8.674911  43.77131       7.738363  72.22791       15.47673  15.31472       15.47673  80.35608 9.630091  36.73420 14.43183  43.62188       17.34982  
1 1 1 18 15 0  o 449.0917 5.014773  2018.121       45.02927  2018.121       45.02927  2018.121       45.02927  449.0917 5.014773  449.0917 5.014773  0.000000       0.000000  
1 1 1 18 15 1  o 176.4333 1.194104  311.7312       2.973361  288.7210       5.946723  334.7414       5.946723  169.9124 1.749938  182.9542 1.625194  -13.04185      2.388209  
1 1 1 18 15 2  o 236.3659 1.418188  559.0682       4.736412  586.2000       9.472824  531.9363       9.472824  242.1053 1.956344  230.6265 2.053715  11.47876       2.836376  
1 1 1 18 15 3  o 513.0695 2.789696  2633.374       20.24173  2638.210       40.48346  2628.537       40.48346  513.5408 3.941601  512.5981 3.948849  0.9426270      5.579393  
1 1 1 18 15 4  o 100.8242 1.181198  102.3284       1.667751  118.7820       3.335501  85.87486       3.335501  108.9837 1.530275  92.66467 1.799770  16.31906       2.362396  
1 1 1 18 15 5  o 455.6912 2.538290  2080.204       16.32490  1927.891       32.64980  2232.518       32.64980  438.9788 3.718835  472.4035 3.455711  -33.42468      5.076581  
1 1 1 18 15 6  o 292.6965 1.710731  856.9427       7.080793  844.8444       14.16159  869.0411       14.16159  290.6298 2.436362  294.7632 2.402197  -4.133423      3.421463  
1 1 1 18 15 7  o 286.8429 1.665608  823.3780       6.752007  788.1218       13.50401  858.6343       13.50401  280.6974 2.405440  292.9885 2.304530  -12.29114      3.331216  
1 1 1 18 15 8  o 231.5677 1.460744  536.6822       4.779297  563.3566       9.558595  510.0077       9.558595  237.3272 2.013801  225.8081 2.116530  11.51906       2.921488  
1 1 1 18 15 9  o 242.0272 1.518831  585.9285       5.198617  587.1816       10.39723  584.6752       10.39723  242.2861 2.145652  241.7683 2.150247  0.5178070      3.037661  
1 1 1 18 15 10 o 31.18082 4.106699  10.46871       1.729696  5.136672       3.459391  15.80075       3.459391  22.63853 6.964139  39.72311 4.354382  -17.08458      8.213397  
1 1 1 18 15 11 o 181.7950 1.384904  330.6626       3.559456  340.1068       7.118913  321.2183       7.118913  184.3925 1.930369  179.1976 1.986331  5.194992       2.769808  
1 1 1 18 15 12 o 129.0113 1.488417  166.8704       2.706521  182.6044       5.413042  151.1363       5.413042  135.1093 2.003209  122.9134 2.201974  12.19585       2.976833  
1 1 1 18 15 13 o 128.8583 1.652874  166.1556       3.011481  169.9962       6.022963  162.3150       6.022963  130.3486 2.310330  127.3681 2.364393  2.980476       3.305749  
1 1 1 18 15 14 o 230.7248 1.714077  537.2015       5.522637  634.8984       11.04527  439.5047       11.04527  251.8966 2.192423  209.5531 2.635436  42.34344       3.428154  
1 1 1 18 15 15 o 32.42516 6.330564  10.89756       3.073426  7.690712       6.146852  14.10441       6.146852  28.22438 9.346907  36.62592 8.540464  -8.401539      12.66113  
1 1 1 18 15 16 o 118.1980 2.151417  140.3150       3.583282  126.6061       7.166563  154.0239       7.166563  112.3989 3.188005  123.9971 2.889810  -11.59825      4.302834  
1 1 1 18 15 17 o 86.67754 3.041414  75.57769       3.726231  72.77110       7.452463  78.38428       7.452463  85.05855 4.380784  88.29652 4.220134  -3.237968      6.082829  
1 1 1 18 15 18 o 121.1044 2.606534  147.5769       4.455277  158.2552       8.910554  136.8985       8.910554  125.5131 3.549650  116.6957 3.817860  8.817490       5.213067  
1 1 1 18 15 19 o 112.2567 3.205677  127.2827       5.089022  128.3978       10.17804  126.1677       10.17804  112.7533 4.513412  111.7601 4.553524  0.9932709      6.411355  
1 1 1 18 15 20 f 28.85074 8.126325  4.574402       5.141437  -0.3049601     10.28287  9.453763       10.28287  25.32257 10.97991  32.37891 11.98292  -7.056349      16.25265  
1 1 1 18 15 21 o 65.65132 6.556156  45.81549       6.032492  39.13973       12.06498  52.49126       12.06498  60.56706 9.960022  70.73558 8.528230  -10.16852      13.11231  
1 1 1 18 15 22 o 80.83340 6.048588  69.67386       6.914018  70.55062       13.82804  68.79710       13.82804  81.37572 8.496414  80.29107 8.611192  1.084656       12.09718  
1 1 1 18 15 23 o 30.89723 13.37481  7.061733       15.20989  7.061733       15.20989  ?              ?         30.89723 13.37481  ?        ?         ?              ?         
1 1 1 18 16 0  o 293.8825 3.474122  864.1522       20.41327  864.1522       20.41327  864.1522       20.41327  293.8825 3.474122  293.8825 3.474122  0.000000       0.000000  
1 1 1 18 16 1  o 183.5933 1.273435  337.3764       3.302146  317.7494       6.604293  357.0035       6.604293  178.2481 1.852556  188.9386 1.747735  -10.69049      2.546870  
1 1 1 18 16 2  f 332.2770 1.901312  1106.638       8.905789  1004.424       17.81158  1208.852       17.81158  316.8961 2.810318  347.6578 2.561653  -30.76175      3.802625  
1 1 1 18 16 3  o 242.8141 1.525773  590.9316       5.222442  536.1771       10.44488  645.6863       10.44488  231.5391 2.255533  254.0891 2.055358  -22.55000      3.051545  
1 1 1 18 16 4  o 233.5159 1.650712  545.4021       5.451162  540.4179       10.90232  550.3864       10.90232  232.4487 2.345104  234.5831 2.323766  -2.134415      3.301424  
1 1 1 18 16 5  o 428.6144 2.454202  1839.438       14.85728  1946.475       29.71455  1732.402       29.71455  441.1007 3.368227  416.1281 3.570361  24.97260       4.908404  
1 1 1 18 16 6  o 578.0906 3.120941  3345.823       25.50229  3223.772       51.00458  3467.873       51.00458  567.5342 4.493525  588.6469 4.332358  -21.11273      6.241882  
1 1 1 18 16 7  o 344.5184 1.995652  1191.479       9.672954  1051.912       19.34591  1331.046       19.34591  324.2631 2.983058  364.7738 2.651768  -40.51074      3.991304  
1 1 1 18 16 8  o 120.3829 1.228302  145.1324       2.087071  134.6780       4.174142  155.5869       4.174142  116.0407 1.798567  124.7250 1.673338  -8.684296      2.456604  
1 1 1 18 16 9  o 256.8741 1.615319  660.2244       5.865717  681.7002       11.73143  638.7485       11.73143  261.0543 2.246934  252.6939 2.321274  8.360458       3.230638  
1 1 1 18 16 10 o 300.8678 1.965365  906.7513       8.348284  845.8737       16.69657  967.6289       16.69657  290.7508 2.871285  310.9848 2.684466  -20.23404      3.930730  
1 1 1 18 16 11 o 68.29907 2.111161  47.18781       2.006066  37.45291       4.012132  56.92271       4.012132  61.17241 3.279364  75.42574 2.659657  -14.25333      4.222322  
1 1 1 18 16 12 o 136.4210 1.479436  186.1781       2.854236  185.4348       5.708472  186.9215       5.708472  136.1486 2.096413  136.6935 2.088056  -0.5448914     2.958873  
1 1 1 18 16 13 o 47.55394 3.459052  22.70047       2.320556  24.53023       4.641112  20.87071       4.641112  49.47782 4.690094  45.63005 5.085587  3.847763       6.918105  
1 1 1 18 16 14 f 118.3587 1.859500  140.3817       3.106781  130.5611       6.213562  150.2024       6.213562  114.2100 2.720237  122.5073 2.535996  -8.297386      3.719000  
1 1 1 18 16 15 o 134.3620 1.964291  181.7276       3.702406  155.2247       7.404812  208.2306       7.404812  124.4995 2.973833  144.2245 2.567113  -19.72503      3.928582  
1 1 1 18 16 16 o 70.89894 3.345363  50.69009       3.335501  44.54324       6.671002  56.83695       6.671002  66.56400 5.010969  75.23388 4.433510  -8.669884      6.690727  
1 1 1 18 16 17 o 40.07337 6.851681  17.21595       3.912067  22.13820       7.824133  12.29370       7.824133  45.79068 8.859558  34.35606 10.45420  11.43461       13.70336  
1 1 1 18 16 18 o 48.29665 6.538414  24.66365       4.355212  20.32750       8.710423  28.99980       8.710423  43.41229 10.19495  53.18100 8.189414  -9.768703      13.07683  
1 1 1 18 16 19 o 39.93690 7.564916  17.34937       4.569637  24.26339       9.139274  10.43535       9.139274  47.27883 9.975788  32.59497 11.37521  14.68386       15.12983  
1 1 1 18 16 20 o 51.45599 7.944973  29.20470       5.794242  38.56792       11.58848  19.84147       11.58848  60.62259 9.557894  42.28941 12.69398  18.33318       15.88995  
1 1 1 18 16 21 o 81.09570 6.151246  71.43214       6.694828  46.93527       13.38966  95.92902       13.38966  65.99202 10.14491  96.19939 6.959325  -30.20737      12.30249  
1 1 1 18 16 22 o 35.34539 9.294903  8.596063       7.261863  -8.062383      14.52373  25.25451       14.52373  25.47188 11.83455  45.21890 14.33612  -19.74702      18.58981  
1 1 1 18 17 0  o 219.7536 2.793832  483.1997       12.27464  483.1997       12.27464  483.1997       12.27464  219.7536 2.793832  219.7536 2.793832  0.000000       0.000000  
1 1 1 18 17 1  o 706.6412 3.766644  4997.881       37.63398  4881.544       75.26797  5114.219       75.26797  698.4095 5.388527  714.8730 5.264430  -16.46356      7.533289  
1 1 1 18 17 2  f 372.8936 2.118849  1391.238       11.16916  1345.112       22.33833  1437.363       22.33833  366.7088 3.045786  379.0783 2.946400  -12.36954      4.237699  
1 1 1 18 17 3  o 447.4477 2.435575  2003.850       15.40049  1914.511       30.80097  2093.189       30.80097  437.4645 3.520397  457.4309 3.366735  -19.96640      4.871150  
1 1 1 18 17 4  o 558.6754 3.042637  3123.187       24.03944  3128.662       48.07887  3117.712       48.07887  559.1655 4.299163  558.1854 4.306711  0.9800415      6.085274  
1 1 1 18 17 5  o 113.9216 1.121290  130.5086       1.791641  111.2533       3.583282  149.7640       3.583282  105.4705 1.698713  122.3728 1.464084  -16.90229      2.242580  
1 1 1 18 17 6  o 550.0504 2.984024  3029.912       23.19127  3178.971       46.38253  2880.854       46.38253  563.5999 4.114845  536.5009 4.322690  27.09906       5.968048  
1 1 1 18 17 7  o 536.9970 2.905103  2886.119       22.06196  2871.352       44.12392  2900.885       44.12392  535.6221 4.118941  538.3719 4.097903  -2.749878      5.810205  
1 1 1 18 17 8  o 316.1088 1.851514  999.6641       8.276809  1009.447       16.55362  989.8815       16.55362  317.6561 2.605587  314.5614 2.631222  3.094696       3.703028  
1 1 1 18 17 9  o 178.1158 1.365601  317.5969       3.435566  335.9136       6.871132  299.2802       6.871132  183.2576 1.874720  172.9740 1.986175  10.28357       2.731202  
1 1 1 18 17 10 o 232.7898 1.536565  542.3144       5.055667  521.0244       10.11133  563.6044       10.11133  228.2170 2.215289  237.3626 2.129934  -9.145584      3.073130  
1 1 1 18 17 11 o 179.9804 1.513012  324.3680       3.845356  344.7669       7.690712  303.9690       7.690712  185.6474 2.071322  174.3134 2.206002  11.33398       3.026024  
1 1 1 18 17 12 o 156.5137 1.520384  246.5221       3.335501  284.2133       6.671002  208.8310       6.671002  168.5545 1.978886  144.4728 2.308740  24.08171       3.040768  
1 1 1 18 17 13 o 94.59148 2.094788  89.56297       2.801821  87.75227       5.603642  91.37367       5.603642  93.63436 2.992300  95.54859 2.932352  -1.914230      4.189576  
1 1 1 18 17 14 o 70.78104 2.918940  50.21835       2.920946  48.78409       5.841892  51.65262       5.841892  69.76787 4.186664  71.79421 4.068498  -2.026344      5.837879  
1 1 1 18 17 15 o 140.3863 1.899052  197.5427       3.764351  210.3367       7.528703  184.7487       7.528703  144.9430 2.597125  135.8296 2.771379  9.113449       3.798105  
1 1 1 18 17 16 o 106.2792 2.526080  113.9264       3.764351  96.86296       7.528703  130.9899       7.528703  98.25153 3.831341  114.3069 3.293198  -16.05534      5.052161  
1 1 1 18 17 17 o 35.76962 7.340962  13.53737       3.931127  13.57072       7.862253  13.50401       7.862253  35.80768 10.37812  35.73155 10.38526  0.7612610E-01  14.68192  
1 1 1 18 17 18 o 83.01639 3.865897  69.99789       4.507692  79.30869       9.015384  60.68706       9.015384  88.62420 5.086299  77.40857 5.823246  11.21563       7.731794  
1 1 1 18 17 19 o 135.1221 2.875206  184.0530       5.494047  182.1470       10.98809  185.9590       10.98809  134.4168 4.087323  135.8273 4.044876  -1.410583      5.750412  
1 1 1 18 17 20 o 41.35239 7.924001  17.59715       5.636997  33.08818       11.27399  2.106131       11.27399  54.95224 10.63764  27.75253 11.74733  27.19970       15.84800  
1 1 1 18 17 21 o 53.19791 9.111022  33.36454       6.942607  43.21857       13.88521  23.51052       13.88521  61.75790 11.66726  44.63792 13.99707  17.11998       18.22204  
1 1 1 18 17 22 o 41.53379 14.32478  21.01366       14.45702  21.01366       14.45702  ?              ?         41.53379 14.32478  ?        ?         ?              ?         
1 1 1 18 18 0  o 98.83361 3.616853  98.08279       7.128443  98.08279       7.128443  98.08279       7.128443  98.83361 3.616853  98.83361 3.616853  0.000000       0.000000  
1 1 1 18 18 1  o 250.1481 3.617142  626.2642       18.08795  626.2642       18.08795  626.2642       18.08795  250.1481 3.617142  250.1481 3.617142  0.000000       0.000000  
1 1 1 18 18 2  o 156.2389 2.924012  244.3969       9.129744  244.3969       9.129744  244.3969       9.129744  156.2389 2.924012  156.2389 2.924012  0.000000       0.000000  
1 1 1 18 18 3  o 234.3328 3.768098  549.6811       17.64957  549.6811       17.64957  549.6811       17.64957  234.3328 3.768098  234.3328 3.768098  0.000000       0.000000  
1 1 1 18 18 4  o 27.60414 7.463827  9.110683       3.554691  9.110683       3.554691  9.110683       3.554691  27.60414 7.463827  27.60414 7.463827  0.000000       0.000000  
1 1 1 18 18 5  o 387.8534 4.357699  1505.531       33.79339  1505.531       33.79339  1505.531       33.79339  387.8534 4.357699  387.8534 4.357699  0.000000       0.000000  
1 1 1 18 18 6  o 363.6201 4.180214  1323.279       30.39118  1323.279       30.39118  1323.279       30.39118  363.6201 4.180214  363.6201 4.180214  0.000000       0.000000  
1 1 1 18 18 7  o 97.04814 2.872955  94.45187       5.565523  94.45187       5.565523  94.45187       5.565523  97.04814 2.872955  97.04814 2.872955  0.000000       0.000000  
1 1 1 18 18 8  o 498.9758 5.552704  2492.973       55.39791  2492.973       55.39791  2492.973       55.39791  498.9758 5.552704  498.9758 5.552704  0.000000       0.000000  
1 1 1 18 18 9  o 607.2661 6.580361  3694.878       79.89955  3694.878       79.89955  3694.878       79.89955  607.2661 6.580361  607.2661 6.580361  0.000000       0.000000  
1 1 1 18 18 10 o 49.68745 5.153133  25.50229       5.022312  25.50229       5.022312  25.50229       5.022312  49.68745 5.153133  49.68745 5.153133  0.000000       0.000000  
1 1 1 18 18 11 o 360.8736 4.601978  1304.048       33.20253  1304.048       33.20253  1304.048       33.20253  360.8736 4.601978  360.8736 4.601978  0.000000       0.000000  
1 1 1 18 18 12 o 208.0965 3.136336  433.5484       13.04657  433.5484       13.04657  433.5484       13.04657  208.0965 3.136336  208.0965 3.136336  0.000000       0.000000  
1 1 1 18 18 13 o 68.25575 5.399825  47.53566       7.280923  47.53566       7.280923  47.53566       7.280923  68.25575 5.399825  68.25575 5.399825  0.000000       0.000000  
1 1 1 18 18 14 o 104.9939 4.121006  110.8816       8.624654  110.8816       8.624654  110.8816       8.624654  104.9939 4.121006  104.9939 4.121006  0.000000       0.000000  
1 1 1 18 18 15 o 216.4245 3.754207  469.4766       16.23913  469.4766       16.23913  469.4766       16.23913  216.4245 3.754207  216.4245 3.754207  0.000000       0.000000  
1 1 1 18 18 16 f 104.9208 5.269155  111.3295       10.99763  111.3295       10.99763  111.3295       10.99763  104.9208 5.269155  104.9208 5.269155  0.000000       0.000000  
1 1 1 18 18 17 o 167.0204 4.555089  280.5919       15.19082  280.5919       15.19082  280.5919       15.19082  167.0204 4.555089  167.0204 4.555089  0.000000       0.000000  
1 1 1 18 18 18 o 32.21919 16.01579  16.10571       12.37947  16.10571       12.37947  16.10571       12.37947  32.21919 16.01579  32.21919 16.01579  0.000000       0.000000  
1 1 1 18 18 19 o 116.3984 6.160618  137.8706       14.25689  137.8706       14.25689  137.8706       14.25689  116.3984 6.160618  116.3984 6.160618  0.000000       0.000000  
1 1 1 18 18 20 o 65.04176 15.46707  51.25236       17.44944  51.25236       17.44944  51.25236       17.44944  65.04176 15.46707  65.04176 15.46707  0.000000       0.000000  
1 1 1 18 18 21 o 62.14278 18.45449  51.45249       19.92724  51.45249       19.92724  51.45249       19.92724  62.14278 18.45449  62.14278 18.45449  0.000000       0.000000  
1 1 1 19 0  1  o 365.2014 3.953158  1334.324       28.86638  1334.324       28.86638  1334.324       28.86638  365.2014 3.953158  365.2014 3.953158  0.000000       0.000000  
1 1 1 19 0  2  o 51.28846 1.929098  26.41717       1.972711  26.41717       1.972711  26.41717       1.972711  51.28846 1.929098  51.28846 1.929098  0.000000       0.000000  
1 1 1 19 0  3  o 193.5250 2.490224  374.7198       9.634833  374.7198       9.634833  374.7198       9.634833  193.5250 2.490224  193.5250 2.490224  0.000000       0.000000  
1 1 1 19 0  4  o 75.93539 3.142911  57.96148       4.755472  57.96148       4.755472  57.96148       4.755472  75.93539 3.142911  75.93539 3.142911  0.000000       0.000000  
1 1 1 19 0  5  o 515.5632 6.283175  2660.062       64.76590  2660.062       64.76590  2660.062       64.76590  515.5632 6.283175  515.5632 6.283175  0.000000       0.000000  
1 1 1 19 0  6  o 117.8066 2.222342  138.9379       5.231973  138.9379       5.231973  138.9379       5.231973  117.8066 2.222342  117.8066 2.222342  0.000000       0.000000  
1 1 1 19 0  7  o 288.6388 3.738937  833.6753       21.57593  833.6753       21.57593  833.6753       21.57593  288.6388 3.738937  288.6388 3.738937  0.000000       0.000000  
1 1 1 19 0  8  o 221.3330 2.564836  490.1281       11.35023  490.1281       11.35023  490.1281       11.35023  221.3330 2.564836  221.3330 2.564836  0.000000       0.000000  
1 1 1 19 0  9  f 567.7327 6.068043  3226.583       68.88287  3226.583       68.88287  3226.583       68.88287  567.7327 6.068043  567.7327 6.068043  0.000000       0.000000  
1 1 1 19 0  10 o 233.2740 3.314699  544.6397       15.45767  544.6397       15.45767  544.6397       15.45767  233.2740 3.314699  233.2740 3.314699  0.000000       0.000000  
1 1 1 19 0  11 o 160.5334 2.479797  257.9391       7.957553  257.9391       7.957553  257.9391       7.957553  160.5334 2.479797  160.5334 2.479797  0.000000       0.000000  
1 1 1 19 0  12 o 107.9561 2.625263  116.7807       5.660822  116.7807       5.660822  116.7807       5.660822  107.9561 2.625263  107.9561 2.625263  0.000000       0.000000  
1 1 1 19 0  13 o 64.08210 4.330637  41.65565       5.498813  41.65565       5.498813  41.65565       5.498813  64.08210 4.330637  64.08210 4.330637  0.000000       0.000000  
1 1 1 19 0  14 o 169.1699 2.962378  286.5577       10.01603  286.5577       10.01603  286.5577       10.01603  169.1699 2.962378  169.1699 2.962378  0.000000       0.000000  
1 1 1 19 0  15 o 269.1323 3.448443  725.0904       18.55492  725.0904       18.55492  725.0904       18.55492  269.1323 3.448443  269.1323 3.448443  0.000000       0.000000  
1 1 1 19 0  16 o 33.95640 12.78680  15.67686       8.090974  15.67686       8.090974  15.67686       8.090974  33.95640 12.78680  33.95640 12.78680  0.000000       0.000000  
1 1 1 19 0  17 f 46.48257 10.79744  24.97814       8.719954  24.97814       8.719954  24.97814       8.719954  46.48257 10.79744  46.48257 10.79744  0.000000       0.000000  
1 1 1 19 0  18 o 273.2566 4.173307  749.0392       22.79577  749.0392       22.79577  749.0392       22.79577  273.2566 4.173307  273.2566 4.173307  0.000000       0.000000  
1 1 1 19 0  19 o 21.33116 13.31180  3.764351       11.25493  3.764351       11.25493  3.764351       11.25493  21.33116 13.31180  21.33116 13.31180  0.000000       0.000000  
1 1 1 19 0  20 o 172.9927 4.695731  301.4245       16.22007  301.4245       16.22007  301.4245       16.22007  172.9927 4.695731  172.9927 4.695731  0.000000       0.000000  
1 1 1 19 0  21 f 115.7783 7.889915  138.0421       18.09748  138.0421       18.09748  138.0421       18.09748  115.7783 7.889915  115.7783 7.889915  0.000000       0.000000  
1 1 1 19 0  22 o 216.6301 6.977650  478.3681       30.16246  478.3681       30.16246  478.3681       30.16246  216.6301 6.977650  216.6301 6.977650  0.000000       0.000000  
1 1 1 19 0  23 o 63.24881 17.85507  52.81528       19.53651  52.81528       19.53651  52.81528       19.53651  63.24881 17.85507  63.24881 17.85507  0.000000       0.000000  
1 1 1 19 1  0  o 171.6602 2.352120  294.8488       8.071913  294.8488       8.071913  294.8488       8.071913  171.6602 2.352120  171.6602 2.352120  0.000000       0.000000  
1 1 1 19 1  1  o 796.1879 4.134542  6341.970       46.55407  6332.239       93.10813  6351.700       93.10813  795.5768 5.851612  796.7989 5.842637  -1.222046      8.269085  
1 1 1 19 1  2  o 155.3918 1.051708  241.4855       2.311026  238.0214       4.622052  244.9497       4.622052  154.2772 1.497970  156.5065 1.476633  -2.229309      2.103416  
1 1 1 19 1  3  o 544.4204 3.142477  2966.457       24.17286  3112.156       48.34571  2820.757       48.34571  557.8016 4.333594  531.0393 4.551990  26.76227       6.284954  
1 1 1 19 1  4  o 637.3763 3.940461  4064.594       35.51356  3984.199       71.02711  4144.990       71.02711  631.0696 5.627519  643.6831 5.517243  -12.61346      7.880922  
1 1 1 19 1  5  o 362.8146 2.375603  1316.599       12.18888  1326.920       24.37775  1306.278       24.37775  364.2370 3.346413  361.3923 3.372755  2.844696       4.751206  
1 1 1 19 1  6  o 209.0036 1.471963  436.8792       4.350447  430.7847       8.700893  442.9737       8.700893  207.5456 2.096140  210.4616 2.067098  -2.915955      2.943926  
1 1 1 19 1  7  o 203.4837 1.409140  414.0977       4.055017  411.5341       8.110033  416.6613       8.110033  202.8538 1.998985  204.1136 1.986647  -1.259842      2.818280  
1 1 1 19 1  8  o 94.57855 1.001790  89.92512       1.329435  76.97384       2.658871  102.8764       2.658871  87.73172 1.515342  101.4254 1.310752  -13.69367      2.003580  
1 1 1 19 1  9  o 319.1498 1.825363  1018.829       8.238688  1021.083       16.47738  1016.575       16.47738  319.5029 2.578595  318.7967 2.584308  0.7062073      3.650726  
1 1 1 19 1  10 o 731.9618 3.866703  5366.207       40.01649  5502.395       80.03297  5230.019       80.03297  741.2648 5.398407  722.6588 5.537397  18.60596       7.733405  
1 1 1 19 1  11 o 188.2507 1.297747  354.4733       3.454626  348.8839       6.909253  360.0626       6.909253  186.7662 1.849707  189.7353 1.820762  -2.969101      2.595494  
1 1 1 19 1  12 f 136.4261 1.256706  186.3688       2.420621  198.7387       4.841242  173.9988       4.841242  140.9597 1.717243  131.8926 1.835297  9.067139       2.513412  
1 1 1 19 1  13 o 304.3067 1.847446  926.7311       7.948023  953.8010       15.89605  899.6609       15.89605  308.7545 2.574221  299.8589 2.650588  8.895630       3.694892  
1 1 1 19 1  14 o 126.1399 1.488551  159.9897       2.635046  182.7759       5.270092  137.2035       5.270092  135.1721 1.949401  117.1078 2.250103  18.06427       2.977101  
1 1 1 19 1  15 o 99.28632 1.914358  98.89285       2.677931  108.7469       5.355862  89.03882       5.355862  104.2487 2.568790  94.32390 2.839080  9.924850       3.828715  
1 1 1 19 1  16 o 196.1191 1.872687  384.9836       5.193852  388.0713       10.38770  381.8958       10.38770  196.9063 2.637728  195.3319 2.658988  1.574417       3.745374  
1 1 1 19 1  17 o 167.0292 1.775277  279.3387       4.193202  275.6935       8.386403  282.9839       8.386403  165.9380 2.526969  168.1204 2.494166  -2.182373      3.550555  
1 1 1 19 1  18 o 37.53825 6.111526  14.83822       3.411741  22.36692       6.823483  7.309513       6.823483  46.94519 7.267499  28.13131 9.827842  18.81388       12.22305  
1 1 1 19 1  19 f 61.78459 4.893946  38.96342       4.250381  34.11741       8.500763  43.80943       8.500763  57.86289 7.345609  65.70628 6.468760  -7.843391      9.787891  
1 1 1 19 1  20 o 32.87213 7.771930  9.101154       4.803122  18.47868       9.606244  -0.2763701     9.606244  41.11465 11.32675  24.62961 10.64501  16.48504       15.54386  
1 1 1 19 1  21 o 40.11137 7.929260  15.63397       5.660822  31.60149       11.32164  -0.3335502     11.32164  53.73157 10.91521  26.49117 11.50439  27.24040       15.85852  
1 1 1 19 1  22 o 126.2681 4.351884  163.6063       7.762188  154.7577       15.52438  172.4549       15.52438  122.7642 6.322844  129.7720 5.981405  -7.007790      8.703768  
1 1 1 19 1  23 o 47.64248 10.00021  27.68943       7.376224  21.33768       14.75245  34.04118       14.75245  42.35291 14.48017  52.93206 13.79642  -10.57915      20.00042  
1 1 1 19 2  0  o 342.5890 3.884458  1174.239       26.60777  1174.239       26.60777  1174.239       26.60777  342.5890 3.884458  342.5890 3.884458  0.000000       0.000000  
1 1 1 19 2  1  o 229.7151 1.324669  528.5435       4.293266  570.3802       8.586533  486.7068       8.586533  238.8214 1.797690  220.6089 1.946099  18.21245       2.649337  
1 1 1 19 2  2  o 158.8291 0.9864434 252.2735       2.215726  252.9454       4.431452  251.6016       4.431452  159.0406 1.393183  158.6176 1.396898  0.4230042      1.972887  
1 1 1 19 2  3  o 687.8428 3.768109  4733.548       36.64763  4627.561       73.29526  4839.536       73.29526  680.1384 5.388260  695.5472 5.268892  -15.40881      7.536217  
1 1 1 19 2  4  o 248.6957 1.685909  619.9983       5.908603  560.0116       11.81721  679.9848       11.81721  236.6355 2.496922  260.7560 2.265951  -24.12048      3.371817  
1 1 1 19 2  5  o 334.7879 2.137378  1122.310       10.10180  1045.394       20.20361  1199.227       20.20361  323.3006 3.124586  346.2753 2.917275  -22.97473      4.274755  
1 1 1 19 2  6  o 688.8177 3.908038  4748.215       38.05807  4882.926       76.11614  4613.503       76.11614  698.5961 5.447793  679.0393 5.604693  19.55682       7.816075  
1 1 1 19 2  7  o 329.3194 1.958287  1084.710       9.120214  1079.578       18.24043  1089.842       18.24043  328.5402 2.775981  330.0986 2.762876  -1.558350      3.916574  
1 1 1 19 2  8  o 159.3412 1.165845  254.6369       2.615986  281.6783       5.231973  227.5955       5.231973  167.8265 1.558744  150.8558 1.734097  16.97075       2.331690  
1 1 1 19 2  9  o 219.0091 1.367861  481.9228       4.207497  416.8995       8.414993  546.9460       8.414993  204.1642 2.060839  233.8540 1.799199  -29.68974      2.735722  
1 1 1 19 2  10 o 359.6497 2.010734  1294.094       10.22569  1318.190       20.45139  1269.997       20.45139  362.9998 2.816998  356.2997 2.869970  6.700043       4.021468  
1 1 1 19 2  11 o 325.2698 1.908973  1058.779       8.777134  1096.389       17.55427  1021.168       17.55427  331.0512 2.651292  319.4884 2.747246  11.56277       3.817946  
1 1 1 19 2  12 o 158.7512 1.280898  252.2211       2.873296  240.2705       5.746593  264.1717       5.746593  154.9873 1.853892  162.5152 1.768017  -7.527893      2.561796  
1 1 1 19 2  13 o 138.8090 1.345171  193.2399       2.630281  212.9670       5.260562  173.5128       5.260562  145.9148 1.802614  131.7032 1.997128  14.21167       2.690342  
1 1 1 19 2  14 o 296.5023 1.815204  880.1530       7.604944  922.1993       15.20989  838.1066       15.20989  303.5927 2.504982  289.4120 2.627723  14.18079       3.630408  
1 1 1 19 2  15 o 59.18000 3.078543  35.11806       2.573101  37.20514       5.146202  33.03099       5.146202  60.94333 4.222121  57.41668 4.481452  3.526649       6.157087  
1 1 1 19 2  16 o 106.3380 2.370782  113.6691       3.545162  99.77914       7.090323  127.5591       7.090323  99.80690 3.552020  112.8690 3.140952  -13.06211      4.741564  
1 1 1 19 2  17 o 306.3004 2.250759  940.6924       9.739664  891.5128       19.47933  989.8721       19.47933  298.2724 3.265359  314.3284 3.098563  -16.05603      4.501518  
1 1 1 19 2  18 o 100.0264 2.696614  100.5129       3.812001  104.7729       7.624003  96.25304       7.624003  102.1558 3.731558  97.89697 3.893891  4.258781       5.393229  
1 1 1 19 2  19 o 126.0720 2.755075  159.8801       4.907952  167.4231       9.815904  152.3371       9.815904  129.0636 3.802740  123.0805 3.987596  5.983086       5.510150  
1 1 1 19 2  20 o 37.31088 6.819195  10.40676       5.108082  31.71585       10.21616  -10.90232      10.21616  54.39706 9.742960  20.22471 9.543605  34.17235       13.63839  
1 1 1 19 2  21 o 47.17184 8.029909  24.65888       5.312977  21.65217       10.62595  27.66560       10.62595  44.15482 11.80207  50.18887 10.89169  -6.034042      16.05982  
1 1 1 19 2  22 o 35.48242 9.208509  11.90297       6.213562  16.94435       12.42712  6.861602       12.42712  39.34119 13.29007  31.62365 12.74992  7.717545       18.41702  
1 1 1 19 2  23 o 73.50430 8.501813  62.19280       8.476938  50.28030       16.95388  74.10531       16.95388  64.85686 13.51477  82.15175 10.31863  -17.29489      17.00363  
1 1 1 19 3  0  o 1070.443 11.03328  11471.17       236.1535  11471.17       236.1535  11471.17       236.1535  1070.443 11.03328  1070.443 11.03328  0.000000       0.000000  
1 1 1 19 3  1  o 181.3250 1.313752  328.8042       3.368856  327.2699       6.737713  330.3385       6.737713  180.9020 1.862255  181.7481 1.853585  -0.8461761     2.627503  
1 1 1 19 3  2  o 373.9963 2.172480  1399.067       11.48842  1368.490       22.97684  1429.644       22.97684  369.9084 3.105747  378.0841 3.038588  -8.175751      4.344961  
1 1 1 19 3  3  o 755.2585 4.009052  5709.191       42.78971  5959.197       85.57943  5459.187       85.57943  771.8095 5.544077  738.7076 5.792511  33.10187       8.018104  
1 1 1 19 3  4  o 354.1544 2.095355  1254.573       10.49253  1225.940       20.98507  1283.206       20.98507  350.1120 2.996908  358.1969 2.929265  -8.084839      4.190710  
1 1 1 19 3  5  o 369.0731 2.276620  1363.744       11.86486  1277.335       23.72971  1450.152       23.72971  357.3670 3.320076  380.7793 3.115940  -23.41232      4.553239  
1 1 1 19 3  6  o 415.1399 2.486590  1724.073       14.59520  1680.607       29.19040  1767.539       29.19040  409.9048 3.560632  420.3751 3.471947  -10.47031      4.973180  
1 1 1 19 3  7  o 302.1927 1.840225  913.8893       7.857488  958.3562       15.71498  869.4222       15.71498  309.5501 2.538357  294.8353 2.665043  14.71478       3.680450  
1 1 1 19 3  8  o 440.6567 2.378786  1942.491       14.82392  1929.254       29.64784  1955.729       29.64784  439.1547 3.375558  442.1587 3.352625  -3.003967      4.757571  
1 1 1 19 3  9  o 91.26341 1.298967  83.59243       1.667751  73.74317       3.335501  93.44169       3.335501  85.86735 1.942241  96.65947 1.725388  -10.79212      2.597934  
1 1 1 19 3  10 o 199.2895 1.327378  397.2677       3.740526  389.5770       7.481052  404.9584       7.481052  197.3599 1.895282  201.2190 1.858933  -3.859055      2.654755  
1 1 1 19 3  11 o 299.0857 1.750670  894.8388       7.404812  897.0211       14.80962  892.6564       14.80962  299.4505 2.472800  298.7209 2.478840  0.7296753      3.501341  
1 1 1 19 3  12 o 328.7847 1.971705  1081.608       9.167863  1083.218       18.33573  1079.997       18.33573  329.0296 2.786334  328.5397 2.790488  0.4898682      3.943410  
1 1 1 19 3  13 o 95.46973 1.578557  92.86513       2.072776  68.07281       4.145552  117.6574       4.145552  82.48535 2.512902  108.4541 1.911201  -25.96876      3.157113  
1 1 1 19 3  14 o 114.0425 1.595708  130.1322       2.573101  132.9817       5.146202  127.2827       5.146202  115.2918 2.231817  112.7932 2.281256  2.498604       3.191416  
1 1 1 19 3  15 o 270.2716 1.884926  732.2617       7.185624  793.5063       14.37125  671.0172       14.37125  281.6018 2.551697  258.9414 2.775000  22.66040       3.769851  
1 1 1 19 3  16 o 181.4478 1.634968  329.8335       4.188437  307.8858       8.376874  351.7810       8.376874  175.3998 2.387937  187.4957 2.233885  -12.09583      3.269936  
1 1 1 19 3  17 o 170.6650 2.004206  291.7610       4.836477  297.9174       9.672954  285.6047       9.672954  172.4686 2.804265  168.8613 2.864171  3.607300       4.008413  
1 1 1 19 3  18 o 113.8596 2.567003  130.6754       4.107431  113.8645       8.214863  147.4863       8.214863  106.4773 3.857567  121.2419 3.387800  -14.76462      5.134005  
1 1 1 19 3  19 o 107.0364 2.680077  115.1844       4.055017  119.2108       8.110033  111.1580       8.110033  108.9173 3.723024  105.1555 3.856208  3.761734       5.360154  
1 1 1 19 3  20 o 40.67797 7.930609  18.09748       4.712587  18.79317       9.425174  17.40179       9.425174  41.42579 11.13457  39.93015 11.29599  1.495640       15.86122  
1 1 1 19 3  21 o 107.6384 3.569248  117.4907       5.427337  123.7280       10.85467  111.2533       10.85467  110.5358 4.910029  104.7410 5.181674  5.794762       7.138497  
1 1 1 19 3  22 o 46.70713 9.816834  25.39746       6.966432  26.73166       13.93286  24.06326       13.93286  47.86961 13.79651  45.54465 13.96916  2.324955       19.63367  
1 1 1 19 3  23 o 73.30542 9.285571  64.58484       9.110683  41.64612       18.22137  87.52356       18.22137  57.28864 15.51939  89.32220 10.19980  -32.03357      18.57114  
1 1 1 19 4  0  o 516.2168 5.526872  2666.238       57.04660  2666.238       57.04660  2666.238       57.04660  516.2168 5.526872  516.2168 5.526872  0.000000       0.000000  
1 1 1 19 4  1  o 776.2113 4.106299  6029.257       45.05785  6226.743       90.11571  5831.771       90.11571  788.9324 5.711245  763.4902 5.901564  25.44220       8.212598  
1 1 1 19 4  2  o 636.3878 3.381876  4051.272       30.43407  4110.214       60.86814  3992.328       60.86814  641.0189 4.747765  631.7568 4.817371  9.262085       6.763752  
1 1 1 19 4  3  o 856.3737 4.515956  7340.957       54.65457  7025.452       109.3091  7656.462       109.3091  837.9526 6.522395  874.7946 6.247704  -36.84198      9.031912  
1 1 1 19 4  4  o 760.3297 4.291504  5784.604       46.13951  5679.845       92.27902  5889.362       92.27902  753.4406 6.123842  767.2187 6.013867  -13.77808      8.583009  
1 1 1 19 4  5  o 326.1352 1.948470  1066.031       8.958203  1164.119       17.91641  967.9434       17.91641  341.1731 2.625707  311.0973 2.879550  30.07574       3.896940  
1 1 1 19 4  6  o 272.8711 1.630316  744.7841       6.289802  763.8965       12.57960  725.6716       12.57960  276.3732 2.275837  269.3690 2.335014  7.004181       3.260632  
1 1 1 19 4  7  f 87.58303 0.9582697 76.93572       1.181720  68.63509       2.363441  85.23636       2.363441  82.84431 1.426435  92.32175 1.280002  -9.477448      1.916539  
1 1 1 19 4  8  o 335.9445 1.891297  1129.934       8.972499  1059.813       17.94500  1200.056       17.94500  325.5080 2.756461  346.3810 2.590355  -20.87305      3.782594  
1 1 1 19 4  9  o 651.3921 3.464287  4247.527       31.91122  4303.102       63.82244  4191.954       63.82244  655.6580 4.867053  647.1263 4.931220  8.531677       6.928574  
1 1 1 19 4  10 o 85.49377 1.230265  73.12849       1.486681  70.37907       2.973361  75.87789       2.973361  83.88582 1.772267  87.10173 1.706833  -3.215912      2.460530  
1 1 1 19 4  11 o 253.1962 1.564345  641.4645       5.598877  664.1364       11.19775  618.7927       11.19775  257.6733 2.172859  248.7191 2.251085  8.954254       3.128690  
1 1 1 19 4  12 o 318.7160 1.889189  1016.342       8.515059  1009.828       17.03012  1022.855       17.03012  317.6941 2.680269  319.7379 2.663137  -2.043762      3.778378  
1 1 1 19 4  13 o 158.8931 1.390613  253.5219       3.106781  222.1539       6.213562  284.8899       6.213562  149.0224 2.084775  168.7639 1.840904  -19.74156      2.781225  
1 1 1 19 4  14 o 84.77850 1.948327  71.94676       2.334851  69.40702       4.669702  74.48651       4.669702  83.28062 2.803594  86.27637 2.706246  -2.995750      3.896654  
1 1 1 19 4  15 o 27.18542 5.409154  6.961668       2.482566  12.80832       4.965132  1.115010       4.965132  35.03802 7.323169  19.33283 7.962850  15.70519       10.81831  
1 1 1 19 4  16 o 154.6912 1.803767  239.9178       3.935891  259.7402       7.871783  220.0954       7.871783  161.0983 2.443161  148.2841 2.654291  12.81419       3.607533  
1 1 1 19 4  17 o 206.6142 2.106994  427.8876       6.151618  447.6528       12.30324  408.1224       12.30324  211.3973 2.909979  201.8311 3.047904  9.566238       4.213989  
1 1 1 19 4  18 o 62.89126 4.187003  40.21185       3.688112  46.56360       7.376224  33.86010       7.376224  67.94105 5.428400  57.84146 6.376242  10.09958       8.374006  
1 1 1 19 4  19 o 47.81208 6.729267  24.43493       4.440981  17.24931       8.881963  31.62055       8.881963  40.01935 10.83259  55.60482 7.986685  -15.58547      13.45853  
1 1 1 19 4  20 o 42.39009 6.344280  18.55492       4.622052  -1.839291      9.244103  38.94913       9.244103  23.20202 10.23033  61.57816 7.505992  -38.37614      12.68856  
1 1 1 19 4  21 o 138.9505 3.505955  195.6462       6.885427  203.2178       13.77085  188.0746       13.77085  141.6750 4.860015  136.2259 5.054419  5.449127       7.011911  
1 1 1 19 4  22 o 40.56873 8.956656  16.85381       6.489933  3.421271       12.97987  30.28635       12.97987  29.88190 12.62453  51.25556 12.70858  -21.37366      17.91331  
1 1 1 19 4  23 o 46.32648 15.38717  26.86508       16.65845  26.86508       16.65845  ?              ?         46.32648 15.38717  ?        ?         ?              ?         
1 1 1 19 5  0  o 278.3161 3.545302  775.0370       19.72711  775.0370       19.72711  775.0370       19.72711  278.3161 3.545302  278.3161 3.545302  0.000000       0.000000  
1 1 1 19 5  1  o 200.5416 1.197344  402.8047       3.387916  434.4062       6.775833  371.2032       6.775833  208.4207 1.625518  192.6626 1.758471  15.75809       2.394688  
1 1 1 19 5  2  o 582.3474 3.117627  3394.363       25.65001  3219.359       51.30001  3569.368       51.30001  567.3216 4.521246  597.3731 4.293800  -30.05151      6.235253  
1 1 1 19 5  3  o 290.9485 1.696575  846.5790       6.980727  842.7097       13.96145  850.4481       13.96145  290.2836 2.404796  291.6134 2.393830  -1.329834      3.393150  
1 1 1 19 5  4  o 728.5762 3.875056  5310.762       39.92595  5263.974       79.85190  5357.549       79.85190  725.3653 5.504255  731.7871 5.455952  -6.421814      7.750112  
1 1 1 19 5  5  o 105.2395 1.054764  110.8578       1.567686  117.5240       3.135371  104.1915       3.135371  108.4067 1.446116  102.0723 1.535858  6.334343       2.109528  
1 1 1 19 5  6  o 465.2482 2.539722  2170.430       16.64892  1955.929       33.29784  2384.931       33.29784  442.1959 3.765055  488.3006 3.409563  -46.10471      5.079445  
1 1 1 19 5  7  o 179.9391 1.267601  324.1107       3.221142  304.2454       6.442283  343.9760       6.442283  174.4191 1.846783  185.4591 1.736847  -11.03999      2.535201  
1 1 1 19 5  8  o 428.8248 2.372211  1840.058       14.38078  1781.358       28.76155  1898.758       28.76155  421.9805 3.407924  435.6691 3.300848  -13.68860      4.744422  
1 1 1 19 5  9  o 202.1913 1.366614  408.9086       3.907302  402.0042       7.814603  415.8131       7.814603  200.4839 1.948935  203.8988 1.916295  -3.414841      2.733228  
1 1 1 19 5  10 o 180.6990 1.242485  326.6837       3.173491  314.5569       6.346982  338.8107       6.346982  177.3434 1.789461  184.0546 1.724212  -6.711136      2.484970  
1 1 1 19 5  11 o 194.5010 1.350721  380.5664       3.683347  323.1148       7.366693  438.0181       7.366693  179.7320 2.049355  209.2700 1.760093  -29.53796      2.701441  
1 1 1 19 5  12 o 170.1471 1.335639  289.7121       3.211612  302.2536       6.423223  277.1706       6.423223  173.8326 1.847531  166.4616 1.929340  7.370972       2.671278  
1 1 1 19 5  13 o 80.91670 1.702777  65.60456       1.944121  60.50599       3.888242  70.70310       3.888242  77.76620 2.499956  84.06719 2.312580  -6.300987      3.405555  
1 1 1 19 5  14 o 180.1424 1.500820  325.3019       3.812001  354.3636       7.624003  296.2402       7.624003  188.2088 2.025411  172.0761 2.215300  16.13264       3.001640  
1 1 1 19 5  15 o 248.0270 1.728081  615.5906       6.061082  607.5568       12.12216  623.6244       12.12216  246.4074 2.459780  249.6465 2.427866  -3.239059      3.456161  
1 1 1 19 5  16 o 97.88406 2.319345  97.17745       3.149666  118.8201       6.299332  75.53481       6.299332  108.9393 2.891212  86.82883 3.627443  22.11048       4.638690  
1 1 1 19 5  17 o 213.0975 1.853348  455.0481       5.579817  478.3871       11.15963  431.7092       11.15963  218.5736 2.552832  207.6214 2.687497  10.95222       3.706696  
1 1 1 19 5  18 o 106.1297 2.858625  113.2260       4.288502  109.2424       8.577003  117.2095       8.577003  104.2530 4.113553  108.0065 3.970598  -3.753464      5.717251  
1 1 1 19 5  19 o 128.7504 2.826486  166.8275       5.141437  175.3044       10.28287  158.3505       10.28287  132.0424 3.893777  125.4584 4.098121  6.584023       5.652972  
1 1 1 19 5  20 o 48.90735 6.702958  25.94543       4.493397  34.23178       8.986794  17.65910       8.986794  57.64932 7.794363  40.16538 10.90718  17.48394       13.40592  
1 1 1 19 5  21 o 42.61823 9.367280  20.08448       6.242152  21.15661       12.48430  19.01236       12.48430  43.58682 13.19406  41.64964 13.30040  1.937180       18.73456  
1 1 1 19 5  22 o 77.65006 6.905260  64.49430       7.581119  62.97426       15.16224  66.01434       15.16224  76.67129 9.887820  78.62884 9.641652  -1.957550      13.81052  
1 1 1 19 5  23 o 62.70382 8.887131  48.32188       7.914669  74.32450       15.82934  22.31927       15.82934  82.57338 9.585013  42.83427 14.96836  39.73911       17.77426  
1 1 1 19 6  0  o 550.0125 5.840639  3026.805       64.23222  3026.805       64.23222  3026.805       64.23222  550.0125 5.840639  550.0125 5.840639  0.000000       0.000000  
1 1 1 19 6  1  o 176.8436 1.299587  312.7794       3.249731  306.6660       6.499463  318.8930       6.499463  175.1151 1.855769  178.5721 1.819843  -3.457001      2.599175  
1 1 1 19 6  2  o 289.4861 1.640482  838.2592       6.713887  813.6909       13.42777  862.8275       13.42777  285.2426 2.353746  293.7295 2.285738  -8.486877      3.280963  
1 1 1 19 6  3  o 592.1917 3.136925  3508.881       26.25992  3628.015       52.51985  3389.746       52.51985  602.2505 4.360300  582.1329 4.510984  20.11755       6.273850  
1 1 1 19 6  4  o 505.4575 2.800545  2555.604       20.01777  2588.168       40.03555  2523.040       40.03555  508.6787 3.935249  502.2363 3.985729  6.442474       5.601090  
1 1 1 19 6  5  o 362.3299 2.004122  1313.882       10.25905  1381.832       20.51810  1245.934       20.51810  371.7066 2.759986  352.9532 2.906631  18.75333       4.008245  
1 1 1 19 6  6  o 455.1902 2.571095  2076.330       16.50597  2253.055       33.01193  1899.606       33.01193  474.6024 3.477851  435.7781 3.787700  38.82434       5.142190  
1 1 1 19 6  7  o 440.9833 2.431550  1946.232       15.15271  1858.675       30.30541  2033.789       30.30541  431.0558 3.515254  450.9107 3.360467  -19.85492      4.863101  
1 1 1 19 6  8  o 114.8550 1.211684  131.9381       1.967946  129.8463       3.935891  134.0300       3.935891  113.9444 1.727111  115.7656 1.699939  -1.821289      2.423367  
1 1 1 19 6  9  o 419.1680 2.334037  1758.152       13.83280  1714.429       27.66560  1801.876       27.66560  413.9525 3.341639  424.3835 3.259504  -10.43103      4.668075  
1 1 1 19 6  10 o 327.8693 1.873456  1075.380       8.686600  1067.141       17.37320  1083.619       17.37320  326.6129 2.659600  329.1257 2.639295  -2.512787      3.746912  
1 1 1 19 6  11 o 129.6848 1.184743  168.2093       2.172841  167.9758       4.345681  168.4428       4.345681  129.5948 1.676642  129.7748 1.674316  -0.1800232     2.369486  
1 1 1 19 6  12 o 145.6111 1.301781  212.4762       2.673166  194.1166       5.346332  230.8357       5.346332  139.3068 1.918905  151.9155 1.759641  -12.60861      2.603561  
1 1 1 19 6  13 o 239.4937 1.550705  574.2208       5.246267  542.8290       10.49253  605.6127       10.49253  232.9399 2.252197  246.0475 2.132217  -13.10757      3.101410  
1 1 1 19 6  14 o 253.6174 1.681929  643.5802       6.032492  640.0636       12.06498  647.0968       12.06498  252.9241 2.385099  254.3107 2.372095  -1.386566      3.363857  
1 1 1 19 6  15 o 207.6888 1.667381  432.6718       4.879362  475.4138       9.758724  389.9297       9.758724  217.9787 2.238458  197.3988 2.471829  20.57988       3.334762  
1 1 1 19 6  16 o 105.1390 2.200905  111.4296       3.240201  93.46075       6.480402  129.3984       6.480402  96.59373 3.354463  113.6843 2.850175  -17.09055      4.401809  
1 1 1 19 6  17 o 78.65562 2.804989  62.49776       3.087722  72.81876       6.175443  52.17677       6.175443  85.21650 3.623384  72.09476 4.282866  13.12174       5.609978  
1 1 1 19 6  18 o 139.0290 2.248006  194.7933       4.388567  221.4296       8.777133  168.1569       8.777133  148.6084 2.953107  129.4496 3.390174  19.15884       4.496012  
1 1 1 19 6  19 o 163.4019 2.318022  268.2362       5.351098  282.2215       10.70220  254.2510       10.70220  167.6814 3.191230  159.1225 3.362879  8.558838       4.636044  
1 1 1 19 6  20 o 99.30920 4.005018  100.3938       5.608407  109.0995       11.21681  91.68816       11.21681  103.6923 5.408701  94.92609 5.908184  8.766220       8.010036  
1 1 1 19 6  21 o 64.39951 7.037523  45.31040       5.989607  30.86768       11.97921  59.75313       11.97921  52.75335 11.66492  76.04566 7.876330  -23.29231      14.07505  
1 1 1 19 6  22 o 73.11840 6.959049  57.46116       7.180858  53.45379       14.36172  61.46852       14.36172  70.37807 10.20326  75.85873 9.466094  -5.480652      13.91810  
1 1 1 19 6  23 o 60.73856 8.798080  45.57725       7.805074  72.69487       15.61015  18.45962       15.61015  81.55672 9.570116  39.92040 14.76610  41.63633       17.59616  
1 1 1 19 7  0  o 549.3035 5.934130  3019.067       65.17570  3019.067       65.17570  3019.067       65.17570  549.3035 5.934130  549.3035 5.934130  0.000000       0.000000  
1 1 1 19 7  1  o 600.7454 3.185709  3609.879       27.06521  3612.425       54.13042  3607.335       54.13042  600.9572 4.503685  600.5336 4.506861  0.4235840      6.371418  
1 1 1 19 7  2  f 418.5403 2.272853  1752.134       13.45160  1721.547       26.90320  1782.721       26.90320  414.8863 3.242238  422.1942 3.186117  -7.307861      4.545706  
1 1 1 19 7  3  o 573.7423 3.046839  3292.803       24.72083  3327.715       49.44166  3257.889       49.44166  576.7849 4.285970  570.6998 4.331670  6.085144       6.093678  
1 1 1 19 7  4  o 357.1445 2.092131  1276.315       10.55925  1332.409       21.11849  1220.222       21.11849  364.9975 2.892963  349.2914 3.023048  15.70615       4.184263  
1 1 1 19 7  5  o 235.5274 1.482239  555.5325       4.927012  514.5058       9.854024  596.5592       9.854024  226.8179 2.172233  244.2369 2.017308  -17.41905      2.964478  
1 1 1 19 7  6  o 123.9501 1.044676  155.6059       1.796406  120.8786       3.592812  190.3332       3.592812  109.9415 1.633965  137.9587 1.302133  -28.01718      2.089352  
1 1 1 19 7  7  o 538.7591 2.908172  2905.260       22.14296  2781.942       44.28593  3028.578       44.28593  527.3145 4.199195  550.2037 4.024503  -22.88928      5.816345  
1 1 1 19 7  8  o 194.4278 1.354709  378.9511       3.711936  342.4511       7.423873  415.4510       7.423873  185.0413 2.006004  203.8143 1.821234  -18.77301      2.709418  
1 1 1 19 7  9  o 191.2002 1.236167  366.1428       3.335501  393.6082       6.671002  338.6773       6.671002  198.3826 1.681348  184.0179 1.812597  14.36475       2.472334  
1 1 1 19 7  10 o 407.7266 2.248589  1663.291       12.96557  1656.648       25.93114  1669.933       25.93114  406.9121 3.186332  408.5412 3.173626  -1.629120      4.497179  
1 1 1 19 7  11 o 78.55126 1.564592  61.80684       1.734461  66.40507       3.468921  57.20861       3.468921  81.47816 2.128743  75.62437 2.293521  5.853790       3.129183  
1 1 1 19 7  12 o 270.0826 1.696015  729.9363       6.475638  707.1548       12.95128  752.7178       12.95128  265.8651 2.435685  274.3001 2.360786  -8.435028      3.392031  
1 1 1 19 7  13 o 70.37254 2.044614  50.33748       1.987006  37.88176       3.974012  62.79320       3.974012  61.52271 3.229711  79.22239 2.508137  -17.69968      4.089228  
1 1 1 19 7  14 o 84.64892 1.941597  72.37562       2.291966  58.53328       4.583931  86.21795       4.583931  76.47260 2.997107  92.82523 2.469120  -16.35263      3.883195  
1 1 1 19 7  15 o 235.2462 1.715092  553.9363       5.703707  536.1675       11.40741  571.7049       11.40741  231.4696 2.464128  239.0228 2.386261  -7.553207      3.430185  
1 1 1 19 7  16 o 141.5324 1.813964  200.6876       3.626166  189.0276       7.252333  212.3475       7.252333  137.4132 2.638877  145.6516 2.489617  -8.238358      3.627928  
1 1 1 19 7  17 o 33.36248 6.562555  11.61707       3.264026  14.44749       6.528053  8.786663       6.528053  36.97004 8.918653  29.75493 9.629442  7.215103       13.12511  
1 1 1 19 7  18 o 92.57827 2.878942  86.42284       3.750056  76.42110       7.500113  96.42458       7.500113  87.17650 4.301683  97.98004 3.827368  -10.80354      5.757884  
1 1 1 19 7  19 o 71.98099 4.205099  52.73428       4.250381  45.61060       8.500763  59.85795       8.500763  67.03268 6.340761  76.92929 5.525050  -9.896614      8.410197  
1 1 1 19 7  20 o 51.42849 7.407744  28.86638       5.208147  25.18780       10.41630  32.54496       10.41630  47.85781 11.09039  54.99917 9.823541  -7.141365      14.81549  
1 1 1 19 7  21 o 35.43494 8.631406  12.82739       5.255797  12.01733       10.51159  13.63744       10.51159  34.68560 12.19032  36.18428 12.22296  -1.498688      17.26281  
1 1 1 19 7  22 o 83.69077 5.992677  74.07195       7.080793  69.37843       14.16159  78.76548       14.16159  80.88667 8.753968  86.49485 8.186376  -5.608177      11.98535  
1 1 1 19 7  23 o 47.43936 9.197672  27.44641       6.737713  38.28203       13.47543  16.61080       13.47543  56.81650 12.20965  38.06222 13.75911  18.75428       18.39534  
1 1 1 19 8  0  o 701.7980 7.416896  4928.642       104.0772  4928.642       104.0772  4928.642       104.0772  701.7980 7.416896  701.7980 7.416896  0.000000       0.000000  
1 1 1 19 8  1  o 323.6217 1.827663  1047.976       8.357814  1096.942       16.71563  999.0112       16.71563  331.1869 2.523594  316.0565 2.644405  15.13037       3.655325  
1 1 1 19 8  2  o 820.9327 4.247685  6745.108       49.28918  6495.555       98.57836  6994.661       98.57836  805.7334 6.117307  836.1321 5.894904  -30.39874      8.495371  
1 1 1 19 8  3  o 530.7352 3.016173  2817.603       22.63853  2824.855       45.27705  2810.351       45.27705  531.4185 4.260018  530.0520 4.271000  1.366455       6.032346  
1 1 1 19 8  4  o 432.4694 2.425478  1870.725       14.83345  1847.324       29.66690  1894.126       29.66690  429.7639 3.451535  435.1749 3.408618  -5.410980      4.850955  
1 1 1 19 8  5  o 339.4872 1.983392  1152.845       9.520474  1179.691       19.04095  1125.999       19.04095  343.4411 2.772084  335.5333 2.837416  7.907837       3.966784  
1 1 1 19 8  6  o 412.5957 2.248457  1704.131       13.10376  1801.104       26.20751  1607.159       26.20751  424.3472 3.087980  400.8441 3.269040  23.50308       4.496914  
1 1 1 19 8  7  o 394.9164 2.279822  1560.900       12.72255  1632.852       25.44511  1488.949       25.44511  404.0261 3.148944  385.8067 3.297651  18.21942       4.559643  
1 1 1 19 8  8  o 664.7034 3.573599  4422.852       33.58850  4506.320       67.17700  4339.382       67.17700  670.9821 5.005872  658.4247 5.101343  12.55731       7.147199  
1 1 1 19 8  9  o 286.0051 1.646166  818.3271       6.656708  838.8881       13.31342  797.7661       13.31342  289.5996 2.298590  282.4106 2.357103  7.189026       3.292332  
1 1 1 19 8  10 o 184.4335 1.296646  341.1027       3.368856  306.4182       6.737713  375.7871       6.737713  175.0306 1.924724  193.8365 1.737989  -18.80592      2.593293  
1 1 1 19 8  11 f 121.3592 1.257930  147.7627       2.149016  131.4283       4.298031  164.0971       4.298031  114.6294 1.874752  128.0890 1.677753  -13.45959      2.515859  
1 1 1 19 8  12 o 128.4996 1.313772  165.1740       2.387266  167.6328       4.774532  162.7153       4.774532  129.4563 1.844071  127.5429 1.871736  1.913422       2.627545  
1 1 1 19 8  13 o 65.30312 2.122888  42.77542       1.953651  38.64417       3.907302  46.90668       3.907302  62.13998 3.143952  68.46626 2.853451  -6.326279      4.245776  
1 1 1 19 8  14 o 91.56897 1.972528  83.92120       2.554041  82.32970       5.108082  85.51272       5.108082  90.69994 2.815923  92.43799 2.762978  -1.738045      3.945056  
1 1 1 19 8  15 o 55.10504 3.589139  31.54431       2.649341  43.05655       5.298682  20.03207       5.298682  65.55077 4.041663  44.65931 5.932338  20.89146       7.178278  
1 1 1 19 8  16 o 250.1518 1.880975  626.6074       6.651943  645.8007       13.30389  607.4139       13.30389  253.9882 2.618997  246.3154 2.700579  7.672714       3.761951  
1 1 1 19 8  17 o 117.2204 2.181723  137.6847       3.616637  138.9189       7.233273  136.4506       7.233273  117.7468 3.071536  116.6940 3.099247  1.052818       4.363447  
1 1 1 19 8  18 o 149.7906 2.189198  225.0511       4.636347  219.2568       9.272694  230.8453       9.272694  147.8565 3.135708  151.7247 3.055763  -3.868225      4.378397  
1 1 1 19 8  19 o 53.01317 6.778789  30.58655       4.822182  18.66928       9.644363  42.50382       9.644363  41.51054 11.31110  64.51580 7.474420  -23.00526      13.55758  
1 1 1 19 8  20 o 34.03320 7.927661  11.64090       4.564872  16.03900       9.129744  7.242803       9.129744  38.40425 11.20048  29.66214 11.22232  8.742117       15.85532  
1 1 1 19 8  21 o 83.45189 5.070142  71.69898       5.980077  68.89240       11.96015  74.50557       11.96015  81.77033 7.313261  85.13345 7.024357  -3.363113      10.14028  
1 1 1 19 8  22 o 61.43758 8.088098  42.62294       6.771068  41.06479       13.54214  44.18110       13.54214  60.16072 11.67149  62.71444 11.20025  -2.553719      16.17620  
1 1 1 19 8  23 f 77.32922 6.377059  65.36153       6.866368  77.52659       13.73274  53.19648       13.73274  85.19497 8.059593  69.46346 9.884863  15.73151       12.75412  
1 1 1 19 9  0  o 399.7943 4.337144  1599.135       34.67015  1599.135       34.67015  1599.135       34.67015  399.7943 4.337144  399.7943 4.337144  0.000000       0.000000  
1 1 1 19 9  1  o 106.8827 0.9977162 117.0475       1.453326  152.8517       2.906651  81.24328       2.906651  123.6320 1.175526  90.13334 1.612417  33.49863       1.995432  
1 1 1 19 9  2  o 245.6479 1.585645  603.4875       5.508343  598.1030       11.01669  608.8719       11.01669  244.5519 2.252423  246.7438 2.232413  -2.191940      3.171289  
1 1 1 19 9  3  o 216.9412 1.312399  470.6631       4.026426  468.6189       8.052853  472.7073       8.052853  216.4701 1.860038  217.4124 1.851977  -0.9422913     2.624797  
1 1 1 19 9  4  o 231.2820 1.596354  535.5386       5.212912  500.3347       10.42582  570.7424       10.42582  223.6714 2.330612  238.8925 2.182116  -15.22116      3.192708  
1 1 1 19 9  5  o 513.6182 2.791117  2639.196       20.27032  2583.441       40.54063  2694.951       40.54063  508.1904 3.988725  519.0458 3.905304  -10.85541      5.582233  
1 1 1 19 9  6  o 621.7821 3.339454  3869.320       29.35241  3999.590       58.70482  3739.049       58.70482  632.2577 4.642476  611.3066 4.801586  20.95111       6.678908  
1 1 1 19 9  7  o 554.1523 2.972448  3072.892       23.29133  3133.808       46.58265  3011.977       46.58265  559.6486 4.161777  548.6560 4.245161  10.99261       5.944896  
1 1 1 19 9  8  o 231.1974 1.453669  535.1384       4.745942  568.6744       9.491883  501.6022       9.491883  238.4501 1.990329  223.9447 2.119247  14.50539       2.907339  
1 1 1 19 9  9  o 201.4123 1.318471  405.7875       3.754822  396.6769       7.509643  414.8983       7.509643  199.1506 1.885418  203.6740 1.843545  -4.523422      2.636942  
1 1 1 19 9  10 o 243.8814 1.544672  594.9628       5.327272  602.3248       10.65454  587.6010       10.65454  245.3907 2.170935  242.3721 2.197973  3.018646       3.089344  
1 1 1 19 9  11 o 223.0409 1.471878  497.7331       4.641112  512.7905       9.282224  482.6756       9.282224  226.4164 2.049813  219.6654 2.112810  6.750931       2.943756  
1 1 1 19 9  12 o 194.8428 1.395051  381.2383       3.821531  428.7453       7.643063  333.7312       7.643063  207.0340 1.845848  182.6517 2.092250  24.38225       2.790101  
1 1 1 19 9  13 o 189.1979 1.544185  358.1233       4.131257  364.2939       8.262513  351.9526       8.262513  190.8287 2.164904  187.5672 2.202548  3.261490       3.088369  
1 1 1 19 9  14 o 103.7162 1.739968  107.7129       2.549276  101.8376       5.098552  113.5881       5.098552  100.8838 2.526942  106.5486 2.392595  -5.664749      3.479935  
1 1 1 19 9  15 o 137.5240 1.802678  189.4183       3.502276  179.3547       7.004553  199.4820       7.004553  133.8651 2.616274  141.1828 2.480667  -7.317764      3.605357  
1 1 1 19 9  16 o 221.3725 1.740406  491.2431       5.436867  528.4768       10.87373  454.0094       10.87373  229.7822 2.366096  212.9627 2.552967  16.81949       3.480812  
1 1 1 19 9  17 o 58.57119 3.980901  34.57009       3.292616  32.42107       6.585233  36.71910       6.585233  56.73666 5.803332  60.40572 5.450836  -3.669064      7.961801  
1 1 1 19 9  18 o 69.79356 3.998522  49.38448       3.921597  55.73146       7.843193  43.03750       7.843193  74.34053 5.275180  65.24659 6.010424  9.093941       7.997045  
1 1 1 19 9  19 o 134.8603 2.451059  182.7045       4.674467  180.6507       9.348933  184.7582       9.348933  134.0989 3.485836  135.6217 3.446695  -1.522842      4.902118  
1 1 1 19 9  20 o 145.2448 2.955201  214.3679       5.999137  177.0103       11.99827  251.7255       11.99827  132.3846 4.531599  158.1050 3.794400  -25.72046      5.910403  
1 1 1 19 9  21 o 55.29793 7.992564  33.92681       6.037257  30.96298       12.07451  36.89065       12.07451  52.61215 11.77166  57.98371 10.81446  -5.371555      15.98513  
1 1 1 19 9  22 o 45.03841 8.739539  22.67188       6.556643  6.909253       13.11329  38.43451       13.11329  31.88662 13.00455  58.19020 11.67904  -26.30358      17.47908  
1 1 1 19 9  23 o 67.49626 9.051011  54.29243       8.324459  53.58721       16.64892  54.99765       16.64892  66.97475 12.88917  68.01778 12.71033  -1.043022      18.10202  
1 1 1 19 10 0  o 546.4077 5.858264  2987.437       64.00350  2987.437       64.00350  2987.437       64.00350  546.4077 5.858264  546.4077 5.858264  0.000000       0.000000  
1 1 1 19 10 1  o 503.8183 2.757342  2539.765       19.63657  2631.740       39.27314  2447.791       39.27314  512.9460 3.828195  494.6906 3.969465  18.25537       5.514684  
1 1 1 19 10 2  o 588.8204 3.174879  3468.340       26.43623  3424.931       52.87246  3511.749       52.87246  585.1343 4.517977  592.5065 4.461761  -7.372253      6.349758  
1 1 1 19 10 3  o 154.4435 1.466495  238.5932       3.202081  231.7792       6.404162  245.4071       6.404162  152.2375 2.103346  156.6494 2.044106  -4.411942      2.932991  
1 1 1 19 10 4  o 189.2216 1.252003  358.1089       3.349797  365.6662       6.699593  350.5516       6.699593  191.2185 1.751816  187.2246 1.789186  3.993881       2.504006  
1 1 1 19 10 5  o 349.3510 1.980525  1220.875       9.782549  1251.899       19.56510  1189.849       19.56510  353.7914 2.765062  344.9106 2.836256  8.880737       3.961050  
1 1 1 19 10 6  o 341.7780 1.969763  1168.388       9.520474  1179.414       19.04095  1157.362       19.04095  343.3911 2.772488  340.1649 2.798782  3.226166       3.939527  
1 1 1 19 10 7  o 184.7256 1.252504  342.8276       3.249731  388.9194       6.499463  296.7357       6.499463  197.2013 1.647925  172.2498 1.886638  24.95152       2.505008  
1 1 1 19 10 8  o 155.8503 1.214081  243.6679       2.663636  216.7885       5.327272  270.5473       5.327272  147.2269 1.809205  164.4738 1.619490  -17.24692      2.428162  
1 1 1 19 10 9  o 385.9919 2.276621  1490.683       12.42712  1504.120       24.85425  1477.246       24.85425  387.7325 3.205077  384.2513 3.234114  3.481232       4.553242  
1 1 1 19 10 10 o 167.8470 1.289003  281.8165       3.059131  288.2350       6.118262  275.3981       6.118262  169.7590 1.802043  165.9350 1.843572  3.824005       2.578007  
1 1 1 19 10 11 o 261.8094 1.606640  685.8458       5.946723  706.0303       11.89345  665.6613       11.89345  265.6643 2.238435  257.9546 2.305337  7.709656       3.213280  
1 1 1 19 10 12 o 216.1141 1.521678  468.8286       4.626817  414.0882       9.253633  523.5688       9.253633  203.4494 2.274185  228.7788 2.022398  -25.32938      3.043355  
1 1 1 19 10 13 o 384.4127 2.199856  1479.647       11.95062  1544.756       23.90125  1414.538       23.90125  392.8813 3.041790  375.9440 3.178831  16.93729       4.399711  
1 1 1 19 10 14 o 192.6708 1.540734  371.6749       4.193202  392.5027       8.386403  350.8471       8.386403  198.0758 2.116968  187.2658 2.239172  10.81006       3.081468  
1 1 1 19 10 15 o 224.1103 1.726473  502.7315       5.470222  517.0027       10.94044  488.4603       10.94044  227.2943 2.406670  220.9263 2.476039  6.367920       3.452945  
1 1 1 19 10 16 o 38.73023 5.642616  15.76739       3.044836  21.18520       6.089673  10.34958       6.089673  45.85755 6.639771  31.60292 9.125235  14.25463       11.28523  
1 1 1 19 10 17 o 202.0015 1.886561  408.7038       5.389217  404.8250       10.77843  412.5824       10.77843  201.0414 2.680650  202.9616 2.655289  -1.920135      3.773122  
1 1 1 19 10 18 o 72.35404 4.083802  53.25843       4.136022  61.91644       8.272044  44.60041       8.272044  78.33713 5.279772  66.37096 6.231675  11.96617       8.167604  
1 1 1 19 10 19 o 80.92604 4.221818  66.99594       4.760237  80.04250       9.520474  53.94935       9.520474  88.98685 5.349372  72.86524 6.532932  16.12160       8.443636  
1 1 1 19 10 20 o 61.59455 6.527395  40.36433       5.451162  48.45053       10.90232  32.27813       10.90232  68.56111 7.950808  54.62799 10.35433  13.93312       13.05479  
1 1 1 19 10 21 o 54.16510 7.246986  32.42584       5.351098  22.23350       10.70220  42.61818       10.70220  44.43535 11.82950  63.89485 8.374850  -19.45950      14.49397  
1 1 1 19 10 22 o 78.52149 5.715575  64.94698       6.323157  71.11288       12.64631  58.78106       12.64631  82.44775 7.669291  74.59523 8.476624  7.852524       11.43115  
1 1 1 19 10 23 o 52.88541 14.80730  35.65174       16.27725  35.65174       16.27725  ?              ?         52.88541 14.80730  ?        ?         ?              ?         
1 1 1 19 11 0  o 205.9344 2.592427  424.3139       10.67360  424.3139       10.67360  424.3139       10.67360  205.9344 2.592427  205.9344 2.592427  0.000000       0.000000  
1 1 1 19 11 1  o 754.5712 3.982006  5696.970       42.48952  5780.824       84.97904  5613.115       84.97904  760.1276 5.589788  749.0148 5.672721  11.11285       7.964013  
1 1 1 19 11 2  o 532.8843 2.908554  2842.924       21.89042  2674.805       43.78084  3011.043       43.78084  517.1099 4.233224  548.6587 3.989806  -31.54883      5.817108  
1 1 1 19 11 3  o 1017.945 5.372123  10372.79       77.33598  10324.90       154.6720  10420.68       154.6720  1015.592 7.614864  1020.297 7.579753  -4.704346      10.74425  
1 1 1 19 11 4  f 257.4614 1.520180  663.1595       5.532167  687.9042       11.06433  638.4149       11.06433  262.2669 2.109365  252.6559 2.189605  9.611008       3.040361  
1 1 1 19 11 5  o 238.8803 1.450265  570.7709       4.898422  557.6100       9.796844  583.9319       9.796844  236.1256 2.074498  241.6350 2.027199  -5.509415      2.900531  
1 1 1 19 11 6  o 84.23048 1.208948  70.98900       1.439031  74.14342       2.878061  67.83456       2.878061  86.10299 1.671290  82.35799 1.747287  3.745003       2.417896  
1 1 1 19 11 7  o 280.2469 1.691502  786.2540       6.694828  833.4846       13.38966  739.0232       13.38966  288.6736 2.319169  271.8203 2.462960  16.85324       3.383004  
1 1 1 19 11 8  o 133.4091 1.281285  178.3159       2.411091  163.4777       4.822182  193.1541       4.822182  127.8479 1.885906  138.9702 1.734969  -11.12234      2.562569  
1 1 1 19 11 9  o 124.7424 1.359427  155.6965       2.396796  149.5544       4.793592  161.8385       4.793592  122.2805 1.960081  127.2043 1.884210  -4.923805      2.718853  
1 1 1 19 11 10 o 317.8409 1.889038  1011.019       8.486469  972.3654       16.97294  1049.673       16.97294  311.7602 2.722114  323.9216 2.619915  -12.16135      3.778076  
1 1 1 19 11 11 o 127.6351 1.346339  163.5920       2.415856  143.1407       4.831712  184.0434       4.831712  119.6235 2.019550  135.6468 1.780990  -16.02333      2.692677  
1 1 1 19 11 12 o 194.8159 1.402737  379.6706       3.864417  374.3766       7.728833  384.9645       7.728833  193.4572 1.997556  196.1746 1.969886  -2.717392      2.805474  
1 1 1 19 11 13 o 66.00268 2.548347  45.46765       2.230021  63.46983       4.460042  27.46547       4.460042  79.64014 2.800122  52.36522 4.258592  27.27492       5.096694  
1 1 1 19 11 14 o 335.6769 2.012001  1127.833       9.549064  1156.294       19.09813  1099.372       19.09813  339.9164 2.809239  331.4376 2.881105  8.478790       4.024002  
1 1 1 19 11 15 o 252.8645 1.736542  639.9684       6.208797  654.1966       12.41759  625.7401       12.41759  255.6780 2.428366  250.0511 2.483011  5.626862       3.473083  
1 1 1 19 11 16 o 126.7292 2.079956  160.8951       3.726231  166.1747       7.452463  155.6154       7.452463  128.8122 2.892762  124.6462 2.989447  4.166069       4.159912  
1 1 1 19 11 17 o 119.0818 2.432044  142.4926       4.083606  129.8844       8.167212  155.1008       8.167212  113.7879 3.588789  124.3757 3.283283  -10.58783      4.864089  
1 1 1 19 11 18 o 133.5780 2.552697  179.2308       4.822182  178.1920       9.644363  180.2695       9.644363  133.1891 3.620552  133.9668 3.599535  -0.7776489     5.105394  
1 1 1 19 11 19 o 32.17596 7.783364  9.277459       4.531517  3.259262       9.063033  15.29566       9.063033  26.51426 10.81201  37.83766 11.19927  -11.32341      15.56673  
1 1 1 19 11 20 o 82.51270 4.521786  69.58332       5.260562  63.46983       10.52112  75.69682       10.52112  78.80811 6.675154  86.21728 6.101518  -7.409164      9.043572  
1 1 1 19 11 21 o 85.32264 4.572987  74.78194       5.517872  74.28638       11.03574  75.27750       11.03574  85.03223 6.489154  85.61304 6.445131  -0.5808105     9.145973  
1 1 1 19 11 22 o 34.34187 9.167140  7.476287       6.952137  21.84277       13.90427  -6.890193      13.90427  43.08912 14.05776  25.59463 11.76968  17.49449       18.33428  
1 1 1 19 11 23 o 26.45057 12.32607  -8.272044      15.90558  -8.272044      15.90558  ?              ?         26.45057 12.32607  ?        ?         ?              ?         
1 1 1 19 12 0  o 342.5231 3.854574  1173.811       26.39811  1173.811       26.39811  1173.811       26.39811  342.5231 3.854574  342.5231 3.854574  0.000000       0.000000  
1 1 1 19 12 1  o 445.2605 2.404921  1982.994       15.14318  2000.700       30.28635  1965.287       30.28635  447.2488 3.385850  443.2721 3.416226  3.976746       4.809842  
1 1 1 19 12 2  o 693.6580 3.642607  4813.948       35.73275  4843.853       71.46550  4784.043       71.46550  695.8136 5.135391  691.5024 5.167408  4.311157       7.285214  
1 1 1 19 12 3  o 375.5350 2.116552  1410.531       11.24064  1417.007       22.48128  1404.055       22.48128  376.3972 2.986377  374.6729 3.000121  1.724365       4.233105  
1 1 1 19 12 4  o 132.5603 1.048439  176.4385       1.953651  198.7387       3.907302  154.1383       3.907302  140.9716 1.385847  124.1489 1.573635  16.82269       2.096879  
1 1 1 19 12 5  o 193.9646 1.248780  376.9117       3.416506  345.4245       6.833013  408.3987       6.833013  185.8478 1.838335  202.0813 1.690660  -16.23346      2.497560  
1 1 1 19 12 6  o 307.0314 1.739394  942.8748       7.552527  938.6291       15.10505  947.1204       15.10505  306.3400 2.465407  307.7228 2.454329  -1.382813      3.478788  
1 1 1 19 12 7  o 788.0013 4.169477  6218.108       46.46353  6166.627       92.92706  6269.589       92.92706  784.7347 5.920922  791.2678 5.872036  -6.533081      8.338953  
1 1 1 19 12 8  o 250.9827 1.612768  630.5480       5.718002  664.9656       11.43600  596.1303       11.43600  257.8392 2.217662  244.1261 2.342233  13.71315       3.225536  
1 1 1 19 12 9  o 224.1754 1.459744  502.7363       4.626817  490.4426       9.253633  515.0300       9.253633  221.4334 2.089484  226.9174 2.038987  -5.483963      2.919489  
1 1 1 19 12 10 o 197.7604 1.361117  392.7791       3.783412  442.8021       7.566823  342.7561       7.566823  210.4078 1.798133  185.1131 2.043838  25.29474       2.722234  
1 1 1 19 12 11 o 350.5322 2.062011  1229.585       10.22093  1249.650       20.44186  1209.520       20.44186  353.3943 2.892217  347.6700 2.939836  5.724243       4.124022  
1 1 1 19 12 12 o 124.7501 1.521565  155.7489       2.682696  149.3542       5.365392  162.1435       5.365392  122.1871 2.195563  127.3131 2.107164  -5.125954      3.043129  
1 1 1 19 12 13 o 118.6826 1.595509  140.9249       2.677931  141.4252       5.355862  140.4246       5.355862  118.8934 2.252380  118.4718 2.260395  0.4215622      3.191019  
1 1 1 19 12 14 o 245.0450 1.682613  601.0574       5.827598  624.8442       11.65520  577.2704       11.65520  249.8986 2.331985  240.1914 2.426231  9.707184       3.365227  
1 1 1 19 12 15 o 116.2870 2.013605  136.0170       3.287851  117.3429       6.575703  154.6910       6.575703  108.2577 3.037060  124.3163 2.644748  -16.05858      4.027211  
1 1 1 19 12 16 o 112.0843 2.221843  125.8818       3.521337  128.4073       7.042673  123.3564       7.042673  113.2109 3.110421  110.9578 3.173583  2.253159       4.443686  
1 1 1 19 12 17 o 127.0009 2.281029  161.8481       4.093137  169.8056       8.186274  153.8905       8.186274  130.1338 3.145330  123.8680 3.304433  6.265732       4.562059  
1 1 1 19 12 18 o 68.48789 4.196330  47.98357       3.997837  38.14860       7.995674  57.81853       7.995674  61.30782 6.520926  75.66797 5.283394  -14.36015      8.392659  
1 1 1 19 12 19 o 37.97476 6.434995  13.85663       4.321856  29.02839       8.643713  -1.315140      8.643713  53.15182 8.131155  22.79770 9.976019  30.35412       12.86999  
1 1 1 19 12 20 f 84.52051 4.274550  72.76634       5.108082  70.91276       10.21616  74.61993       10.21616  83.42398 6.123038  85.61704 5.966198  -2.193062      8.549100  
1 1 1 19 12 21 o 42.05375 9.581096  19.69852       6.609057  14.67621       13.21811  24.72083       13.21811  37.80267 13.63088  46.30483 13.46806  -8.502163      19.16219  
1 1 1 19 12 22 o 73.38702 6.609083  58.37127       6.775833  48.65067       13.55167  68.09187       13.55167  66.76419 10.14890  80.00986 8.468747  -13.24567      13.21817  
1 1 1 19 12 23 f 57.01271 9.203237  40.05460       7.271393  36.75723       14.54279  43.35199       14.54279  54.20794 13.45891  59.81748 12.55611  -5.609539      18.40647  
1 1 1 19 13 0  o 211.0740 2.773287  445.7850       11.70285  445.7850       11.70285  445.7850       11.70285  211.0740 2.773287  211.0740 2.773287  0.000000       0.000000  
1 1 1 19 13 1  o 253.1630 1.498358  641.6599       5.355862  599.6088       10.71172  683.7110       10.71172  244.8578 2.187336  261.4681 2.048381  -16.61031      2.996715  
1 1 1 19 13 2  o 166.7605 1.195314  279.8676       2.792291  235.6103       5.584582  324.1250       5.584582  153.4907 1.819192  180.0302 1.551013  -26.53947      2.390627  
1 1 1 19 13 3  o 44.84450 1.913095  21.29003       1.110245  31.02016       2.220491  11.55990       2.220491  55.69324 1.993501  33.99575 3.265836  21.69749       3.826190  
1 1 1 19 13 4  o 233.6820 1.444162  546.3456       4.769767  568.1216       9.539534  524.5695       9.539534  238.3414 2.001234  229.0227 2.082661  9.318680       2.888324  
1 1 1 19 13 5  o 684.2874 3.677323  4689.758       35.54692  4944.862       71.09383  4434.654       71.09383  702.9275 5.056982  665.6473 5.340203  37.28021       7.354647  
1 1 1 19 13 6  o 175.7183 1.214213  309.8538       3.001951  345.9201       6.003902  273.7874       6.003902  185.9808 1.614119  165.4557 1.814353  20.52509       2.428427  
1 1 1 19 13 7  o 148.0855 1.206468  219.3902       2.525451  227.1572       5.050902  211.6233       5.050902  150.7080 1.675725  145.4630 1.736146  5.244919       2.412935  
1 1 1 19 13 8  o 346.4075 1.983257  1200.442       9.715838  1197.483       19.43168  1203.401       19.43168  345.9804 2.808205  346.8346 2.801289  -0.8541870     3.966514  
1 1 1 19 13 9  o 367.1740 2.169495  1348.958       11.26446  1368.709       22.52893  1329.207       22.52893  369.8636 3.045573  364.4844 3.090521  5.379211       4.338990  
1 1 1 19 13 10 o 301.0520 1.891908  907.9807       8.038558  974.5287       16.07712  841.4326       16.07712  312.1046 2.575598  289.9994 2.771922  22.10516       3.783815  
1 1 1 19 13 11 o 272.8387 1.723455  744.9604       6.647178  769.9671       13.29436  719.9537       13.29436  277.4214 2.396058  268.2561 2.477923  9.165375       3.446911  
1 1 1 19 13 12 o 99.74899 1.729649  99.81249       2.430151  110.1192       4.860302  89.50580       4.860302  104.9153 2.316298  94.58266 2.569341  10.33264       3.459299  
1 1 1 19 13 13 o 75.47867 2.280635  57.17050       2.425386  51.50014       4.850772  62.84084       4.850772  71.72240 3.381630  79.23492 3.061006  -7.512520      4.561269  
1 1 1 19 13 14 o 184.7749 1.626485  342.1271       4.240851  368.2679       8.481703  315.9863       8.481703  191.8486 2.210520  177.7012 2.386507  14.14738       3.252970  
1 1 1 19 13 15 o 139.1183 1.881256  193.8689       3.697641  184.0148       7.395282  203.7229       7.395282  135.5766 2.727344  142.6599 2.591929  -7.083206      3.762512  
1 1 1 19 13 16 o 107.4598 2.383352  115.7609       3.621402  118.2006       7.242803  113.3213       7.242803  108.5950 3.334778  106.3247 3.405984  2.270317       4.766704  
1 1 1 19 13 17 o 134.8844 2.295361  183.4144       4.345681  157.6453       8.691362  209.1836       8.691362  125.3321 3.467332  144.4367 3.008709  -19.10458      4.590722  
1 1 1 19 13 18 o 73.08226 3.886670  54.06371       4.007367  58.34269       8.014733  49.78474       8.014733  76.00977 5.272173  70.15476 5.712181  5.855003       7.773340  
1 1 1 19 13 19 o 108.0597 3.203091  117.8861       4.893657  120.9834       9.787313  114.7889       9.787313  109.4928 4.469385  106.6266 4.589527  2.866241       6.406181  
1 1 1 19 13 20 o 39.23887 8.737695  16.67274       5.417807  15.44814       10.83561  17.89735       10.83561  38.06547 12.40991  40.41227 12.30380  -2.346806      17.47539  
1 1 1 19 13 21 f 84.22403 5.972716  74.98683       6.990257  59.64830       13.98051  90.32537       13.98051  75.11823 9.305675  93.32983 7.489843  -18.21160      11.94543  
1 1 1 19 13 22 o 58.00890 9.543345  40.42627       7.705008  35.38490       15.41002  45.46765       15.41002  53.83050 14.13307  62.18731 12.82802  -8.356812      19.08669  
1 1 1 19 13 23 o 37.72745 14.26137  17.54474       14.73339  17.54474       14.73339  ?              ?         37.72745 14.26137  ?        ?         ?              ?         
1 1 1 19 14 0  o 82.36662 2.562477  68.04423       4.212262  68.04423       4.212262  68.04423       4.212262  82.36662 2.562477  82.36662 2.562477  0.000000       0.000000  
1 1 1 19 14 1  o 347.2654 2.037693  1206.980       9.996975  1143.839       19.99395  1270.121       19.99395  338.1742 2.956161  356.3565 2.805329  -18.18237      4.075385  
1 1 1 19 14 2  o 589.0620 3.175902  3473.787       26.43147  3297.210       52.86293  3650.363       52.86293  574.0740 4.604192  604.0499 4.375709  -29.97595      6.351804  
1 1 1 19 14 3  o 251.2402 1.525634  633.7357       5.389217  555.1036       10.77843  712.3678       10.77843  235.5915 2.287527  266.8890 2.019273  -31.29758      3.051269  
1 1 1 19 14 4  o 753.1260 4.167852  5678.753       44.37646  5846.381       88.75292  5511.125       88.75292  764.2548 5.806501  741.9972 5.980678  22.25757       8.335704  
1 1 1 19 14 5  o 263.2820 1.585693  693.3125       5.903837  685.4455       11.80767  701.1796       11.80767  261.7880 2.255198  264.7760 2.229748  -2.988037      3.171386  
1 1 1 19 14 6  o 421.9108 2.341785  1781.401       13.96622  1718.431       27.93244  1844.370       27.93244  414.4484 3.369833  429.3732 3.252700  -14.92484      4.683570  
1 1 1 19 14 7  o 365.5067 2.046759  1337.002       10.57354  1390.046       21.14708  1283.958       21.14708  372.7630 2.836532  358.2505 2.951437  14.51248       4.093519  
1 1 1 19 14 8  o 415.1732 2.333405  1724.735       13.69938  1749.499       27.39876  1699.972       27.39876  418.1555 3.276145  412.1909 3.323552  5.964661       4.666811  
1 1 1 19 14 9  o 348.6628 2.008523  1217.172       9.892144  1149.347       19.78429  1284.997       19.78429  338.9363 2.918585  358.3893 2.760168  -19.45291      4.017046  
1 1 1 19 14 10 o 195.0903 1.522801  380.9381       4.197967  398.7068       8.395933  363.1694       8.395933  199.6443 2.102723  190.5364 2.203237  9.107925       3.045603  
1 1 1 19 14 11 o 142.5483 1.385138  203.2655       2.792291  201.7311       5.584582  204.7998       5.584582  142.0101 1.966262  143.0865 1.951471  -1.076340      2.770275  
1 1 1 19 14 12 o 200.1786 1.482915  400.8653       4.197967  403.9959       8.395933  397.7347       8.395933  200.9606 2.088950  199.3967 2.105335  1.563934       2.965830  
1 1 1 19 14 13 o 262.3412 1.733618  688.9001       6.427987  661.4014       12.85597  716.3989       12.85597  257.1002 2.500188  267.5823 2.402247  -10.48209      3.467237  
1 1 1 19 14 14 o 144.3485 1.693215  208.7834       3.449862  223.7264       6.899723  193.8403       6.899723  149.5245 2.307221  139.1725 2.478839  10.35207       3.386431  
1 1 1 19 14 15 o 146.0041 1.753893  213.3815       3.621402  214.7396       7.242803  212.0235       7.242803  146.4692 2.472467  145.5391 2.488268  0.9301147      3.507787  
1 1 1 19 14 16 o 184.6526 1.827562  341.5744       4.769767  354.8116       9.539534  328.3372       9.539534  188.2370 2.533916  181.0683 2.634237  7.168686       3.655125  
1 1 1 19 14 17 o 95.77708 2.693327  92.49821       3.626166  80.87160       7.252333  104.1248       7.252333  89.70747 4.042212  101.8467 3.560416  -12.13924      5.386654  
1 1 1 19 14 18 o 92.92864 3.412580  87.10900       4.483867  85.02670       8.967733  89.19131       8.967733  91.80827 4.883947  94.04902 4.767585  -2.240753      6.825160  
1 1 1 19 14 19 o 37.22704 8.220483  14.74292       4.874598  11.43600       9.749194  18.04983       9.749194  33.89505 11.75633  40.55903 11.49322  -6.663982      16.44097  
1 1 1 19 14 20 o 101.8761 3.908152  105.8355       5.598877  118.5818       11.19775  93.08907       11.19775  108.1320 5.177820  95.62031 5.855322  12.51164       7.816305  
1 1 1 19 14 21 o 120.4180 3.774874  147.8675       6.427987  145.7805       12.85597  149.9546       12.85597  119.5514 5.376758  121.2845 5.299923  -1.733192      7.549749  
1 1 1 19 14 22 o 41.59235 9.899569  20.41803       6.918783  22.69094       13.83757  18.14513       13.83757  43.44588 14.01570  39.73882 13.98449  3.707062       19.79914  
1 1 1 19 14 23 o 59.33189 8.579825  47.15446       7.385753  72.10400       14.77151  22.20491       14.77151  79.08673 9.338802  39.57705 14.39585  39.50969       17.15965  
1 1 1 19 15 0  o 524.7250 5.606198  2755.324       58.81918  2755.324       58.81918  2755.324       58.81918  524.7250 5.606198  524.7250 5.606198  0.000000       0.000000  
1 1 1 19 15 1  o 565.1370 2.936917  3195.124       23.47240  3208.733       46.94480  3181.516       46.94480  566.3411 4.144570  563.9330 4.162268  2.408081       5.873835  
1 1 1 19 15 2  o 120.3859 1.158873  144.9514       1.972711  142.1019       3.945422  147.8008       3.945422  119.2024 1.654925  121.5694 1.622704  -2.366959      2.317746  
1 1 1 19 15 3  o 313.5316 1.782670  985.1070       7.881313  898.3649       15.76263  1071.849       15.76263  299.6985 2.629748  327.3646 2.407503  -27.66617      3.565339  
1 1 1 19 15 4  o 543.1107 3.069846  2951.614       23.57723  2989.696       47.15446  2913.532       47.15446  546.6166 4.313303  539.6048 4.369351  7.011841       6.139691  
1 1 1 19 15 5  o 498.5609 2.739265  2489.523       19.28396  2649.064       38.56792  2329.981       38.56792  514.5612 3.747652  482.5607 3.996174  32.00046       5.478531  
1 1 1 19 15 6  o 302.7514 1.793730  919.7834       7.643063  815.9589       15.28613  1023.608       15.28613  285.6046 2.676100  319.8983 2.389217  -34.29370      3.587460  
1 1 1 19 15 7  o 166.8119 1.228500  278.3666       2.897121  269.9088       5.794242  286.8245       5.794242  164.2767 1.763562  169.3470 1.710760  -5.070313      2.457000  
1 1 1 19 15 8  o 209.6940 1.451001  439.8287       4.302797  435.2448       8.605594  444.4127       8.605594  208.6010 2.062693  210.7870 2.041301  -2.186005      2.902002  
1 1 1 19 15 9  o 400.9129 2.298936  1609.308       13.02275  1530.728       26.04550  1687.888       26.04550  391.1128 3.329666  410.7130 3.170766  -19.60019      4.597873  
1 1 1 19 15 10 o 366.8539 2.209015  1347.219       11.45506  1298.978       22.91013  1395.459       22.91013  360.2790 3.179498  373.4289 3.067536  -13.14987      4.418029  
1 1 1 19 15 11 o 240.1504 1.567359  577.3372       5.317742  607.2900       10.63548  547.3843       10.63548  246.3866 2.158292  233.9141 2.273374  12.47255       3.134717  
1 1 1 19 15 12 o 214.9146 1.548972  462.0813       4.707822  464.5114       9.415645  459.6512       9.415645  215.4799 2.184807  214.3492 2.196333  1.130753       3.097945  
1 1 1 19 15 13 o 157.8391 1.563471  249.3382       3.487981  239.6700       6.975962  259.0064       6.975962  154.7765 2.253561  160.9018 2.167770  -6.125351      3.126941  
1 1 1 19 15 14 o 76.96303 2.715368  60.70612       2.854236  78.72736       5.708472  42.68488       5.708472  88.67075 3.218915  65.25530 4.373953  23.41544       5.430735  
1 1 1 19 15 15 o 22.99635 5.930482  1.248431       3.054366  9.282224       6.108732  -6.785362      6.108732  30.20710 9.246546  15.78561 7.428584  14.42149       11.86096  
1 1 1 19 15 16 o 85.62598 3.015462  73.68598       3.645226  78.66065       7.290452  68.71133       7.290452  88.53087 4.117464  82.72110 4.406646  5.809769       6.030924  
1 1 1 19 15 17 o 70.94960 3.802969  51.46679       3.735762  63.42217       7.471523  39.51140       7.471523  79.37487 4.706479  62.52433 5.974892  16.85054       7.605937  
1 1 1 19 15 18 o 102.1025 3.152564  106.0594       4.483867  126.9682       8.967733  85.15058       8.967733  112.3416 3.991278  91.86334 4.881019  20.47828       6.305129  
1 1 1 19 15 19 o 65.78191 5.614431  46.86379       4.731647  65.24240       9.463295  28.48518       9.463295  80.07876 5.908742  51.48505 9.548514  28.59371       11.22886  
1 1 1 19 15 20 f 70.44423 5.474708  51.42390       5.422573  57.58981       10.84515  45.25799       10.84515  74.82068 7.247425  66.06778 8.207590  8.752899       10.94942  
1 1 1 19 15 21 f 43.80355 8.483949  21.45204       6.065848  35.09900       12.13170  7.805074       12.13170  55.79736 11.26579  31.80974 12.68824  23.98762       16.96790  
1 1 1 19 15 22 o 37.64388 8.859708  11.53130       6.928313  31.24888       13.85663  -8.186274      13.85663  50.54282 13.46270  24.74494 11.52100  25.79788       17.71942  
1 1 1 19 16 0  o 345.0179 3.948311  1191.088       27.23675  1191.088       27.23675  1191.088       27.23675  345.0179 3.948311  345.0179 3.948311  0.000000       0.000000  
1 1 1 19 16 1  o 305.2260 1.765812  932.0296       7.619238  901.9863       15.23848  962.0729       15.23848  300.3044 2.537171  310.1474 2.456650  -9.842987      3.531624  
1 1 1 19 16 2  o 484.3872 2.642173  2347.869       18.09271  2273.144       36.18542  2422.594       36.18542  476.6739 3.795617  492.1006 3.676630  -15.42670      5.284346  
1 1 1 19 16 3  o 207.1023 1.321698  429.1027       3.869182  413.5831       7.738363  444.6223       7.738363  203.3555 1.902669  210.8492 1.835047  -7.493698      2.643397  
1 1 1 19 16 4  o 181.8872 1.406534  331.5393       3.607106  301.8914       7.214212  361.1871       7.214212  173.7371 2.076186  190.0373 1.898105  -16.30013      2.813068  
1 1 1 19 16 5  o 274.9478 1.670557  756.2154       6.494698  740.8339       12.98940  771.5967       12.98940  272.1506 2.386435  277.7449 2.338368  -5.594299      3.341113  
1 1 1 19 16 6  o 185.4969 1.306379  344.5335       3.421271  321.4470       6.842543  367.6199       6.842543  179.2741 1.908403  191.7198 1.784517  -12.44572      2.612757  
1 1 1 19 16 7  o 262.2208 1.641306  688.9859       6.070612  631.4866       12.14122  746.4852       12.14122  251.2569 2.416098  273.1847 2.222164  -21.92780      3.282612  
1 1 1 19 16 8  o 422.0974 2.364031  1784.627       14.09011  1898.596       28.18022  1670.657       28.18022  435.5978 3.234661  408.5971 3.448412  27.00070       4.728063  
1 1 1 19 16 9  f 185.7343 1.351772  345.7247       3.540397  315.4050       7.080793  376.0444       7.080793  177.5721 1.993779  193.8964 1.825922  -16.32423      2.703543  
1 1 1 19 16 10 o 286.7661 1.784346  825.8749       7.195153  927.3551       14.39031  724.3947       14.39031  304.4600 2.363251  269.0721 2.674061  35.38782       3.568691  
1 1 1 19 16 11 o 133.7718 1.525930  179.1784       2.882826  189.9997       5.765652  168.3570       5.765652  137.8165 2.091787  129.7271 2.222224  8.089386       3.051861  
1 1 1 19 16 12 o 56.84844 2.592298  32.37819       2.082306  30.82956       4.164612  33.92681       4.164612  55.48638 3.752824  58.21051 3.577199  -2.724133      5.184597  
1 1 1 19 16 13 o 198.8390 1.601650  398.4257       4.455277  331.2343       8.910554  465.6169       8.910554  181.9431 2.448720  215.7349 2.065163  -33.79181      3.203300  
1 1 1 19 16 14 o 223.5902 1.712487  500.4206       5.413042  515.7733       10.82608  485.0677       10.82608  227.0235 2.384354  220.1570 2.458719  6.866516       3.424973  
1 1 1 19 16 15 o 77.47823 2.884766  60.22963       3.159196  62.47870       6.318392  57.98055       6.318392  78.92965 4.002547  76.02679 4.155373  2.902855       5.769533  
1 1 1 19 16 16 o 191.3538 1.932229  367.5532       5.212912  400.6414       10.42582  334.4650       10.42582  199.9996 2.606461  182.7080 2.853138  17.29161       3.864458  
1 1 1 19 16 17 o 86.21542 3.239743  75.13454       3.926362  84.55973       7.852723  65.70938       7.852723  91.68149 4.282611  80.74937 4.862405  10.93212       6.479486  
1 1 1 19 16 18 o 186.9179 2.239415  351.1378       5.908603  375.8633       11.81721  326.4122       11.81721  193.5320 3.053037  180.3039 3.277024  13.22806       4.478830  
1 1 1 19 16 19 f 89.70169 3.898365  81.74361       4.936542  87.29484       9.873084  76.19238       9.873084  92.79596 5.319781  86.60742 5.699907  6.188538       7.796731  
1 1 1 19 16 20 o 39.53378 8.868823  17.10159       5.598877  14.77151       11.19775  19.43168       11.19775  37.34307 12.61559  41.72447 12.46880  -4.381397      17.73765  
1 1 1 19 16 21 o 42.02358 9.341471  20.35132       6.251682  23.84407       12.50336  16.85858       12.50336  45.13202 13.08981  38.91513 13.33076  6.216888       18.68294  
1 1 1 19 16 22 o 35.91616 14.25360  12.76067       15.23848  12.76067       15.23848  ?              ?         35.91616 14.25360  ?        ?         ?              ?         
1 1 1 19 17 0  o 554.4531 6.026891  3077.048       66.81486  3077.048       66.81486  3077.048       66.81486  554.4531 6.026891  554.4531 6.026891  0.000000       0.000000  
1 1 1 19 17 1  o 267.3317 1.622159  714.8027       6.132557  707.4503       12.26511  722.1552       12.26511  265.9565 2.305850  268.7068 2.282248  -2.750305      3.244318  
1 1 1 19 17 2  o 367.9830 2.151152  1355.443       11.18346  1285.254       22.36692  1425.631       22.36692  358.4460 3.119984  377.5199 2.962350  -19.07382      4.302303  
1 1 1 19 17 3  o 330.2786 1.948532  1091.143       9.101154  1097.999       18.20231  1084.286       18.20231  331.3166 2.746966  329.2405 2.764287  2.076080       3.897063  
1 1 1 19 17 4  o 357.1711 2.046140  1276.148       10.33529  1282.414       20.67058  1269.882       20.67058  358.0482 2.886563  356.2939 2.900776  1.754364       4.092279  
1 1 1 19 17 5  o 194.6345 1.364168  378.8987       3.754822  375.4821       7.509643  382.3151       7.509643  193.7568 1.937905  195.5121 1.920506  -1.755341      2.728336  
1 1 1 19 17 6  o 231.0627 1.473935  534.2902       4.812652  509.9410       9.625304  558.6393       9.625304  225.7938 2.131437  236.3317 2.036397  -10.53790      2.947870  
1 1 1 19 17 7  o 290.0873 1.749920  842.7573       7.166563  785.6154       14.33313  899.8991       14.33313  280.2383 2.557311  299.9364 2.389360  -19.69818      3.499840  
1 1 1 19 17 8  o 272.1388 1.668755  741.8774       6.408928  797.3087       12.81786  686.4462       12.81786  282.3232 2.270068  261.9544 2.446581  20.36877       3.337509  
1 1 1 19 17 9  o 263.3786 1.684846  693.9796       6.275507  698.5112       12.55101  689.4482       12.55101  264.2389 2.374937  262.5183 2.390502  1.720551       3.369693  
1 1 1 19 17 10 o 76.01250 1.762797  57.97101       1.886941  64.11787       3.773881  51.82416       3.773881  80.05582 2.357031  71.96918 2.621873  8.086639       3.525594  
1 1 1 19 17 11 o 410.7238 2.489876  1690.170       14.44272  1792.003       28.88544  1588.337       28.88544  423.1206 3.413382  398.3271 3.625844  24.79352       4.979751  
1 1 1 19 17 12 f 127.5363 1.645414  163.5825       2.944771  186.9787       5.889543  140.1864       5.889543  136.7087 2.154048  118.3640 2.487895  18.34471       3.290828  
1 1 1 19 17 13 f 75.19743 2.689660  56.66064       2.859001  58.64765       5.718002  54.67363       5.718002  76.51863 3.736346  73.87624 3.869987  2.642387       5.379320  
1 1 1 19 17 14 o 230.3232 1.726285  530.9689       5.622702  525.0937       11.24540  536.8442       11.24540  229.0478 2.454817  231.5986 2.427779  -2.550873      3.452569  
1 1 1 19 17 15 o 257.3493 1.852928  663.5885       6.737713  695.7474       13.47543  631.4295       13.47543  263.5974 2.556062  251.1012 2.683266  12.49625       3.705856  
1 1 1 19 17 16 o 118.0850 2.396113  140.0767       3.993072  129.6557       7.986144  150.4978       7.986144  113.6724 3.512788  122.4975 3.259717  -8.825050      4.792226  
1 1 1 19 17 17 o 130.0704 2.383185  169.8580       4.383801  170.1106       8.767603  169.6055       8.767603  130.1675 3.367816  129.9734 3.372846  0.1941528      4.766369  
1 1 1 19 17 18 o 140.7510 2.568606  199.1485       5.112847  198.6053       10.22569  199.6917       10.22569  140.5580 3.637535  140.9440 3.627574  -0.3859406     5.137213  
1 1 1 19 17 19 f 153.4012 2.711537  237.0874       5.880013  244.9306       11.76003  229.2443       11.76003  155.9576 3.770263  150.8448 3.898056  5.112869       5.423073  
1 1 1 19 17 20 o 30.11578 8.571059  5.965783       5.603642  6.594762       11.20728  5.336802       11.20728  30.56542 12.19420  29.66613 12.04797  0.8992901      17.14212  
1 1 1 19 17 21 o 28.96122 8.842271  1.515271       6.647178  3.993072       13.29436  -0.9625304     13.29436  30.25972 12.77998  27.66272 12.22355  2.596996       17.68454  
1 1 1 19 17 22 o 103.2273 5.404317  113.3022       7.852723  101.4088       15.70545  125.1957       15.70545  97.46645 8.056848  108.9881 7.205122  -11.52161      10.80863  
1 1 1 19 18 0  o 621.3392 6.664478  3864.950       82.79667  3864.950       82.79667  3864.950       82.79667  621.3392 6.664478  621.3392 6.664478  0.000000       0.000000  
1 1 1 19 18 1  o 167.0843 1.220144  279.2196       2.882826  274.6738       5.765652  283.7654       5.765652  165.7240 1.739535  168.4447 1.711438  -2.720673      2.440287  
1 1 1 19 18 2  o 388.7854 2.214496  1512.197       12.17458  1537.552       24.34916  1486.843       24.34916  392.0462 3.105394  385.5247 3.157925  6.521484       4.428992  
1 1 1 19 18 3  o 503.6735 2.806970  2538.931       19.98918  2473.951       39.97836  2603.912       39.97836  497.2228 4.020166  510.1241 3.918494  -12.90128      5.613941  
1 1 1 19 18 4  o 520.2141 2.833689  2708.260       20.84688  2688.986       41.69377  2727.535       41.69377  518.3616 4.021688  522.0667 3.993145  -3.705139      5.667379  
1 1 1 19 18 5  o 489.7194 2.641117  2400.984       18.27855  2505.304       36.55709  2296.664       36.55709  500.3704 3.653004  479.0684 3.815436  21.30200       5.282233  
1 1 1 19 18 6  o 313.2486 1.869404  983.8537       8.252983  1077.891       16.50597  889.8164       16.50597  328.2586 2.514171  298.2386 2.767242  30.02002       3.738808  
1 1 1 19 18 7  o 208.6814 1.422562  435.9309       4.193202  411.2292       8.386403  460.6327       8.386403  202.7629 2.068032  214.5999 1.953962  -11.83708      2.845123  
1 1 1 19 18 8  o 50.15826 2.307070  25.34504       1.620101  29.46677       3.240201  21.22332       3.240201  54.26698 2.985426  46.04953 3.518169  8.217449       4.614140  
1 1 1 19 18 9  o 334.7636 2.107058  1122.291       9.963620  1059.432       19.92724  1185.151       19.92724  325.3749 3.062197  344.1523 2.895119  -18.77740      4.214115  
1 1 1 19 18 10 o 181.8752 1.490193  331.0104       3.831062  342.9372       7.662123  319.0836       7.662123  185.1540 2.069122  178.5963 2.145096  6.557693       2.980386  
1 1 1 19 18 11 o 220.9286 1.537295  488.2984       4.803122  487.3739       9.606244  489.2227       9.606244  220.7194 2.176121  221.1378 2.172004  -0.4183960     3.074590  
1 1 1 19 18 12 o 110.9417 1.875861  123.5136       2.930476  110.3193       5.860952  136.7079       5.860952  104.9952 2.791056  116.8882 2.507076  -11.89299      3.751723  
1 1 1 19 18 13 o 180.8699 1.713254  328.4944       4.359977  290.3220       8.719954  366.6669       8.719954  170.3174 2.559913  191.4223 2.277674  -21.10492      3.426507  
1 1 1 19 18 14 o 125.1861 1.995807  157.2689       3.521337  172.2167       7.042673  142.3211       7.042673  131.1563 2.684839  119.2159 2.953748  11.94045       3.991615  
1 1 1 19 18 15 o 159.6598 1.837026  255.3708       4.145552  245.5119       8.291104  265.2296       8.291104  156.5724 2.647690  162.7473 2.547233  -6.174881      3.674052  
1 1 1 19 18 16 o 109.5565 2.460915  120.6832       3.802472  130.9137       7.604944  110.4528       7.604944  114.2255 3.328917  104.8874 3.625288  9.338066       4.921829  
1 1 1 19 18 17 f 163.7815 2.194487  269.4466       5.074727  287.0342       10.14945  251.8589       10.14945  169.1508 3.000121  158.4123 3.203493  10.73848       4.388974  
1 1 1 19 18 18 o 21.69749 6.982029  -5.136672      4.717352  -5.222442      9.434704  -5.050902      9.434704  21.65561 9.860103  21.73937 9.888037  -0.8376312E-01 13.96406  
1 1 1 19 18 19 o 70.28979 5.449779  50.93311       5.413042  53.20601       10.82608  48.66020       10.82608  71.90660 7.527879  68.67299 7.882346  3.233612       10.89956  
1 1 1 19 18 20 o 97.31756 4.594070  97.43000       6.313628  103.2957       12.62726  91.56428       12.62726  100.3313 6.292782  94.30386 6.694984  6.027405       9.188140  
1 1 1 19 18 21 o 32.91317 9.461640  8.148153       6.914018  6.213562       13.82804  10.08274       13.82804  31.72194 13.19473  34.10441 13.56428  -2.382469      18.92328  
1 1 1 19 18 22 o 37.27044 14.75020  14.71433       16.27725  14.71433       16.27725  ?              ?         37.27044 14.75020  ?        ?         ?              ?         
1 1 1 19 19 0  o 388.5948 6.575488  1512.021       51.07129  1512.021       51.07129  1512.021       51.07129  388.5948 6.575488  388.5948 6.575488  0.000000       0.000000  
1 1 1 19 19 1  o 1143.296 12.03953  13115.10       275.2265  13115.10       275.2265  13115.10       275.2265  1143.296 12.03953  1143.296 12.03953  0.000000       0.000000  
1 1 1 19 19 2  o 334.4617 4.227108  1119.623       28.26599  1119.623       28.26599  1119.623       28.26599  334.4617 4.227108  334.4617 4.227108  0.000000       0.000000  
1 1 1 19 19 3  o 72.25642 3.005179  52.49126       4.326622  52.49126       4.326622  52.49126       4.326622  72.25642 3.005179  72.25642 3.005179  0.000000       0.000000  
1 1 1 19 19 4  o 328.9086 3.851912  1082.637       25.33075  1082.637       25.33075  1082.637       25.33075  328.9086 3.851912  328.9086 3.851912  0.000000       0.000000  
1 1 1 19 19 5  o 350.0660 4.030269  1226.454       28.20881  1226.454       28.20881  1226.454       28.20881  350.0660 4.030269  350.0660 4.030269  0.000000       0.000000  
1 1 1 19 19 6  o 164.7510 2.911629  271.7480       9.587184  271.7480       9.587184  271.7480       9.587184  164.7510 2.911629  164.7510 2.911629  0.000000       0.000000  
1 1 1 19 19 7  o 393.8191 4.593150  1552.562       36.16636  1552.562       36.16636  1552.562       36.16636  393.8191 4.593150  393.8191 4.593150  0.000000       0.000000  
1 1 1 19 19 8  o 80.45931 3.436592  65.11852       5.508343  65.11852       5.508343  65.11852       5.508343  80.45931 3.436592  80.45931 3.436592  0.000000       0.000000  
1 1 1 19 19 9  o 243.0844 3.237619  591.4606       15.73404  591.4606       15.73404  591.4606       15.73404  243.0844 3.237619  243.0844 3.237619  0.000000       0.000000  
1 1 1 19 19 10 o 313.4778 3.737460  983.6488       23.42475  983.6488       23.42475  983.6488       23.42475  313.4778 3.737460  313.4778 3.737460  0.000000       0.000000  
1 1 1 19 19 11 o 173.7035 3.093758  302.1583       10.74031  302.1583       10.74031  302.1583       10.74031  173.7035 3.093758  173.7035 3.093758  0.000000       0.000000  
1 1 1 19 19 12 o 164.7656 3.665292  272.0626       12.06498  272.0626       12.06498  272.0626       12.06498  164.7656 3.665292  164.7656 3.665292  0.000000       0.000000  
1 1 1 19 19 13 o 124.2957 3.787678  155.0627       9.396584  155.0627       9.396584  155.0627       9.396584  124.2957 3.787678  124.2957 3.787678  0.000000       0.000000  
1 1 1 19 19 14 o 258.7452 3.738315  670.7026       19.33638  670.7026       19.33638  670.7026       19.33638  258.7452 3.738315  258.7452 3.738315  0.000000       0.000000  
1 1 1 19 19 15 o 73.56062 6.786599  55.74099       9.825435  55.74099       9.825435  55.74099       9.825435  73.56062 6.786599  73.56062 6.786599  0.000000       0.000000  
1 1 1 19 19 16 o 98.39197 5.701258  98.24481       11.14057  98.24481       11.14057  98.24481       11.14057  98.39197 5.701258  98.39197 5.701258  0.000000       0.000000  
1 1 1 19 19 17 o 34.84135 16.06186  18.44056       12.21746  18.44056       12.21746  18.44056       12.21746  34.84135 16.06186  34.84135 16.06186  0.000000       0.000000  
1 1 1 19 19 18 o 103.4523 7.096396  109.8523       14.54279  109.8523       14.54279  109.8523       14.54279  103.4523 7.096396  103.4523 7.096396  0.000000       0.000000  
1 1 1 19 19 19 o 56.30008 14.13714  38.34874       13.75180  38.34874       13.75180  38.34874       13.75180  56.30008 14.13714  56.30008 14.13714  0.000000       0.000000  
1 1 1 19 19 20 o 98.14523 8.972147  101.2372       17.33508  101.2372       17.33508  101.2372       17.33508  98.14523 8.972147  98.14523 8.972147  0.000000       0.000000  
1 1 1 19 19 21 o 50.58773 21.36769  41.56035       21.70935  41.56035       21.70935  41.56035       21.70935  50.58773 21.36769  50.58773 21.36769  0.000000       0.000000  
1 1 1 20 0  0  o 1362.143 19.86855  18589.04       541.0183  18589.04       541.0183  18589.04       541.0183  1362.143 19.86855  1362.143 19.86855  0.000000       0.000000  
1 1 1 20 0  1  o 129.7726 2.509940  168.6048       6.508993  168.6048       6.508993  168.6048       6.508993  129.7726 2.509940  129.7726 2.509940  0.000000       0.000000  
1 1 1 20 0  2  o 396.3633 4.227945  1571.755       33.50750  1571.755       33.50750  1571.755       33.50750  396.3633 4.227945  396.3633 4.227945  0.000000       0.000000  
1 1 1 20 0  3  o 246.5710 3.350421  608.3573       16.51550  608.3573       16.51550  608.3573       16.51550  246.5710 3.350421  246.5710 3.350421  0.000000       0.000000  
1 1 1 20 0  4  o 511.8987 6.415806  2622.485       65.66173  2622.485       65.66173  2622.485       65.66173  511.8987 6.415806  511.8987 6.415806  0.000000       0.000000  
1 1 1 20 0  5  o 258.1141 3.856550  666.7572       19.89865  666.7572       19.89865  666.7572       19.89865  258.1141 3.856550  258.1141 3.856550  0.000000       0.000000  
1 1 1 20 0  6  o 379.6917 4.996705  1442.795       37.92942  1442.795       37.92942  1442.795       37.92942  379.6917 4.996705  379.6917 4.996705  0.000000       0.000000  
1 1 1 20 0  7  o 444.7466 5.101357  1979.439       45.36282  1979.439       45.36282  1979.439       45.36282  444.7466 5.101357  444.7466 5.101357  0.000000       0.000000  
1 1 1 20 0  8  o 138.0121 2.093351  190.6191       5.775182  190.6191       5.775182  190.6191       5.775182  138.0121 2.093351  138.0121 2.093351  0.000000       0.000000  
1 1 1 20 0  9  o 119.9796 2.138188  144.1032       5.127142  144.1032       5.127142  144.1032       5.127142  119.9796 2.138188  119.9796 2.138188  0.000000       0.000000  
1 1 1 20 0  10 o 262.3472 3.123205  688.7238       16.38207  688.7238       16.38207  688.7238       16.38207  262.3472 3.123205  262.3472 3.123205  0.000000       0.000000  
1 1 1 20 0  11 o 207.4839 2.768465  430.8229       11.48365  430.8229       11.48365  430.8229       11.48365  207.4839 2.768465  207.4839 2.768465  0.000000       0.000000  
1 1 1 20 0  12 o 152.7358 2.547314  233.5327       7.776483  233.5327       7.776483  233.5327       7.776483  152.7358 2.547314  152.7358 2.547314  0.000000       0.000000  
1 1 1 20 0  13 f 75.60989 3.450052  57.55169       5.193852  57.55169       5.193852  57.55169       5.193852  75.60989 3.450052  75.60989 3.450052  0.000000       0.000000  
1 1 1 20 0  14 o 59.71917 4.940682  36.43320       5.822832  36.43320       5.822832  36.43320       5.822832  59.71917 4.940682  59.71917 4.940682  0.000000       0.000000  
1 1 1 20 0  15 o 155.3759 3.392366  241.9192       10.53065  241.9192       10.53065  241.9192       10.53065  155.3759 3.392366  155.3759 3.392366  0.000000       0.000000  
1 1 1 20 0  16 o 72.68458 5.585060  53.88265       8.024263  53.88265       8.024263  53.88265       8.024263  72.68458 5.585060  72.68458 5.585060  0.000000       0.000000  
1 1 1 20 0  17 o 106.6500 4.421780  114.5602       9.396584  114.5602       9.396584  114.5602       9.396584  106.6500 4.421780  106.6500 4.421780  0.000000       0.000000  
1 1 1 20 0  18 o 214.0155 4.385808  459.9371       18.75505  459.9371       18.75505  459.9371       18.75505  214.0155 4.385808  214.0155 4.385808  0.000000       0.000000  
1 1 1 20 0  19 o 20.78014 13.34875  1.763051       12.20794  1.763051       12.20794  1.763051       12.20794  20.78014 13.34875  20.78014 13.34875  0.000000       0.000000  
1 1 1 20 0  20 o 80.90820 8.686761  68.89240       13.77085  68.89240       13.77085  68.89240       13.77085  80.90820 8.686761  80.90820 8.686761  0.000000       0.000000  
1 1 1 20 0  21 o 121.1923 7.953191  151.2221       19.10766  151.2221       19.10766  151.2221       19.10766  121.1923 7.953191  121.1923 7.953191  0.000000       0.000000  
1 1 1 20 0  22 o 85.75584 14.35795  83.55907       22.79577  83.55907       22.79577  83.55907       22.79577  85.75584 14.35795  85.75584 14.35795  0.000000       0.000000  
1 1 1 20 0  23 o 29.51694 17.59414  13.78039       17.89735  13.78039       17.89735  13.78039       17.89735  29.51694 17.59414  29.51694 17.59414  0.000000       0.000000  
1 1 1 20 1  0  o 115.2391 2.081362  132.9340       4.793592  132.9340       4.793592  132.9340       4.793592  115.2391 2.081362  115.2391 2.081362  0.000000       0.000000  
1 1 1 20 1  1  o 220.1451 1.271398  484.9294       3.954952  507.8539       7.909904  462.0050       7.909904  225.3518 1.755012  214.9385 1.840039  10.41333       2.542796  
1 1 1 20 1  2  o 572.9928 3.020100  3286.946       24.43970  3089.408       48.87939  3484.484       48.87939  555.7554 4.397563  590.2302 4.140706  -34.47485      6.040199  
1 1 1 20 1  3  o 380.3745 2.209272  1447.083       11.88391  1461.407       23.76783  1432.760       23.76783  382.2573 3.108878  378.4917 3.139809  3.765656       4.418543  
1 1 1 20 1  4  o 275.2227 1.840690  758.4119       7.152268  809.3355       14.30454  707.4884       14.30454  284.4741 2.514207  265.9714 2.689112  18.50269       3.681380  
1 1 1 20 1  5  o 486.5814 3.014264  2368.335       20.74205  2367.872       41.48410  2368.797       41.48410  486.5339 4.263229  486.6289 4.262396  -0.9500122E-01 6.028527  
1 1 1 20 1  6  o 317.8989 2.115156  1011.686       9.496650  951.5900       18.99330  1071.782       18.99330  308.4468 3.078861  327.3510 2.901060  -18.90417      4.230311  
1 1 1 20 1  7  o 189.1527 1.320549  358.2519       3.526102  333.3786       7.052203  383.1252       7.052203  182.5778 1.931288  195.7276 1.801535  -13.14986      2.641098  
1 1 1 20 1  8  o 25.31682 2.170459  6.413693       0.7766953 6.651943       1.553391  6.175443       1.553391  25.78736 3.011922  24.84629 3.126002  0.9410744      4.340917  
1 1 1 20 1  9  o 133.0751 1.085918  177.6297       2.034656  196.8422       4.069312  158.4173       4.069312  140.2937 1.450283  125.8564 1.616648  14.43731       2.171836  
1 1 1 20 1  10 o 252.3886 1.526224  637.9861       5.436867  684.1209       10.87373  591.8513       10.87373  261.5283 2.078883  243.2490 2.235104  18.27925       3.052449  
1 1 1 20 1  11 o 281.6139 1.677336  793.6777       6.675768  827.0137       13.35154  760.3418       13.35154  287.5326 2.321743  275.6951 2.421431  11.83746       3.354671  
1 1 1 20 1  12 o 155.3459 1.335589  241.5904       2.930476  255.6042       5.860952  227.5765       5.860952  159.8564 1.833193  150.8353 1.942831  9.021088       2.671177  
1 1 1 20 1  13 o 335.4999 1.980444  1126.304       9.396584  1125.979       18.79317  1126.628       18.79317  335.4516 2.801174  335.5482 2.800367  -0.9661865E-01 3.960888  
1 1 1 20 1  14 o 223.6571 1.576004  501.4735       4.969897  546.2884       9.939795  456.6587       9.939795  233.6758 2.126834  213.6385 2.326312  20.03732       3.152008  
1 1 1 20 1  15 o 229.7272 1.714319  528.3529       5.565523  505.2141       11.13105  551.4918       11.13105  224.6910 2.476967  234.7633 2.370695  -10.07231      3.428638  
1 1 1 20 1  16 o 181.4495 1.692412  329.6238       4.340917  341.0312       8.681833  318.2164       8.681833  184.5929 2.351616  178.3061 2.434531  6.286819       3.384825  
1 1 1 20 1  17 o 153.0839 1.981956  234.9908       4.283737  250.5247       8.567473  219.4569       8.567473  158.1576 2.708525  148.0103 2.894216  10.14731       3.963912  
1 1 1 20 1  18 o 106.6877 2.617836  114.8318       3.921597  99.11203       7.843193  130.5515       7.843193  99.32052 3.948426  114.0549 3.438342  -14.73435      5.235672  
1 1 1 20 1  19 o 84.20815 3.871937  72.53764       4.526752  56.82742       9.053504  88.24784       9.053504  74.87994 6.045346  93.53635 4.839564  -18.65640      7.743875  
1 1 1 20 1  20 o 76.62130 4.670110  59.99614       5.060432  59.70547       10.12086  60.28680       10.12086  76.43163 6.620862  76.81097 6.588162  -0.3793488     9.340219  
1 1 1 20 1  21 o 20.52163 6.908617  -14.57138      5.613173  -7.147503      11.22635  -21.99525      11.22635  22.97843 10.57044  18.06483 8.898411  4.913603       13.81723  
1 1 1 20 1  22 o 36.29667 8.580865  6.361277       6.918783  30.04810       13.83757  -17.32555      13.83757  50.46262 13.45895  22.13072 10.64808  28.33189       17.16173  
1 1 1 20 1  23 o 45.30397 15.18782  25.93114       16.22960  25.93114       16.22960  ?              ?         45.30397 15.18782  ?        ?         ?              ?         
1 1 1 20 2  0  o 521.1100 5.461196  2716.957       56.90365  2716.957       56.90365  2716.957       56.90365  521.1100 5.461196  521.1100 5.461196  0.000000       0.000000  
1 1 1 20 2  1  o 264.4699 1.537542  700.5887       5.737062  756.1677       11.47412  645.0097       11.47412  274.9775 2.086375  253.9623 2.259021  21.01524       3.075083  
1 1 1 20 2  2  o 180.6343 1.193182  326.8696       3.040071  354.1445       6.080142  299.5947       6.080142  188.1841 1.615477  173.0846 1.756408  15.09950       2.386364  
1 1 1 20 2  3  o 215.9860 1.466162  467.1417       4.469572  500.9732       8.939144  433.3102       8.939144  223.8179 1.996968  208.1541 2.147242  15.66377       2.932325  
1 1 1 20 2  4  o 365.0021 2.199784  1332.476       11.35500  1338.384       22.71000  1326.567       22.71000  365.8115 3.104058  364.1927 3.117855  1.618774       4.399568  
1 1 1 20 2  5  o 741.0110 4.862597  5495.415       50.95694  5466.181       101.9139  5524.648       101.9139  739.0385 6.895031  742.9836 6.858420  -3.945068      9.725193  
1 1 1 20 2  6  o 134.3524 1.590366  182.0802       2.982891  215.5878       5.965783  148.5728       5.965783  146.8224 2.031632  121.8824 2.447351  24.94000       3.180732  
1 1 1 20 2  7  o 423.5865 2.354614  1795.648       14.09487  1874.637       28.18975  1716.659       28.18975  432.9104 3.255841  414.2626 3.402401  18.64777       4.709229  
1 1 1 20 2  8  o 48.61665 1.323765  23.63917       0.9101154 23.86313       1.820231  23.41522       1.820231  48.84698 1.863197  48.38633 1.880935  0.4606590      2.647531  
1 1 1 20 2  9  o 98.46696 1.192999  100.1127       1.581981  65.19476       3.163961  135.0306       3.163961  80.73617 1.959445  116.1977 1.361456  -35.46158      2.385998  
1 1 1 20 2  10 o 248.0005 1.527527  615.3094       5.355862  598.1317       10.71172  632.4872       10.71172  244.5372 2.190203  251.4638 2.129874  -6.926544      3.055054  
1 1 1 20 2  11 f 113.3953 1.295089  130.5658       2.029891  162.2864       4.059782  98.84519       4.059782  127.3821 1.593545  99.40858 2.041967  27.97349       2.590177  
1 1 1 20 2  12 o 307.5609 1.836081  946.4104       7.986144  944.3376       15.97229  948.4831       15.97229  307.2239 2.599454  307.8979 2.593764  -0.6739502     3.672162  
1 1 1 20 2  13 o 338.9956 2.039526  1150.681       9.768253  1209.138       19.53651  1092.224       19.53651  347.6177 2.810056  330.3735 2.956730  17.24417       4.079052  
1 1 1 20 2  14 o 80.13571 2.114734  64.35612       2.392031  59.77219       4.784062  68.94006       4.784062  77.27560 3.095454  82.99581 2.882111  -5.720207      4.229468  
1 1 1 20 2  15 f 159.2363 1.544656  253.7030       3.478451  252.6595       6.956903  254.7466       6.956903  158.9086 2.188963  159.5639 2.179973  -0.6553345     3.089311  
1 1 1 20 2  16 o 328.1620 2.141015  1078.501       9.935029  1058.898       19.87006  1098.104       19.87006  325.1752 3.055285  331.1489 3.000170  -5.973633      4.282031  
1 1 1 20 2  17 o 164.0569 1.864833  269.5419       4.326622  270.0041       8.653244  269.0797       8.653244  164.1978 2.635006  163.9161 2.639535  0.2817383      3.729665  
1 1 1 20 2  18 o 112.7299 2.465873  127.5496       3.931127  126.6728       7.862253  128.4263       7.862253  112.3410 3.499280  113.1188 3.475221  -0.7777481     4.931746  
1 1 1 20 2  19 o 56.01566 5.275419  32.04940       4.174142  30.28635       8.348284  33.81245       8.348284  54.44195 7.667142  57.58937 7.248112  -3.147419      10.55084  
1 1 1 20 2  20 o 83.56701 4.835593  72.39944       5.594112  89.03882       11.18822  55.76005       11.18822  93.52272 5.981554  73.61130 7.599530  19.91142       9.671186  
1 1 1 20 2  21 o 46.52092 8.845273  24.29675       5.965783  21.97619       11.93157  26.61730       11.93157  44.30735 12.76642  48.73449 12.24638  -4.427135      17.69055  
1 1 1 20 2  22 o 58.68111 8.956601  39.86400       7.409578  51.06176       14.81916  28.66625       14.81916  68.40392 10.83210  48.95830 14.26704  19.44562       17.91320  
1 1 1 20 2  23 o 64.24678 9.594975  50.99029       8.700893  69.55950       17.40179  32.42107       17.40179  78.57961 11.07271  49.91396 15.67320  28.66565       19.18995  
1 1 1 20 3  0  o 168.2768 2.592332  283.3842       8.719954  283.3842       8.719954  283.3842       8.719954  168.2768 2.592332  168.2768 2.592332  0.000000       0.000000  
1 1 1 20 3  1  o 608.5439 3.268556  3705.666       28.11351  3850.103       56.22703  3561.229       56.22703  620.4113 4.531431  596.6765 4.711684  23.73480       6.537112  
1 1 1 20 3  2  o 389.7938 2.222165  1521.865       12.22223  1639.456       24.44446  1404.275       24.44446  404.8775 3.018748  374.7101 3.261783  30.16739       4.444330  
1 1 1 20 3  3  o 319.5303 1.821563  1021.278       8.229158  994.0461       16.45832  1048.510       16.45832  315.2691 2.610201  323.7916 2.541498  -8.522491      3.643126  
1 1 1 20 3  4  o 193.3366 1.262081  374.2194       3.445096  349.4557       6.890193  398.9832       6.890193  186.9323 1.842965  199.7409 1.724783  -12.80862      2.524162  
1 1 1 20 3  5  o 298.4048 1.912897  892.3704       8.048088  972.5178       16.09618  812.2231       16.09618  311.8342 2.580887  284.9756 2.824133  26.85861       3.825795  
1 1 1 20 3  6  o 337.7725 2.027519  1143.939       9.649128  1030.317       19.29826  1257.560       19.29826  320.9532 3.006397  354.5917 2.721195  -33.63846      4.055037  
1 1 1 20 3  7  o 257.6153 1.622608  666.1140       5.880013  745.3321       11.76003  586.8958       11.76003  272.9905 2.153925  242.2400 2.427350  30.75056       3.245215  
1 1 1 20 3  8  o 491.0103 2.645141  2413.631       18.35002  2291.528       36.70005  2535.734       36.70005  478.5764 3.834293  503.4441 3.644898  -24.86774      5.290282  
1 1 1 20 3  9  o 258.0668 1.523857  666.5666       5.555993  632.3633       11.11199  700.7698       11.11199  251.4400 2.209669  264.6936 2.099028  -13.25360      3.047714  
1 1 1 20 3  10 o 346.5097 1.983230  1204.154       9.682484  1084.553       19.36497  1323.756       19.36497  329.2516 2.940755  363.7677 2.661722  -34.51605      3.966460  
1 1 1 20 3  11 o 411.4983 2.322052  1694.768       13.50878  1645.336       27.01756  1744.200       27.01756  405.4919 3.331455  417.5047 3.235600  -12.01273      4.644104  
1 1 1 20 3  12 o 197.8812 1.449073  391.7022       4.055017  387.6901       8.110033  395.7143       8.110033  196.8674 2.059771  198.8949 2.038773  -2.027527      2.898146  
1 1 1 20 3  13 o 310.1339 1.859205  962.4733       8.152919  941.3738       16.30584  983.5726       16.30584  306.7322 2.657993  313.5355 2.600317  -6.803345      3.718410  
1 1 1 20 3  14 o 387.6970 2.242835  1505.274       12.28894  1441.804       24.57788  1568.743       24.57788  379.5115 3.238094  395.8825 3.104189  -16.37100      4.485671  
1 1 1 20 3  15 o 238.4877 1.695709  569.2271       5.718002  556.0090       11.43600  582.4453       11.43600  235.7165 2.425796  241.2590 2.370068  -5.542480      3.391417  
1 1 1 20 3  16 o 121.2148 2.016529  147.1766       3.454626  141.1489       6.909253  153.2043       6.909253  118.7284 2.909688  123.7012 2.792719  -4.972763      4.033059  
1 1 1 20 3  17 o 61.64289 3.799120  38.26773       3.306911  35.85188       6.613823  40.68359       6.613823  59.68333 5.540762  63.60244 5.199347  -3.919113      7.598240  
1 1 1 20 3  18 o 97.06503 2.770339  94.81401       3.792941  102.6763       7.585882  86.95175       7.585882  101.1150 3.751116  93.01503 4.077773  8.099991       5.540677  
1 1 1 20 3  19 o 108.6459 3.139449  118.9344       4.822182  122.3748       9.644363  115.4941       9.644363  110.2292 4.374686  107.0627 4.504074  3.166534       6.278898  
1 1 1 20 3  20 o 89.50370 4.150486  81.51965       5.251032  78.64159       10.50206  84.39771       10.50206  87.89591 5.974148  91.11149 5.763304  -3.215576      8.300971  
1 1 1 20 3  21 o 45.37565 8.743470  22.82436       6.142087  33.30736       12.28417  12.34135       12.28417  54.84995 11.55973  35.90134 13.12119  18.94861       17.48694  
1 1 1 20 3  22 o 93.57970 4.673650  91.47850       6.080142  110.1764       12.16028  72.78065       12.16028  103.5700 5.870561  83.58936 7.273824  19.98068       9.347300  
1 1 1 20 3  23 o 155.6479 3.934604  250.1960       8.653244  261.9036       17.30649  238.4883       17.30649  159.4088 5.428334  151.8870 5.697160  7.521866       7.869208  
1 1 1 20 4  0  o 19.97718 6.150675  4.974662       2.144251  4.974662       2.144251  4.974662       2.144251  19.97718 6.150675  19.97718 6.150675  0.000000       0.000000  
1 1 1 20 4  1  o 837.9924 4.405465  7026.610       52.20060  6879.567       104.4012  7173.653       104.4012  829.2189 6.295153  846.7660 6.164702  -17.54712      8.810930  
1 1 1 20 4  2  o 322.4339 1.869404  1040.100       8.519823  1079.016       17.03965  1001.184       17.03965  328.4686 2.593802  316.3992 2.692745  12.06937       3.738808  
1 1 1 20 4  3  o 434.6577 2.353452  1889.600       14.46655  1881.737       28.93309  1897.462       28.93309  433.7533 3.335202  435.5621 3.321351  -1.808838      4.706904  
1 1 1 20 4  4  o 581.3519 3.303462  3381.198       27.15575  3315.403       54.31149  3446.993       54.31149  575.6932 4.717052  587.0107 4.626107  -11.31757      6.606924  
1 1 1 20 4  5  o 223.0566 1.437129  497.7188       4.531517  481.0746       9.063033  514.3629       9.063033  219.3257 2.066113  226.7875 1.998133  -7.461853      2.874258  
1 1 1 20 4  6  o 383.7708 2.260679  1474.254       12.25558  1393.325       24.51117  1555.182       24.51117  373.2269 3.283682  394.3147 3.108072  -21.08777      4.521358  
1 1 1 20 4  7  o 539.5331 2.908281  2912.350       22.19061  2915.171       44.38123  2909.529       44.38123  539.7946 4.110937  539.2717 4.114923  0.5228271      5.816562  
1 1 1 20 4  8  o 661.8417 3.686272  4385.750       34.48908  4529.249       68.97816  4242.252       68.97816  672.6825 5.127097  651.0009 5.297855  21.68164       7.372543  
1 1 1 20 4  9  o 137.2087 1.112412  188.2842       2.158546  188.7703       4.317091  187.7982       4.317091  137.3858 1.571157  137.0316 1.575218  0.3542328      2.224825  
1 1 1 20 4  10 o 497.9103 2.714252  2481.074       19.11242  2477.058       38.22485  2485.091       38.22485  497.5069 3.841640  498.3136 3.835421  -0.8067017     5.428503  
1 1 1 20 4  11 o 509.9566 2.827772  2607.909       20.33703  2831.583       40.67405  2384.235       40.67405  531.8873 3.823560  488.0259 4.167203  43.86139       5.655545  
1 1 1 20 4  12 o 86.38435 1.561598  76.33056       1.844056  98.74036       3.688112  53.92076       3.688112  99.35534 1.856021  73.41336 2.511880  25.94198       3.123197  
1 1 1 20 4  13 o 388.2469 2.342339  1508.685       12.86074  1498.907       25.72148  1518.463       25.72148  386.9877 3.323294  389.5061 3.301807  -2.518433      4.684679  
1 1 1 20 4  14 o 226.7297 1.622522  516.7930       5.165262  445.6516       10.33052  587.9345       10.33052  211.0411 2.447515  242.4183 2.130723  -31.37723      3.245044  
1 1 1 20 4  15 f 235.7125 1.698773  556.1234       5.660822  539.0742       11.32164  573.1725       11.32164  232.0960 2.439001  239.3290 2.365289  -7.233017      3.397546  
1 1 1 20 4  16 o 167.1359 1.705991  279.6532       4.031191  287.4821       8.062383  271.8243       8.062383  169.4780 2.378593  164.7938 2.446203  4.684158       3.411981  
1 1 1 20 4  17 o 38.37822 5.633651  15.84840       3.235436  4.269442       6.470873  27.42735       6.470873  24.59660 9.406157  52.15983 6.202927  -27.56323      11.26730  
1 1 1 20 4  18 o 74.44666 3.858685  56.02689       4.050251  51.04269       8.100503  61.01109       8.100503  71.09917 5.696623  77.79415 5.206370  -6.694984      7.717371  
1 1 1 20 4  19 o 95.66086 3.569001  94.24220       4.679232  67.82504       9.358463  120.6594       9.358463  81.85313 5.716619  109.4686 4.274498  -27.61546      7.138001  
1 1 1 20 4  20 o 173.2388 2.376079  301.9200       5.818067  313.4990       11.63613  290.3411       11.63613  176.5807 3.294848  169.8969 3.424469  6.683823       4.752159  
1 1 1 20 4  21 o 52.08143 8.398979  30.42930       6.099203  23.66300       12.19841  37.19561       12.19841  45.83502 12.81369  58.32784 10.86189  -12.49282      16.79796  
1 1 1 20 4  22 o 39.03358 9.472301  14.60473       7.114148  28.17069       14.22830  1.038770       14.22830  48.59430 13.92139  29.47287 12.84884  19.12143       18.94460  
1 1 1 20 4  23 o 52.86635 9.562513  34.82263       7.595412  21.15661       15.19082  48.48866       15.19082  41.64890 14.65279  64.08380 12.29074  -22.43490      19.12503  
1 1 1 20 5  0  o 214.8563 2.744375  461.8812       11.78861  461.8812       11.78861  461.8812       11.78861  214.8563 2.744375  214.8563 2.744375  0.000000       0.000000  
1 1 1 20 5  1  o 275.1111 1.545830  756.9825       6.013433  742.1586       12.02687  771.8065       12.02687  272.4169 2.207437  277.8053 2.164621  -5.388367      3.091660  
1 1 1 20 5  2  o 700.0711 3.718760  4903.226       36.81441  4977.549       73.62881  4828.900       73.62881  705.3795 5.219092  694.7627 5.298846  10.61682       7.437519  
1 1 1 20 5  3  o 433.6950 2.411767  1881.399       14.79056  1848.421       29.58113  1914.378       29.58113  429.8929 3.440523  437.4970 3.380723  -7.604095      4.823535  
1 1 1 20 5  4  o 476.1815 2.667254  2268.627       17.95453  2193.664       35.90905  2343.590       35.90905  468.3102 3.833896  484.0528 3.709209  -15.74252      5.334509  
1 1 1 20 5  5  o 105.2286 1.003882  110.8578       1.491446  118.2388       2.982891  103.4768       2.982891  108.7357 1.371625  101.7215 1.466205  7.014236       2.007763  
1 1 1 20 5  6  o 368.0287 2.128564  1355.119       11.07386  1309.575       22.14773  1400.663       22.14773  361.8412 3.060421  374.2163 2.959215  -12.37506      4.257127  
1 1 1 20 5  7  o 144.2724 1.170299  208.1925       2.387266  203.1797       4.774532  213.2053       4.774532  142.5352 1.674861  146.0097 1.635005  -3.474518      2.340599  
1 1 1 20 5  8  o 267.8207 1.691858  718.4289       6.394632  771.9684       12.78926  664.8893       12.78926  277.8161 2.301750  257.8253 2.480219  19.99081       3.383717  
1 1 1 20 5  9  o 204.7955 1.306506  419.5203       3.783412  411.2578       7.566823  427.7828       7.566823  202.7783 1.865787  206.8128 1.829389  -4.034515      2.613011  
1 1 1 20 5  10 o 280.3399 1.685316  786.2300       6.680532  802.5407       13.36106  769.9194       13.36106  283.2490 2.358537  277.4308 2.407999  5.818176       3.370631  
1 1 1 20 5  11 o 169.7993 1.280872  288.5256       3.073426  301.5770       6.146852  275.4743       6.146852  173.6424 1.769974  165.9561 1.851951  7.686340       2.561744  
1 1 1 20 5  12 o 290.1800 1.772787  842.7335       7.271393  811.6895       14.54279  873.7775       14.54279  284.8309 2.552881  295.5291 2.460466  -10.69815      3.545574  
1 1 1 20 5  13 o 189.2635 1.454346  358.5997       3.888242  338.8297       7.776483  378.3698       7.776483  184.0406 2.112709  194.4863 1.999236  -10.44576      2.908691  
1 1 1 20 5  14 o 112.9637 1.729310  127.9451       2.754171  116.3899       5.508343  139.5002       5.508343  107.8492 2.553724  118.0782 2.332497  -10.22905      3.458619  
1 1 1 20 5  15 o 151.1773 1.589042  229.3252       3.383151  205.2001       6.766303  253.4505       6.766303  143.1982 2.362565  159.1564 2.125677  -15.95821      3.178084  
1 1 1 20 5  16 o 99.46892 2.311656  99.15016       3.249731  103.2385       6.499463  95.06178       6.499463  101.5240 3.200948  97.41382 3.336007  4.110199       4.623312  
1 1 1 20 5  17 o 37.00314 7.634551  14.30930       4.240851  14.12347       8.481703  14.49514       8.481703  36.79896 10.81602  37.20732 10.77772  -0.4083595     15.26910  
1 1 1 20 5  18 o 83.07400 3.222378  69.46896       3.783412  72.29460       7.566823  66.64332       7.566823  84.77467 4.462903  81.37332 4.649450  3.401352       6.444757  
1 1 1 20 5  19 o 99.54411 3.197021  99.89349       4.498162  96.08150       8.996324  103.7055       8.996324  97.62939 4.607385  101.4588 4.433485  -3.829460      6.394042  
1 1 1 20 5  20 o 75.82700 5.252134  61.52571       5.251032  86.27512       10.50206  36.77629       10.50206  92.14667 5.698559  59.50734 8.824175  32.63933       10.50427  
1 1 1 20 5  21 o 78.68701 5.352893  65.69985       5.679882  43.70460       11.35976  87.69509       11.35976  64.71060 8.777360  92.66343 6.129584  -27.95283      10.70579  
1 1 1 20 5  22 o 104.2836 5.117643  114.1123       7.447698  93.64181       14.89540  134.5827       14.89540  94.46884 7.883761  114.0984 6.527432  -19.62960      10.23529  
1 1 1 20 5  23 o 54.93737 14.90525  38.56792       16.79187  38.56792       16.79187  ?              ?         54.93737 14.90525  ?        ?         ?              ?         
1 1 1 20 6  0  o 583.9853 6.232970  3412.475       72.78065  3412.475       72.78065  3412.475       72.78065  583.9853 6.232970  583.9853 6.232970  0.000000       0.000000  
1 1 1 20 6  1  o 156.8903 1.081393  247.9660       2.372971  205.7242       4.745942  290.2077       4.745942  143.4281 1.654467  170.3525 1.392977  -26.92438      2.162787  
1 1 1 20 6  2  o 446.0959 2.418486  1990.375       15.25754  1997.927       30.51507  1982.822       30.51507  446.9424 3.413759  445.2494 3.426739  1.693054       4.836971  
1 1 1 20 6  3  o 451.6705 2.437205  2040.498       15.56726  2019.980       31.13452  2061.016       31.13452  449.3991 3.464017  453.9419 3.429352  -4.542725      4.874409  
1 1 1 20 6  4  o 451.7462 2.522706  2041.298       16.11524  2009.573       32.23048  2073.024       32.23048  448.2347 3.595268  455.2575 3.539807  -7.022797      5.045412  
1 1 1 20 6  5  o 91.53841 1.246812  84.25000       1.601040  71.94201       3.202081  96.55800       3.202081  84.81555 1.887673  98.26127 1.629371  -13.44572      2.493624  
1 1 1 20 6  6  o 251.8628 1.648479  634.5172       5.870482  619.7076       11.74096  649.3268       11.74096  248.9228 2.358355  254.8028 2.303932  -5.880020      3.296959  
1 1 1 20 6  7  o 185.8000 1.253879  345.7295       3.287851  371.4510       6.575703  320.0080       6.575703  192.7218 1.706009  178.8782 1.838039  13.84364       2.507759  
1 1 1 20 6  8  o 262.6925 1.593252  691.0158       5.908603  738.2227       11.81721  643.8090       11.81721  271.6777 2.174858  253.7073 2.328906  17.97040       3.186504  
1 1 1 20 6  9  o 122.7066 1.131728  151.6033       1.944121  126.8634       3.888242  176.3432       3.888242  112.6257 1.726179  132.7875 1.464084  -20.16183      2.263457  
1 1 1 20 6  10 o 235.5831 1.480620  555.2132       4.931777  568.9222       9.863553  541.5043       9.863553  238.4927 2.067894  232.6736 2.119612  5.819138       2.961240  
1 1 1 20 6  11 o 79.45792 1.530801  63.15533       1.720166  63.03145       3.440331  63.27923       3.440331  79.37996 2.167002  79.53588 2.162754  -0.1559219     3.061602  
1 1 1 20 6  12 o 231.7986 1.533561  537.5113       5.027077  541.9618       10.05415  533.0607       10.05415  232.7585 2.159782  230.8385 2.177746  1.919998       3.067122  
1 1 1 20 6  13 o 144.2577 1.463791  208.9977       2.968596  182.8045       5.937192  235.1909       5.937192  135.1790 2.196048  153.3363 1.936004  -18.15724      2.927582  
1 1 1 20 6  14 o 143.0661 1.533583  205.6480       3.082956  178.8591       6.165912  232.4368       6.165912  133.7037 2.305812  152.4285 2.022559  -18.72481      3.067167  
1 1 1 20 6  15 o 194.7570 1.607443  379.5896       4.426687  372.0227       8.853374  387.1564       8.853374  192.8144 2.295828  196.6997 2.250480  -3.885269      3.214885  
1 1 1 20 6  16 o 152.6075 1.859062  233.7043       3.997837  256.4905       7.995674  210.9180       7.995674  160.0731 2.497506  145.1419 2.754434  14.93126       3.718124  
1 1 1 20 6  17 o 105.4410 2.661567  111.5916       3.964482  105.5829       7.928963  117.6003       7.928963  102.5917 3.864328  108.2904 3.660974  -5.698608      5.323134  
1 1 1 20 6  18 o 64.61992 4.257246  42.22744       3.888242  40.56923       7.776483  43.88567       7.776483  63.33686 6.138987  65.90298 5.899948  -2.566116      8.514491  
1 1 1 20 6  19 o 85.39862 3.841583  73.77653       4.636347  70.64592       9.272694  76.90713       9.272694  83.56568 5.548147  87.23156 5.314989  -3.665878      7.683166  
1 1 1 20 6  20 o 90.32654 4.231109  83.48760       5.355862  96.19586       10.71172  70.77934       10.71172  97.36116 5.501026  83.29192 6.430231  14.06924       8.462218  
1 1 1 20 6  21 f 147.5453 3.046797  220.8197       6.323157  246.9605       12.64631  194.6789       12.64631  156.4038 4.042840  138.6867 4.559311  17.71713       6.093594  
1 1 1 20 6  22 o 46.94033 10.26696  26.31710       7.519173  28.57095       15.03835  24.06326       15.03835  48.80108 14.42071  45.07957 14.61798  3.721504       20.53393  
1 1 1 20 6  23 o 26.35798 12.00814  -4.259912      14.03770  -4.259912      14.03770  ?              ?         26.35798 12.00814  ?        ?         ?              ?         
1 1 1 20 7  0  o 225.8121 3.365272  510.2936       15.19082  510.2936       15.19082  510.2936       15.19082  225.8121 3.365272  225.8121 3.365272  0.000000       0.000000  
1 1 1 20 7  1  o 864.0859 4.547916  7472.949       55.55516  7238.915       111.1103  7706.981       111.1103  850.5437 6.531723  877.6282 6.330147  -27.08447      9.095833  
1 1 1 20 7  2  o 561.2404 3.056100  3153.960       24.22050  2955.254       48.44101  3352.665       48.44101  543.5380 4.456083  578.9427 4.183576  -35.40472      6.112200  
1 1 1 20 7  3  o 499.5601 2.721198  2500.563       19.17437  2709.494       38.34874  2291.632       38.34874  520.4716 3.684037  478.6486 4.005939  41.82297       5.442396  
1 1 1 20 7  4  o 394.1731 2.260936  1554.005       12.60343  1549.474       25.20686  1558.537       25.20686  393.5983 3.202105  394.7479 3.192780  -1.149658      4.521871  
1 1 1 20 7  5  o 530.2056 2.871946  2812.319       21.53304  2774.051       43.06609  2850.586       43.06609  526.5969 4.089095  533.8144 4.033807  -7.217529      5.743892  
1 1 1 20 7  6  o 466.6170 2.604752  2178.563       17.18260  2111.792       34.36520  2245.335       34.36520  459.4621 3.739720  473.7719 3.626765  -14.30981      5.209504  
1 1 1 20 7  7  o 592.8710 3.220400  3522.556       26.94132  3793.247       53.88265  3251.866       53.88265  615.6998 4.375724  570.0422 4.726197  45.65753       6.440800  
1 1 1 20 7  8  o 272.6001 1.619967  743.5118       6.242152  716.6563       12.48430  770.3674       12.48430  267.6743 2.331995  277.5259 2.249214  -9.851624      3.239933  
1 1 1 20 7  9  o 225.1060 1.387843  507.2631       4.412392  537.1968       8.824783  477.3293       8.824783  231.7549 1.903905  218.4572 2.019797  13.29762       2.775686  
1 1 1 20 7  10 o 72.76320 1.615398  53.45379       1.639161  43.22810       3.278321  63.67949       3.278321  65.73650 2.493532  79.78989 2.054346  -14.05340      3.230796  
1 1 1 20 7  11 o 84.90353 1.512692  72.63769       1.796406  84.98857       3.592812  60.28680       3.592812  92.17701 1.948865  77.63005 2.314060  14.54696       3.025384  
1 1 1 20 7  12 o 64.27893 2.003791  41.50793       1.810701  36.29978       3.621402  46.71608       3.621402  60.22772 3.006424  68.33014 2.649930  -8.102417      4.007582  
1 1 1 20 7  13 o 138.0082 1.429999  190.9003       2.782761  174.0179       5.565523  207.7827       5.565523  131.8918 2.109882  144.1247 1.930801  -12.23289      2.859999  
1 1 1 20 7  14 o 315.6816 1.917051  997.2815       8.557944  984.0873       17.11589  1010.476       17.11589  313.5918 2.729007  317.7715 2.693113  -4.179626      3.834102  
1 1 1 20 7  15 o 92.25070 2.352172  85.22206       3.068661  85.68426       6.137322  84.75986       6.137322  92.50121 3.317428  92.00018 3.335495  0.5010300      4.704345  
1 1 1 20 7  16 o 268.6908 1.877520  722.8556       7.133208  737.5461       14.26642  708.1650       14.26642  271.4245 2.628063  265.9571 2.682090  5.467438       3.755039  
1 1 1 20 7  17 f 143.9158 1.962371  207.4920       3.993072  202.4268       7.986144  212.5572       7.986144  142.1560 2.808937  145.6755 2.741072  -3.519531      3.924742  
1 1 1 20 7  18 o 111.2712 2.762258  124.5047       4.340917  117.1142       8.681833  131.8953       8.681833  107.9502 4.021221  114.5921 3.788146  -6.641891      5.524515  
1 1 1 20 7  19 o 70.40081 4.503182  50.38514       4.474337  54.03513       8.948673  46.73514       8.948673  72.99310 6.129808  67.80852 6.598488  5.184586       9.006364  
1 1 1 20 7  20 o 47.85085 7.117784  24.74942       4.760237  31.30606       9.520474  18.19278       9.520474  54.95919 8.661404  40.74252 11.29741  14.21667       14.23557  
1 1 1 20 7  21 o 30.30591 8.615615  3.640462       6.070612  12.58914       12.14122  -5.308212      12.14122  35.84534 13.05010  24.76647 11.25211  11.07887       17.23123  
1 1 1 20 7  22 o 33.96964 9.527157  9.606243       6.804423  9.682484       13.60885  9.530005       13.60885  34.01923 13.47964  33.92004 13.46723  0.9919739E-01  19.05431  
1 1 1 20 7  23 o 38.52174 14.03159  17.05871       14.03770  17.05871       14.03770  ?              ?         38.52174 14.03159  ?        ?         ?              ?         
1 1 1 20 8  0  o 523.5328 5.551575  2742.449       58.11396  2742.449       58.11396  2742.449       58.11396  523.5328 5.551575  523.5328 5.551575  0.000000       0.000000  
1 1 1 20 8  1  o 445.3531 2.428679  1983.828       15.29566  1961.027       30.59131  2006.628       30.59131  442.7933 3.454355  447.9130 3.414872  -5.119659      4.857358  
1 1 1 20 8  2  o 424.9328 2.326481  1806.022       13.98051  1790.859       27.96103  1821.184       27.96103  423.1487 3.303925  426.7168 3.276298  -3.568085      4.652961  
1 1 1 20 8  3  o 479.9567 2.748956  2310.754       18.57874  2064.075       37.15749  2557.434       37.15749  454.2586 4.089904  505.6548 3.674195  -51.39618      5.497911  
1 1 1 20 8  4  o 781.3929 4.255123  6110.014       47.02104  6078.503       94.04208  6141.525       94.04208  779.3766 6.033160  783.4093 6.002104  -4.032654      8.510245  
1 1 1 20 8  5  o 477.5294 2.620852  2281.240       17.69722  2240.275       35.39443  2322.205       35.39443  473.2401 3.739585  481.8186 3.673004  -8.578461      5.241704  
1 1 1 20 8  6  o 433.6005 2.337594  1881.575       14.32360  1965.144       28.64719  1798.007       28.64719  443.2371 3.231588  423.9639 3.378495  19.27319       4.675189  
1 1 1 20 8  7  o 888.5685 4.817310  7914.302       60.46311  7468.178       120.9262  8360.425       120.9262  863.4650 7.002381  913.6721 6.617594  -50.20703      9.634620  
1 1 1 20 8  8  o 149.8803 1.188159  226.2423       2.492096  188.6369       4.984192  263.8477       4.984192  137.3352 1.814609  162.4254 1.534302  -25.09027      2.376318  
1 1 1 20 8  9  o 154.3966 1.288934  238.5932       2.811351  225.8134       5.622702  251.3729       5.622702  150.2580 1.871016  158.5352 1.773329  -8.277222      2.577867  
1 1 1 20 8  10 o 101.6336 1.347581  103.5673       1.929826  93.36545       3.859652  113.7692       3.859652  96.61470 1.997445  106.6526 1.809451  -10.03788      2.695162  
1 1 1 20 8  11 o 76.21184 1.624011  58.77630       1.720166  46.27770       3.440331  71.27490       3.440331  68.01193 2.529212  84.41175 2.037827  -16.39982      3.248023  
1 1 1 20 8  12 o 178.0475 1.415821  317.4397       3.559456  337.8577       7.118913  297.0216       7.118913  183.7814 1.936788  172.3137 2.065684  11.46774       2.831642  
1 1 1 20 8  13 o 92.29681 1.822173  86.05117       2.344381  102.7430       4.688762  69.35937       4.688762  101.3393 2.313398  83.25434 2.815926  18.08493       3.644345  
1 1 1 20 8  14 o 199.0906 1.670417  397.9206       4.679232  351.6953       9.358463  444.1458       9.358463  187.4815 2.495836  210.6997 2.220806  -23.21820      3.340834  
1 1 1 20 8  15 o 435.3502 2.601116  1898.834       16.01041  1849.326       32.02081  1948.343       32.02081  429.6641 3.726261  441.0362 3.630180  -11.37213      5.202233  
1 1 1 20 8  16 o 279.1220 1.887857  780.6693       7.442933  825.2793       14.88587  736.0594       14.88587  287.1131 2.592335  271.1309 2.745144  15.98224       3.775714  
1 1 1 20 8  17 o 62.85137 4.070477  41.47934       3.387916  57.95195       6.775833  25.00673       6.775833  75.95579 4.460380  49.74696 6.810298  26.20883       8.140955  
1 1 1 20 8  18 f 27.93290 7.292279  6.042023       3.926362  9.539534       7.852723  2.544511       7.852723  31.25442 10.56458  24.61139 10.05480  6.643024       14.58456  
1 1 1 20 8  19 o 31.22857 7.206302  7.585884       4.307562  17.54474       8.615124  -2.372971      8.615124  40.30408 10.56070  22.15305 9.807896  18.15102       14.41260  
1 1 1 20 8  20 o 93.80779 3.757783  89.21990       4.984192  87.14236       9.968384  91.29744       9.968384  92.70044 5.376665  94.91512 5.251209  -2.214684      7.515565  
1 1 1 20 8  21 o 83.52727 5.221520  72.30890       6.146852  65.64266       12.29370  78.97514       12.29370  79.53681 7.728312  87.51773 7.023551  -7.980919      10.44304  
1 1 1 20 8  22 o 71.31420 7.865668  58.32838       7.280923  35.59456       14.56185  81.06221       14.56185  54.94640 13.36122  87.68201 8.303782  -32.73561      15.73134  
1 1 1 20 8  23 o 26.88371 12.27842  -4.765002      14.84775  -4.765002      14.84775  ?              ?         26.88371 12.27842  ?        ?         ?              ?         
1 1 1 20 9  0  o 242.3218 2.883651  587.4866       13.97099  587.4866       13.97099  587.4866       13.97099  242.3218 2.883651  242.3218 2.883651  0.000000       0.000000  
1 1 1 20 9  1  o 751.1553 3.966834  5645.402       42.13691  5574.014       84.27382  5716.792       84.27382  746.4034 5.645327  755.9073 5.574349  -9.503906      7.933668  
1 1 1 20 9  2  o 406.4833 2.348797  1653.208       13.49448  1717.516       26.98897  1588.899       26.98897  414.3936 3.256442  398.5729 3.385700  15.82068       4.697593  
1 1 1 20 9  3  o 224.2743 1.364323  504.1801       4.312327  455.9154       8.624654  552.4448       8.624654  213.5141 2.019692  235.0345 1.834764  -21.52042      2.728647  
1 1 1 20 9  4  o 807.5344 4.217985  6526.113       48.16941  6475.733       96.33881  6576.493       96.33881  804.4150 5.988129  810.6538 5.942044  -6.238770      8.435969  
1 1 1 20 9  5  o 398.2955 2.272288  1586.817       12.79880  1571.755       25.59759  1601.879       25.59759  396.4047 3.228719  400.1864 3.198209  -3.781677      4.544576  
1 1 1 20 9  6  o 159.2732 1.125456  253.7030       2.534981  255.8330       5.069962  251.5730       5.069962  159.9418 1.584940  158.6045 1.598303  1.337296       2.250912  
1 1 1 20 9  7  o 356.4951 2.133480  1271.422       10.75461  1296.309       21.50922  1246.534       21.50922  359.9857 2.987510  353.0045 3.046593  6.981232       4.266960  
1 1 1 20 9  8  o 143.5749 1.292898  206.4008       2.620751  192.5823       5.241503  220.2193       5.241503  138.7626 1.888658  148.3872 1.766157  -9.624603      2.585796  
1 1 1 20 9  9  f 144.3407 1.368871  208.7166       2.787526  225.4227       5.575052  192.0105       5.575052  150.1277 1.856770  138.5536 2.011875  11.57407       2.737743  
1 1 1 20 9  10 o 395.1230 2.231697  1562.168       12.47001  1577.502       24.94002  1546.834       24.94002  397.0634 3.140559  393.1826 3.171557  3.880798       4.463394  
1 1 1 20 9  11 o 49.40518 2.637119  26.12174       1.658221  13.26577       3.316442  38.97771       3.316442  36.39443 4.556249  62.41594 2.656726  -26.02151      5.274239  
1 1 1 20 9  12 o 257.1295 1.640602  661.4442       5.965783  664.1555       11.93157  658.7330       11.93157  257.6568 2.315399  256.6023 2.324914  1.054443       3.281204  
1 1 1 20 9  13 o 234.4939 1.627046  552.1923       5.365392  619.5456       10.73078  484.8389       10.73078  248.8554 2.156028  220.1325 2.437347  28.72287       3.254092  
1 1 1 20 9  14 o 166.2508 1.571247  276.5893       3.692876  267.9647       7.385753  285.2140       7.385753  163.6569 2.256474  168.8447 2.187144  -5.187729      3.142495  
1 1 1 20 9  15 f 231.1538 1.781348  534.7714       5.822832  527.4476       11.64566  542.0952       11.64566  229.5696 2.536412  232.7380 2.501883  -3.168381      3.562697  
1 1 1 20 9  16 o 47.29292 5.079288  24.81137       3.001951  11.24540       6.003902  38.37733       6.003902  32.76644 8.922773  61.81940 4.856002  -29.05297      10.15858  
1 1 1 20 9  17 o 209.5069 1.769060  439.6000       5.241503  439.9622       10.48301  439.2379       10.48301  209.5934 2.500796  209.4205 2.502860  0.1728516      3.538119  
1 1 1 20 9  18 o 143.3570 2.223906  206.2388       4.507692  211.2325       9.015384  201.2451       9.015384  145.0987 3.106638  141.6153 3.183054  3.483398       4.447812  
1 1 1 20 9  19 o 108.2985 3.289549  118.4389       5.027077  109.4426       10.05415  127.4352       10.05415  104.1451 4.826995  112.4520 4.470420  -8.306961      6.579099  
1 1 1 20 9  20 o 65.32314 6.006433  44.26210       5.532167  40.44534       11.06433  48.07887       11.06433  62.40169 8.865413  68.24459 8.106381  -5.842899      12.01287  
1 1 1 20 9  21 o 76.56201 5.716849  61.13498       6.184973  58.42845       12.36995  63.84150       12.36995  74.79447 8.269292  78.32954 7.896092  -3.535072      11.43370  
1 1 1 20 9  22 o 94.27507 4.780892  92.66022       6.323157  79.66131       12.64631  105.6591       12.64631  87.38092 7.236313  101.1692 6.250081  -13.78829      9.561785  
1 1 1 20 9  23 o 44.29060 15.37893  24.95908       16.68704  24.95908       16.68704  ?              ?         44.29060 15.37893  ?        ?         ?              ?         
1 1 1 20 10 0  o 825.5730 8.705976  6822.186       143.7124  6822.186       143.7124  6822.186       143.7124  825.5730 8.705976  825.5730 8.705976  0.000000       0.000000  
1 1 1 20 10 1  o 297.8171 1.681347  888.2821       7.066498  821.7056       14.13300  954.8588       14.13300  286.6397 2.465289  308.9945 2.286933  -22.35486      3.362695  
1 1 1 20 10 2  o 691.1006 3.877264  4779.012       37.89130  4855.823       75.78259  4702.199       75.78259  696.6578 5.439011  685.5434 5.527192  11.11444       7.754527  
1 1 1 20 10 3  o 352.5649 2.008107  1245.290       9.987444  1143.772       19.97489  1346.809       19.97489  338.1678 2.953399  366.9620 2.721656  -28.79425      4.016215  
1 1 1 20 10 4  o 386.8922 2.144909  1497.540       11.73143  1544.852       23.46287  1450.228       23.46287  393.0065 2.985049  380.7778 3.080914  12.22867       4.289819  
1 1 1 20 10 5  o 613.8701 3.296823  3772.338       28.59954  3941.428       57.19909  3603.247       57.19909  627.6426 4.556661  600.0975 4.765816  27.54504       6.593646  
1 1 1 20 10 6  o 359.4763 2.051033  1292.678       10.42582  1314.731       20.85165  1270.626       20.85165  362.5436 2.875743  356.4091 2.925241  6.134583       4.102065  
1 1 1 20 10 7  o 261.7860 1.573110  687.0370       5.803772  621.0608       11.60754  753.0132       11.60754  249.1848 2.329103  274.3872 2.115176  -25.20235      3.146219  
1 1 1 20 10 8  o 603.1368 3.367899  3642.734       28.71390  3515.990       57.42780  3769.479       57.42780  592.6297 4.845168  613.6439 4.679245  -21.01422      6.735799  
1 1 1 20 10 9  o 146.3334 1.219782  214.3727       2.520686  227.6051       5.041372  201.1403       5.041372  150.8547 1.670936  141.8121 1.777484  9.042633       2.439565  
1 1 1 20 10 10 f 133.6498 1.235395  178.6637       2.334851  181.0891       4.669702  176.2384       4.669702  134.5571 1.735211  132.7424 1.758934  1.814728       2.470791  
1 1 1 20 10 11 o 163.2586 1.374604  267.1546       3.163961  291.3036       6.327922  243.0056       6.327922  170.6545 1.854016  155.8626 2.029968  14.79189       2.749208  
1 1 1 20 10 12 o 49.63603 2.684648  25.40223       1.801171  16.86811       3.602341  33.93634       3.602341  41.03933 4.388889  58.23273 3.093055  -17.19340      5.369296  
1 1 1 20 10 13 o 221.9715 1.552027  493.0872       4.869832  510.2459       9.739664  475.9284       9.739664  225.8366 2.156352  218.1064 2.232778  7.730179       3.104054  
1 1 1 20 10 14 o 405.0079 2.332761  1642.139       13.36106  1653.341       26.72213  1630.936       26.72213  406.3909 3.287737  403.6248 3.310268  2.766052       4.665522  
1 1 1 20 10 15 o 218.5811 1.737840  478.2680       5.370157  492.7870       10.74031  463.7491       10.74031  221.9022 2.420055  215.2599 2.494732  6.642365       3.475681  
1 1 1 20 10 16 o 168.5576 1.887112  284.5135       4.498162  280.9159       8.996324  288.1111       8.996324  167.4905 2.685623  169.6248 2.651830  -2.134323      3.774225  
1 1 1 20 10 17 o 156.0522 2.034767  244.1301       4.488632  235.9057       8.977263  252.3545       8.977263  153.4171 2.925770  158.6874 2.828601  -5.270279      4.069535  
1 1 1 20 10 18 o 105.4672 3.011168  113.1497       4.417156  136.5554       8.834313  89.74405       8.834313  116.5634 3.789489  94.37099 4.680630  22.19240       6.022336  
1 1 1 20 10 19 o 42.42799 7.547644  19.51268       4.826947  29.17134       9.653894  9.854024       9.653894  52.28885 9.589088  32.56713 11.65835  19.72172       15.09529  
1 1 1 20 10 20 o 30.33702 8.431891  5.799007       5.455927  0.9720604      10.91185  10.62595       10.91185  26.83724 11.46537  33.83680 12.36658  -6.999563      16.86378  
1 1 1 20 10 21 o 67.17960 5.934587  47.34506       5.613173  52.26254       11.22635  42.42758       11.22635  70.83955 7.923783  63.51965 8.836906  7.319904       11.86917  
1 1 1 20 10 22 o 46.26171 8.804618  25.14015       6.251682  14.54279       12.50336  35.73751       12.50336  36.73247 13.25601  55.79096 11.59152  -19.05849      17.60924  
1 1 1 20 10 23 o 40.74068 15.38285  20.22267       17.12542  20.22267       17.12542  ?              ?         40.74068 15.38285  ?        ?         ?              ?         
1 1 1 20 11 0  o 179.4753 3.142975  322.4382       11.27399  322.4382       11.27399  322.4382       11.27399  179.4753 3.142975  179.4753 3.142975  0.000000       0.000000  
1 1 1 20 11 1  o 682.7006 3.599445  4665.213       34.72733  4868.345       69.45467  4462.081       69.45467  697.5776 4.978275  667.8234 5.200078  29.75421       7.198891  
1 1 1 20 11 2  o 755.0545 4.030076  5704.799       43.03273  5743.829       86.06546  5665.769       86.06546  757.6391 5.679846  752.4699 5.718864  5.169189       8.060152  
1 1 1 20 11 3  o 341.4175 1.939392  1166.716       9.353699  1103.241       18.70740  1230.190       18.70740  332.1217 2.816346  350.7132 2.667051  -18.59149      3.878784  
1 1 1 20 11 4  o 294.0237 1.781253  867.0016       7.376224  776.4189       14.75245  957.5844       14.75245  278.6198 2.647416  309.4277 2.383828  -30.80792      3.562506  
1 1 1 20 11 5  o 404.3809 2.251104  1638.823       12.83692  1781.520       25.67383  1496.125       25.67383  422.0249 3.041744  386.7370 3.319288  35.28793       4.502208  
1 1 1 20 11 6  o 344.8893 1.948592  1192.813       9.468058  1312.691       18.93612  1072.936       18.93612  362.2685 2.613547  327.5102 2.890920  34.75833       3.897185  
1 1 1 20 11 7  o 234.5912 1.455088  551.5537       4.812652  501.8024       9.625304  601.3051       9.625304  223.9873 2.148627  245.1950 1.962785  -21.20772      2.910176  
1 1 1 20 11 8  o 456.3951 2.508431  2084.951       16.18195  2007.124       32.36390  2162.777       32.36390  447.8688 3.613100  464.9214 3.480577  -17.05252      5.016862  
1 1 1 20 11 9  o 247.8874 1.567532  614.7377       5.494047  629.4567       10.98809  600.0186       10.98809  250.8563 2.190118  244.9185 2.243215  5.937805       3.135064  
1 1 1 20 11 10 o 388.1298 2.335768  1507.761       12.81786  1469.288       25.63571  1546.234       25.63571  383.1736 3.345182  393.0859 3.260828  -9.912292      4.671535  
1 1 1 20 11 11 f 374.4216 2.165352  1403.398       11.45983  1455.651       22.91966  1351.145       22.91966  381.3994 3.004679  367.4437 3.118798  13.95569       4.330705  
1 1 1 20 11 12 o 60.99932 2.493202  38.38209       2.053716  25.35934       4.107431  51.40485       4.107431  50.32481 4.080921  71.67383 2.865364  -21.34902      4.986404  
1 1 1 20 11 13 o 125.0840 1.644211  156.7829       2.901886  144.5606       5.803772  169.0051       5.803772  120.1984 2.414246  129.9697 2.232742  -9.771210      3.288422  
1 1 1 20 11 14 o 180.4143 1.628643  325.7022       4.155082  330.2909       8.310163  321.1135       8.310163  181.6860 2.286957  179.1426 2.319427  2.543411       3.257286  
1 1 1 20 11 15 o 52.00193 3.932082  27.72278       2.801821  35.55644       5.603642  19.88912       5.603642  59.53402 4.706253  44.46984 6.300498  15.06418       7.864165  
1 1 1 20 11 16 o 185.0541 1.804168  343.1087       4.717352  359.9196       9.434704  326.2978       9.434704  189.5963 2.488104  180.5119 2.613318  9.084320       3.608337  
1 1 1 20 11 17 o 190.2994 1.939645  363.0407       5.217677  350.4373       10.43535  375.6442       10.43535  186.9879 2.790382  193.6108 2.694930  -6.622955      3.879289  
1 1 1 20 11 18 o 32.30072 7.550959  9.711073       4.274207  15.59109       8.548413  3.831062       8.548413  38.15615 10.74610  26.44529 10.61081  11.71086       15.10192  
1 1 1 20 11 19 f 32.02217 7.535773  9.001088       4.426687  16.83952       8.853374  1.162660       8.853374  39.37687 10.88519  24.66747 10.42420  14.70941       15.07155  
1 1 1 20 11 20 o 70.92250 4.884897  51.57161       4.893657  48.72691       9.787313  54.41632       9.787313  68.91700 7.100798  72.92801 6.710257  -4.011009      9.769794  
1 1 1 20 11 21 o 27.25828 7.707147  -7.500113      5.875248  -30.19105      11.75050  15.19082       11.75050  16.81723 8.402280  37.69934 12.92293  -20.88211      15.41429  
1 1 1 20 11 22 o 30.09380 8.768069  -1.010180      6.990257  -18.15466      13.98051  16.13430       13.98051  21.86131 10.56170  38.32629 13.99881  -16.46498      17.53614  
1 1 1 20 11 23 o 46.38773 13.99203  28.00868       14.05676  28.00868       14.05676  ?              ?         46.38773 13.99203  ?        ?         ?              ?         
1 1 1 20 12 0  o 236.3063 2.896601  558.7060       13.68509  558.7060       13.68509  558.7060       13.68509  236.3063 2.896601  236.3063 2.896601  0.000000       0.000000  
1 1 1 20 12 1  o 87.60622 1.162014  78.31757       1.396145  56.39856       2.792291  100.2366       2.792291  75.09626 1.859141  100.1162 1.394525  -25.01992      2.324028  
1 1 1 20 12 2  o 366.0325 2.024226  1340.052       10.47824  1347.752       20.95648  1332.352       20.95648  367.0844 2.854450  364.9807 2.870903  2.103729       4.048452  
1 1 1 20 12 3  o 227.1936 1.416414  516.2451       4.550577  523.7785       9.101154  508.7116       9.101154  228.8515 1.988441  225.5356 2.017675  3.315872       2.832827  
1 1 1 20 12 4  o 477.9249 2.594178  2285.624       17.52568  2205.653       35.05135  2365.595       35.05135  469.5585 3.732374  486.2914 3.603945  -16.73294      5.188356  
1 1 1 20 12 5  o 500.2222 2.767717  2503.856       19.57463  2567.745       39.14925  2439.967       39.14925  506.6082 3.863859  493.8361 3.963790  12.77213       5.535435  
1 1 1 20 12 6  o 117.6953 1.085043  138.5377       1.805936  137.0510       3.611871  140.0244       3.611871  117.0637 1.542695  118.3269 1.526227  -1.263168      2.170087  
1 1 1 20 12 7  o 244.4835 1.570398  598.3794       5.422573  563.0517       10.84515  633.7072       10.84515  237.2586 2.285512  251.7085 2.154307  -14.44994      3.140796  
1 1 1 20 12 8  o 338.3344 1.946347  1146.469       9.296518  1068.218       18.59304  1224.720       18.59304  326.7703 2.844971  349.8986 2.656918  -23.12827      3.892695  
1 1 1 20 12 9  o 377.5854 2.250862  1429.329       11.98398  1555.602       23.96796  1303.056       23.96796  394.3064 3.039256  360.8643 3.320910  33.44211       4.501724  
1 1 1 20 12 10 o 98.17805 1.496854  97.03451       2.058481  112.4350       4.116962  81.63402       4.116962  106.0212 1.941575  90.33491 2.278721  15.68628       2.993707  
1 1 1 20 12 11 o 278.9451 1.750457  778.5441       6.904487  764.4111       13.80897  792.6771       13.80897  276.4118 2.497899  281.4784 2.452937  -5.066589      3.500913  
1 1 1 20 12 12 o 121.6900 1.544370  149.3447       2.625516  122.6321       5.251032  176.0573       5.251032  110.7143 2.371433  132.6657 1.979046  -21.95136      3.088740  
1 1 1 20 12 13 o 117.8601 1.742569  139.2286       2.897121  127.7878       5.794242  150.6694       5.794242  113.0065 2.563676  122.7136 2.360880  -9.707077      3.485138  
1 1 1 20 12 14 o 129.9109 1.700791  169.3624       3.111546  151.4508       6.223093  187.2741       6.223093  123.0171 2.529361  136.8047 2.274444  -13.78764      3.401583  
1 1 1 20 12 15 o 85.18430 2.488991  72.72346       2.997186  75.16314       5.994372  70.28378       5.994372  86.61630 3.460303  83.75230 3.578632  2.864006       4.977982  
1 1 1 20 12 16 o 179.5308 1.888674  322.8718       4.793592  313.0892       9.587184  332.6543       9.587184  176.8064 2.711210  182.2553 2.630152  -5.448959      3.777349  
1 1 1 20 12 17 o 55.15967 5.061464  31.10117       3.907302  36.17590       7.814603  26.02644       7.814603  59.75970 6.538355  50.55964 7.728104  9.200066       10.12293  
1 1 1 20 12 18 o 171.0843 2.212148  293.9434       5.346332  309.8871       10.69266  277.9998       10.69266  175.7439 3.042116  166.4247 3.212463  9.319199       4.424295  
1 1 1 20 12 19 o 82.74700 4.146903  69.70721       4.841242  64.25129       9.682484  75.16314       9.682484  79.45025 6.093426  86.04375 5.626489  -6.593506      8.293806  
1 1 1 20 12 20 o 85.66078 4.999393  75.30133       6.056317  74.86771       12.11263  75.73495       12.11263  85.40768 7.091069  85.91388 7.049289  -0.5062027     9.998787  
1 1 1 20 12 21 o 100.7807 4.810734  105.5210       6.766303  86.44666       13.53261  124.5953       13.53261  91.31747 7.409648  110.2440 6.137570  -18.92654      9.621468  
1 1 1 20 12 22 o 28.34182 8.797585  -4.941308      7.404812  9.758724       14.80962  -19.64134      14.80962  34.36456 13.89228  22.31907 10.79790  12.04550       17.59517  
1 1 1 20 12 23 o 28.52153 12.78496  1.591511       15.11459  1.591511       15.11459  ?              ?         28.52153 12.78496  ?        ?         ?              ?         
1 1 1 20 13 0  o 106.0765 2.126641  112.6637       4.507692  112.6637       4.507692  112.6637       4.507692  106.0765 2.126641  106.0765 2.126641  0.000000       0.000000  
1 1 1 20 13 1  o 286.5048 1.652315  820.9525       6.694828  819.9615       13.38966  821.9437       13.38966  286.3318 2.338136  286.6778 2.335315  -0.3459473     3.304630  
1 1 1 20 13 2  o 258.9199 1.576131  670.5406       5.770417  657.1033       11.54083  683.9778       11.54083  256.3250 2.251212  261.5147 2.206536  -5.189758      3.152262  
1 1 1 20 13 3  o 577.1403 3.159973  3332.900       25.78819  3396.217       51.57638  3269.583       51.57638  582.6257 4.426202  571.6548 4.511147  10.97089       6.319945  
1 1 1 20 13 4  o 159.8446 1.151510  255.9235       2.596926  235.6960       5.193852  276.1509       5.193852  153.5174 1.691617  166.1718 1.562796  -12.65443      2.303020  
1 1 1 20 13 5  o 468.0029 2.562422  2193.788       16.93005  2342.980       33.86010  2044.596       33.86010  483.9421 3.498363  452.0636 3.745060  31.87851       5.124843  
1 1 1 20 13 6  o 156.4679 1.239838  245.0688       2.739876  259.6068       5.479752  230.5308       5.479752  161.1136 1.700587  151.8222 1.804661  9.291367       2.479676  
1 1 1 20 13 7  o 217.8600 1.410969  475.8712       4.331387  429.0884       8.662774  522.6540       8.662774  207.1231 2.091214  228.5968 1.894771  -21.47379      2.821938  
1 1 1 20 13 8  o 321.8292 1.847853  1036.111       8.410229  1035.892       16.82046  1036.331       16.82046  321.7951 2.613535  321.8632 2.612982  -0.6811523E-01 3.695706  
1 1 1 20 13 9  o 203.5100 1.349350  414.2550       3.883476  416.5088       7.766953  412.0012       7.766953  204.0637 1.903070  202.9563 1.913455  1.107483       2.698701  
1 1 1 20 13 10 o 190.6842 1.411306  366.0570       3.769116  424.4949       7.538233  307.6190       7.538233  206.0074 1.829602  175.3609 2.149348  30.64645       2.822613  
1 1 1 20 13 11 o 176.3462 1.392877  311.0784       3.473686  309.6870       6.947372  312.4698       6.947372  175.9517 1.974227  176.7407 1.965414  -0.7890015     2.785753  
1 1 1 20 13 12 o 190.7127 1.478836  364.1510       3.983541  343.1087       7.967083  385.1932       7.967083  185.1959 2.150988  196.2294 2.030043  -11.03348      2.957672  
1 1 1 20 13 13 o 272.0583 1.767965  741.1198       6.794893  701.4464       13.58979  780.7933       13.58979  264.7670 2.566367  279.3496 2.432397  -14.58267      3.535930  
1 1 1 20 13 14 o 90.59942 2.208935  83.47807       2.763701  104.1248       5.527402  62.83132       5.527402  101.9939 2.709672  79.20489 3.489306  22.78906       4.417871  
1 1 1 20 13 15 o 208.1428 1.685120  433.9011       4.955602  455.6580       9.911204  412.1441       9.911204  213.3692 2.322548  202.9163 2.442190  10.45290       3.370241  
1 1 1 20 13 16 o 111.6308 2.352619  124.9526       3.711936  120.0685       7.423873  129.8368       7.423873  109.4432 3.391655  113.8185 3.261279  -4.375244      4.705238  
1 1 1 20 13 17 o 46.84889 6.348715  24.10138       4.074077  11.26446       8.148153  36.93829       8.148153  33.33092 10.75535  60.36686 6.748863  -27.03593      12.69743  
1 1 1 20 13 18 o 59.37376 4.950859  35.96147       4.145552  38.99678       8.291104  32.92616       8.291104  61.92986 6.693947  56.81766 7.296238  5.112202       9.901718  
1 1 1 20 13 19 o 91.62114 3.840078  85.50797       4.946072  96.09102       9.892144  74.92489       9.892144  97.39659 5.078281  85.84569 5.761585  11.55090       7.680156  
1 1 1 20 13 20 o 29.79729 8.475572  3.878712       5.765652  -3.230671      11.53130  10.98809       11.53130  25.17009 11.22775  34.42448 12.69957  -9.254389      16.95114  
1 1 1 20 13 21 o 58.46228 8.653647  39.35415       7.104619  53.69204       14.20924  25.01626       14.20924  70.74014 10.04326  46.18441 14.09522  24.55573       17.30729  
1 1 1 20 13 22 o 97.78075 6.061295  102.2665       8.381639  102.7906       16.76328  101.7423       16.76328  98.04877 8.548437  97.51273 8.595430  0.5360413      12.12259  
1 1 1 20 13 23 o 62.08491 8.889194  51.30001       7.533468  54.82611       15.06694  47.77391       15.06694  64.93755 12.05274  59.23227 13.06915  5.705276       17.77839  
1 1 1 20 14 0  o 137.2934 2.166906  188.6464       5.946723  188.6464       5.946723  188.6464       5.946723  137.2934 2.166906  137.2934 2.166906  0.000000       0.000000  
1 1 1 20 14 1  o 256.9286 1.579124  660.6246       5.732297  693.9463       11.46459  627.3030       11.46459  263.4133 2.176161  250.4441 2.288854  12.96921       3.158248  
1 1 1 20 14 2  o 434.0707 2.397053  1886.402       14.69527  1774.401       29.39053  1998.403       29.39053  421.1694 3.489158  446.9720 3.287738  -25.80258      4.794105  
1 1 1 20 14 3  o 533.7341 2.998907  2851.234       22.62423  2744.393       45.24846  2958.075       45.24846  523.7253 4.319866  543.7429 4.160833  -20.01758      5.997814  
1 1 1 20 14 4  o 237.5972 1.542085  564.7623       5.179556  583.1028       10.35911  546.4219       10.35911  241.4567 2.145128  233.7376 2.215971  7.719162       3.084170  
1 1 1 20 14 5  o 371.6906 2.135726  1382.017       11.22635  1388.617       22.45269  1375.418       22.45269  372.5784 3.013150  370.8029 3.027578  1.775513       4.271451  
1 1 1 20 14 6  o 210.6084 1.382760  443.7455       4.116962  457.6784       8.233924  429.8127       8.233924  213.9161 1.924568  207.3006 1.985987  6.615540       2.765521  
1 1 1 20 14 7  o 191.1543 1.318763  365.5186       3.564222  374.6340       7.128443  356.4031       7.128443  193.5387 1.841607  188.7700 1.888129  4.768631       2.637527  
1 1 1 20 14 8  o 192.4973 1.372276  370.6314       3.735762  371.9751       7.471523  369.2877       7.471523  192.8464 1.937170  192.1483 1.944208  0.6980743      2.744553  
1 1 1 20 14 9  o 189.7080 1.348336  360.6582       3.607106  329.2616       7.214212  392.0548       7.214212  181.4330 1.988120  197.9830 1.821928  -16.54997      2.696673  
1 1 1 20 14 10 o 188.6247 1.463032  355.9171       3.902537  359.9006       7.805074  351.9335       7.805074  189.6807 2.057425  187.5688 2.080590  2.111893       2.926064  
1 1 1 20 14 11 o 93.47182 1.766317  87.41396       2.334851  87.90475       4.669702  86.92316       4.669702  93.73435 2.490923  93.20928 2.504956  0.5250702      3.532634  
1 1 1 20 14 12 o 146.9779 1.462841  216.1357       3.040071  211.3374       6.080142  220.9341       6.080142  145.3456 2.091616  148.6102 2.045668  -3.264664      2.925682  
1 1 1 20 14 13 o 82.96941 2.352188  69.24501       2.739876  59.63876       5.479752  78.85126       5.479752  77.18037 3.549965  88.75843 3.086891  -11.57806      4.704375  
1 1 1 20 14 14 o 79.33303 2.570812  63.13151       2.878061  58.35221       5.756122  67.91080       5.756122  76.32085 3.771003  82.34521 3.495117  -6.024353      5.141624  
1 1 1 20 14 15 o 47.77866 4.455811  23.11979       2.982891  26.71260       5.965783  19.52698       5.965783  51.53851 5.787694  44.01881 6.776402  7.519703       8.911622  
1 1 1 20 14 16 o 216.0542 1.859412  467.5800       5.679882  455.2292       11.35976  479.9310       11.35976  213.1959 2.664161  218.9125 2.594590  -5.716568      3.718824  
1 1 1 20 14 17 f 70.85452 3.856744  51.71933       3.740526  36.93829       7.481052  66.50037       7.481052  60.42396 6.190469  81.28506 4.601739  -20.86110      7.713489  
1 1 1 20 14 18 o 87.35216 3.618638  77.27879       4.450512  68.98770       8.901024  85.56991       8.901024  82.60636 5.387614  92.09795 4.832368  -9.491585      7.237276  
1 1 1 20 14 19 o 68.87868 5.366757  48.79361       5.227207  49.55602       10.45441  48.03122       10.45441  69.43212 7.528514  68.32525 7.650476  1.106873       10.73351  
1 1 1 20 14 20 o 87.99974 4.597094  79.98056       5.636997  95.35722       11.27399  64.60390       11.27399  96.73650 5.827167  79.26298 7.111766  17.47353       9.194188  
1 1 1 20 14 21 o 22.62185 7.573485  -12.35089      6.442283  -10.07321      12.88457  -14.62856      12.88457  23.37864 10.95501  21.86505 10.46033  1.513590       15.14697  
1 1 1 20 14 22 o 53.42735 10.00565  35.67557       7.714538  32.19235       15.42908  39.15878       15.42908  50.50303 14.50634  56.35167 13.78472  -5.848648      20.01131  
1 1 1 20 15 0  o 297.7156 3.426134  886.8431       20.39421  886.8431       20.39421  886.8431       20.39421  297.7156 3.426134  297.7156 3.426134  0.000000       0.000000  
1 1 1 20 15 1  o 319.2274 1.961216  1019.701       8.848608  978.5503       17.69722  1060.851       17.69722  312.7820 2.829002  325.6727 2.717025  -12.89072      3.922432  
1 1 1 20 15 2  o 340.4778 1.934351  1160.183       9.306048  1215.714       18.61210  1104.651       18.61210  348.6328 2.669299  332.3229 2.800303  16.30984       3.868702  
1 1 1 20 15 3  o 445.3928 2.434164  1984.814       15.32901  2032.445       30.65802  1937.183       30.65802  450.7399 3.400855  440.0457 3.483504  10.69418       4.868328  
1 1 1 20 15 4  o 140.9946 1.261558  201.0688       2.473036  243.3867       4.946072  158.7508       4.946072  156.0016 1.585264  125.9876 1.962919  30.01391       2.523116  
1 1 1 20 15 5  o 506.3794 2.796015  2565.968       20.02254  2587.472       40.04508  2544.463       40.04508  508.5028 3.937547  504.2561 3.970709  4.246704       5.592031  
1 1 1 20 15 6  o 407.1552 2.279865  1658.969       13.12282  1710.445       26.24563  1607.492       26.24563  413.4767 3.173774  400.8337 3.273880  12.64291       4.559730  
1 1 1 20 15 7  o 352.8616 2.064812  1245.814       10.30193  1273.609       20.60387  1218.020       20.60387  356.8000 2.887313  348.9232 2.952493  7.876801       4.129624  
1 1 1 20 15 8  o 239.1738 1.512875  573.5823       5.098552  630.0000       10.19710  517.1647       10.19710  250.9680 2.031554  227.3795 2.242310  23.58856       3.025751  
1 1 1 20 15 9  o 200.0056 1.425314  400.7891       4.021661  368.4872       8.043323  433.0910       8.043323  191.9304 2.095376  208.0809 1.932740  -16.15054      2.850628  
1 1 1 20 15 10 o 225.7236 1.592823  510.0554       5.079492  483.6000       10.15898  536.5107       10.15898  219.8635 2.310293  231.5837 2.193372  -11.72020      3.185645  
1 1 1 20 15 11 o 152.9848 1.458010  234.1236       3.154431  235.0957       6.308862  233.1516       6.308862  153.3025 2.057651  152.6671 2.066215  0.6353912      2.916020  
1 1 1 20 15 12 o 214.0470 1.568791  459.7988       4.726882  408.8562       9.453763  510.7415       9.453763  202.1472 2.338337  225.9469 2.092032  -23.79973      3.137582  
1 1 1 20 15 13 o 85.15170 2.394536  72.84734       2.868531  64.28941       5.737062  81.40529       5.737062  80.12658 3.579999  90.17681 3.181008  -10.05023      4.789072  
1 1 1 20 15 14 o 337.0135 2.094521  1137.458       9.977915  1096.951       19.95583  1177.966       19.95583  331.0037 3.014442  343.0232 2.908816  -12.01950      4.189042  
1 1 1 20 15 15 o 153.5505 1.850441  237.4353       3.983541  201.5691       7.967083  273.3015       7.967083  141.8716 2.807851  165.2295 2.410915  -23.35789      3.700883  
1 1 1 20 15 16 o 58.58477 4.288259  34.77022       3.530867  30.35306       7.061733  39.18738       7.061733  54.81488 6.441437  62.35466 5.662555  -7.539772      8.576517  
1 1 1 20 15 17 o 168.2653 2.064139  284.2752       4.903187  303.7403       9.806375  264.8102       9.806375  174.0493 2.817125  162.4812 3.017694  11.56805       4.128277  
1 1 1 20 15 18 o 54.36248 6.191036  32.67362       4.331387  17.03965       8.662774  48.30759       8.662774  39.73469 10.67236  68.99026 6.278257  -29.25558      12.38207  
1 1 1 20 15 19 o 65.90215 5.721576  45.19128       5.255797  36.66193       10.51159  53.72063       10.51159  59.43092 8.843540  72.37337 7.262059  -12.94245      11.44315  
1 1 1 20 15 20 o 56.32055 7.178439  37.58157       5.727532  66.68143       11.45506  8.481703       11.45506  80.43114 7.121038  32.20995 12.46639  48.22120       14.35688  
1 1 1 20 15 21 f 41.53801 9.089566  18.92182       6.447048  30.08623       12.89410  7.757423       12.89410  50.80058 12.70978  32.27543 12.99779  18.52515       18.17913  
1 1 1 20 15 22 o 141.9406 3.699421  207.6731       7.400048  188.2081       14.80010  227.1381       14.80010  135.0838 5.478116  148.7973 4.973240  -13.71350      7.398843  
1 1 1 20 16 0  f 53.35796 3.340097  28.80920       3.535631  28.80920       3.535631  28.80920       3.535631  53.35796 3.340097  53.35796 3.340097  0.000000       0.000000  
1 1 1 20 16 1  o 166.6700 1.187725  278.2952       2.792291  301.4054       5.584582  255.1849       5.584582  173.6029 1.608436  159.7371 1.748055  13.86588       2.375449  
1 1 1 20 16 2  o 470.5471 2.617579  2217.422       17.39226  2076.273       34.78452  2358.571       34.78452  455.5487 3.817870  485.5455 3.582004  -29.99677      5.235158  
1 1 1 20 16 3  o 191.4318 1.373342  366.5954       3.716702  377.7217       7.433403  355.4691       7.433403  194.3378 1.912495  188.5257 1.971456  5.812119       2.746685  
1 1 1 20 16 4  o 254.9129 1.614834  650.5562       5.813303  690.3820       11.62661  610.7303       11.62661  262.7246 2.212698  247.1013 2.352599  15.62334       3.229668  
1 1 1 20 16 5  o 208.5720 1.393384  435.2829       4.107431  417.5190       8.214863  453.0468       8.214863  204.3136 2.010357  212.8305 1.929908  -8.516937      2.786768  
1 1 1 20 16 6  o 187.6682 1.322443  352.4386       3.507041  368.5729       7.014082  336.3043       7.014082  191.9668 1.826900  183.3696 1.912554  8.597229       2.644886  
1 1 1 20 16 7  o 288.1300 1.739786  831.1260       7.080793  877.9135       14.16159  784.3384       14.16159  296.2492 2.390148  280.0108 2.528757  16.23837       3.479571  
1 1 1 20 16 8  o 323.7733 1.927834  1048.958       8.824783  1077.586       17.64957  1020.330       17.64957  328.1943 2.688890  319.3522 2.763339  8.842041       3.855668  
1 1 1 20 16 9  o 287.2732 1.783966  825.6510       7.247568  821.3719       14.49514  829.9298       14.49514  286.5284 2.529441  288.0179 2.516360  -1.489502      3.567932  
1 1 1 20 16 10 o 174.1532 1.520979  303.7021       3.740526  284.7375       7.481052  322.6669       7.481052  168.7084 2.217155  179.5980 2.082721  -10.88966      3.041958  
1 1 1 20 16 11 o 98.22691 1.725614  96.92490       2.382501  109.2424       4.765002  84.60737       4.765002  104.4968 2.279974  91.95698 2.590887  12.53987       3.451228  
1 1 1 20 16 12 o 57.27470 2.774008  32.87851       2.244316  34.69875       4.488632  31.05828       4.488632  58.86374 3.812731  55.68566 4.030330  3.178078       5.548015  
1 1 1 20 16 13 f 118.4677 1.806430  140.7725       3.016246  154.1002       6.032492  127.4447       6.032492  124.0927 2.430639  112.8427 2.672966  11.25008       3.612859  
1 1 1 20 16 14 o 206.5600 1.711987  427.1920       4.998487  411.4008       9.996975  442.9832       9.996975  202.7376 2.465496  210.3825 2.375905  -7.644852      3.423973  
1 1 1 20 16 15 o 172.8173 1.784700  299.3469       4.355212  318.3307       8.710423  280.3632       8.710423  178.3098 2.442498  167.3249 2.602848  10.98488       3.569399  
1 1 1 20 16 16 o 172.1924 1.970108  297.3171       4.793592  283.4223       9.587184  311.2118       9.587184  168.1577 2.850653  176.2270 2.720123  -8.069321      3.940215  
1 1 1 20 16 17 o 80.14497 3.809426  65.26147       4.278972  75.21079       8.557944  55.31214       8.557944  86.35205 4.955264  73.93790 5.787251  12.41415       7.618853  
1 1 1 20 16 18 o 43.78947 6.826136  20.70870       4.593462  35.17524       9.186924  6.242152       9.186924  58.58402 7.840811  28.99492 11.17615  29.58910       13.65227  
1 1 1 20 16 19 o 40.60969 8.675808  18.00218       5.422573  15.89605       10.84515  20.10831       10.84515  38.55474 12.40505  42.66464 12.13232  -4.109901      17.35162  
1 1 1 20 16 20 o 116.0366 3.829315  137.2559       6.280273  142.5593       12.56055  131.9524       12.56055  118.3219 5.307786  113.7514 5.521052  4.570503       7.658630  
1 1 1 20 16 21 o 122.2704 4.034260  153.5284       6.966432  144.5320       13.93286  162.5247       13.93286  118.5916 5.874308  125.9493 5.531141  -7.357735      8.068520  
1 1 1 20 16 22 o 46.44583 14.32754  27.08427       14.62856  27.08427       14.62856  ?              ?         46.44583 14.32754  ?        ?         ?              ?         
1 1 1 20 17 0  o 128.4264 2.595863  165.1550       6.661473  165.1550       6.661473  165.1550       6.661473  128.4264 2.595863  128.4264 2.595863  0.000000       0.000000  
1 1 1 20 17 1  o 154.0179 1.094367  237.6307       2.377736  218.2657       4.755472  256.9956       4.755472  147.7313 1.609500  160.3045 1.483262  -12.57320      2.188734  
1 1 1 20 17 2  o 734.6484 3.898088  5404.670       40.48346  5231.029       80.96691  5578.312       80.96691  722.8304 5.600685  746.4664 5.423346  -23.63599      7.796175  
1 1 1 20 17 3  o 378.5136 2.240584  1434.113       11.98398  1501.157       23.96796  1367.070       23.96796  387.3698 3.093679  369.6575 3.241915  17.71234       4.481168  
1 1 1 20 17 4  o 273.1417 1.701085  746.2661       6.570938  743.7596       13.14188  748.7725       13.14188  272.6829 2.409736  273.6005 2.401654  -0.9176331     3.402171  
1 1 1 20 17 5  o 259.7902 1.628092  675.5534       5.975312  639.8445       11.95062  711.2623       11.95062  252.9175 2.362554  266.6628 2.240775  -13.74530      3.256184  
1 1 1 20 17 6  o 327.9103 1.921554  1079.535       8.862904  950.5035       17.72581  1208.567       17.72581  308.2355 2.875367  347.5852 2.549851  -39.34964      3.843108  
1 1 1 20 17 7  o 339.0019 1.988605  1150.052       9.530005  1112.657       19.06001  1187.448       19.06001  333.4863 2.857690  344.5174 2.766189  -11.03113      3.977209  
1 1 1 20 17 8  o 167.3372 1.342239  280.2584       3.173491  266.3827       6.346982  294.1340       6.346982  163.1912 1.944646  171.4832 1.850613  -8.292038      2.684477  
1 1 1 20 17 9  o 178.0056 1.414026  319.2361       3.521337  265.4487       7.042673  373.0234       7.042673  162.8973 2.161691  193.1140 1.823450  -30.21664      2.828052  
1 1 1 20 17 10 o 302.3606 1.873631  915.2234       8.005203  957.7177       16.01041  872.7292       16.01041  309.3877 2.587435  295.3335 2.710564  14.05417       3.747262  
1 1 1 20 17 11 f 326.5968 2.061113  1067.770       9.515709  1031.566       19.03142  1103.975       19.03142  321.0541 2.963895  332.1395 2.864974  -11.08536      4.122226  
1 1 1 20 17 12 o 229.2405 1.757122  526.8329       5.679882  573.2106       11.35976  480.4551       11.35976  239.3560 2.372985  219.1250 2.592074  20.23106       3.514243  
1 1 1 20 17 13 o 169.7061 1.696504  288.3207       4.069312  299.5185       8.138623  277.1230       8.138623  173.0052 2.352132  166.4069 2.445398  6.598328       3.393007  
1 1 1 20 17 14 o 194.2383 1.739988  378.6700       4.760237  417.9669       9.520474  339.3730       9.520474  204.3540 2.329408  184.1227 2.585362  20.23129       3.479976  
1 1 1 20 17 15 o 86.29588 2.866493  75.88741       3.416506  94.56622       6.833013  57.20861       6.833013  97.11842 3.517877  75.47334 4.526773  21.64508       5.732986  
1 1 1 20 17 16 o 28.59304 6.442098  4.784062       3.764351  -6.642413      7.528703  16.21054       7.528703  18.23225 8.490093  38.95383 9.691277  -20.72159      12.88420  
1 1 1 20 17 17 o 73.70271 4.125152  55.42175       4.245616  45.44859       8.491233  65.39489       8.491233  66.93691 6.342714  80.46851 5.276123  -13.53159      8.250303  
1 1 1 20 17 18 o 120.6251 2.890614  146.6953       4.927012  139.8623       9.854024  153.5284       9.854024  117.7928 4.182780  123.4574 3.990859  -5.664665      5.781229  
1 1 1 20 17 19 o 86.47087 4.568668  76.39728       5.584582  73.88612       11.16916  78.90842       11.16916  85.01884 6.568641  87.92289 6.351682  -2.904045      9.137336  
1 1 1 20 17 20 o 67.27011 6.434757  47.77867       6.108732  44.38123       12.21746  51.17612       12.21746  64.74489 9.435081  69.79534 8.752350  -5.050453      12.86951  
1 1 1 20 17 21 o 37.41038 9.644232  15.13365       6.632883  14.78104       13.26577  15.48626       13.26577  37.13930 13.62932  37.68146 13.64868  -0.5421600     19.28846  
1 1 1 20 17 22 o 80.03648 6.730772  70.70786       7.585882  63.86055       15.17176  77.55517       15.17176  75.75886 10.01320  84.31410 8.997170  -8.555244      13.46154  
1 1 1 20 18 0  o 33.03239 5.319641  11.56942       3.287851  11.56942       3.287851  11.56942       3.287851  33.03239 5.319641  33.03239 5.319641  0.000000       0.000000  
1 1 1 20 18 1  o 470.5843 2.613122  2220.472       17.33508  2424.748       34.67015  2016.196       34.67015  492.2887 3.521323  448.8798 3.861853  43.40891       5.226243  
1 1 1 20 18 2  o 250.5672 1.672851  628.0082       5.927662  622.3950       11.85532  633.6213       11.85532  249.4471 2.376320  251.6873 2.355169  -2.240204      3.345701  
1 1 1 20 18 3  o 227.1955 1.458352  517.1075       4.674467  558.4487       9.348933  475.7664       9.348933  236.2936 1.978245  218.0973 2.143294  18.19629       2.916704  
1 1 1 20 18 4  o 417.1474 2.408816  1742.352       14.19494  1648.424       28.38988  1836.279       28.38988  405.8890 3.497247  428.4057 3.313434  -22.51669      4.817632  
1 1 1 20 18 5  o 303.7971 1.807987  923.2953       7.766953  908.2665       15.53391  938.3242       15.53391  301.3236 2.577612  306.2706 2.535978  -4.946991      3.615974  
1 1 1 20 18 6  o 46.66247 2.426088  22.00478       1.577215  26.35046       3.154431  17.65910       3.154431  51.31898 3.073357  42.00596 3.754742  9.313015       4.852176  
1 1 1 20 18 7  o 387.5552 2.216950  1502.896       12.15075  1506.884       24.30151  1498.907       24.30151  388.0698 3.131075  387.0406 3.139400  1.029114       4.433899  
1 1 1 20 18 8  o 184.6010 1.432977  340.9073       3.740526  347.1971       7.481052  334.6175       7.481052  186.3047 2.007747  182.8974 2.045150  3.407242       2.865953  
1 1 1 20 18 9  o 101.6443 1.521358  104.5537       2.149016  82.27251       4.298031  126.8348       4.298031  90.68391 2.369787  112.6046 1.908461  -21.92072      3.042715  
1 1 1 20 18 10 o 231.5208 1.553851  537.1301       5.074727  493.0538       10.14945  581.2064       10.14945  222.0019 2.285893  241.0396 2.105350  -19.03770      3.107701  
1 1 1 20 18 11 o 185.5436 1.506572  344.8718       3.945422  319.8936       7.890843  369.8499       7.890843  178.8126 2.206457  192.2747 2.051971  -13.46214      3.013144  
1 1 1 20 18 12 o 170.9883 1.830735  293.0000       4.417156  315.4908       8.834313  270.5092       8.834313  177.5650 2.487629  164.4115 2.686647  13.15343       3.661470  
1 1 1 20 18 13 o 165.2056 1.644031  273.5874       3.831062  250.8488       7.662123  296.3259       7.662123  158.3237 2.419765  172.0875 2.226229  -13.76381      3.288063  
1 1 1 20 18 14 o 142.5010 1.875405  204.1899       3.754822  230.9883       7.509643  177.3915       7.509643  151.9038 2.471841  133.0981 2.821094  18.80574       3.750809  
1 1 1 20 18 15 o 222.0177 1.884876  493.6733       5.918132  494.7216       11.83626  492.6250       11.83626  222.2538 2.662781  221.7816 2.668451  0.4721832      3.769752  
1 1 1 20 18 16 o 140.5175 2.263156  198.1717       4.493397  207.7731       8.986794  188.5702       8.986794  143.9340 3.121846  137.1010 3.277435  6.832932       4.526312  
1 1 1 20 18 17 o 113.2273 2.846461  129.2983       4.541047  116.5329       9.082094  142.0638       9.082094  107.5902 4.220688  118.8644 3.820360  -11.27417      5.692922  
1 1 1 20 18 18 o 27.54680 7.474787  0.4193203      4.936542  -12.78926      9.873084  13.62791       9.873084  19.03773 9.119446  36.05587 11.84591  -17.01815      14.94957  
1 1 1 20 18 19 o 133.5997 3.251850  180.9652       6.118262  162.0863       12.23652  199.8442       12.23652  126.5342 4.835264  140.6652 4.349522  -14.13097      6.503700  
1 1 1 20 18 20 o 35.62827 9.441248  12.10311       6.423223  12.25558       12.84645  11.95062       12.84645  35.74313 13.36046  35.51342 13.34342  0.2297173      18.88250  
1 1 1 20 18 21 o 81.90251 5.981607  71.40356       6.928313  71.13195       13.85663  71.67516       13.85663  81.73671 8.476378  82.06832 8.442127  -0.3316116     11.96321  
1 1 1 20 19 0  o 229.4243 3.447384  526.8567       15.81028  526.8567       15.81028  526.8567       15.81028  229.4243 3.447384  229.4243 3.447384  0.000000       0.000000  
1 1 1 20 19 1  o 298.3074 1.800422  890.1453       7.595412  887.1290       15.19082  893.1614       15.19082  297.8018 2.550493  298.8129 2.541862  -1.011139      3.600844  
1 1 1 20 19 2  o 315.1741 1.873438  993.8412       8.348284  1019.386       16.69657  968.2960       16.69657  319.2267 2.615158  311.1216 2.683287  8.105103       3.746876  
1 1 1 20 19 3  o 442.2258 2.493531  1958.297       15.57679  1850.384       31.15358  2066.209       31.15358  430.0247 3.622301  454.4270 3.427788  -24.40225      4.987062  
1 1 1 20 19 4  o 191.3144 1.468635  366.6478       3.964482  338.1150       7.928963  395.1807       7.928963  183.8573 2.156281  198.7715 1.994493  -14.91412      2.937269  
1 1 1 20 19 5  o 195.0963 1.319361  381.0143       3.635697  402.9286       7.271393  359.1001       7.271393  200.7125 1.811395  189.4800 1.918776  11.23254       2.638722  
1 1 1 20 19 6  o 199.0578 1.432881  398.0634       4.007367  345.7104       8.014733  450.4166       8.014733  185.9075 2.155570  212.2080 1.888415  -26.30043      2.865762  
1 1 1 20 19 7  o 129.8661 1.363022  168.7716       2.501626  175.9048       5.003252  161.6384       5.003252  132.6125 1.886418  127.1198 1.967929  5.492729       2.726044  
1 1 1 20 19 8  o 137.4694 1.441347  189.0514       2.801821  185.7779       5.603642  192.3250       5.603642  136.2787 2.055949  138.6600 2.020641  -2.381317      2.882693  
1 1 1 20 19 9  o 139.9492 1.372321  195.9178       2.716051  196.7850       5.432102  195.0506       5.432102  140.2591 1.936453  139.6394 1.945046  0.6196899      2.744641  
1 1 1 20 19 10 o 58.93596 2.508752  36.16160       1.967946  50.08017       3.935891  22.24303       3.935891  70.74417 2.781778  47.12774 4.175769  23.61643       5.017503  
1 1 1 20 19 11 o 122.8269 1.703789  151.2888       2.949536  165.6219       5.899073  136.9557       5.899073  128.6616 2.292477  116.9922 2.521140  11.66937       3.407579  
1 1 1 20 19 12 f 262.0973 1.748307  688.1187       6.470873  730.9227       12.94175  645.3146       12.94175  270.2630 2.394287  253.9317 2.548273  16.33134       3.496614  
1 1 1 20 19 13 o 89.11021 2.401443  79.71371       3.016246  72.22791       6.032492  87.19953       6.032492  84.90990 3.552291  93.31052 3.232482  -8.400627      4.802886  
1 1 1 20 19 14 o 248.4731 1.825671  619.1977       6.399398  669.4160       12.79880  568.9794       12.79880  258.5785 2.474837  238.3677 2.684675  20.21078       3.651342  
1 1 1 20 19 15 o 114.1828 2.431118  131.0614       3.912067  143.6362       7.824133  118.4865       7.824133  119.6893 3.268519  108.6764 3.599740  11.01289       4.862236  
1 1 1 20 19 16 o 127.6919 2.459321  163.7064       4.440981  165.2598       8.881963  162.1530       8.881963  128.3002 3.461399  127.0837 3.494534  1.216522       4.918643  
1 1 1 20 19 17 o 25.71682 7.624343  1.629630       4.679232  2.668401       9.358463  0.5908602      9.358463  26.44090 10.91742  24.99275 10.64577  1.448149       15.24869  
1 1 1 20 19 18 o 67.97083 5.528677  47.59284       5.312977  46.33488       10.62595  48.85080       10.62595  67.04546 7.924440  68.89619 7.711569  -1.850731      11.05735  
1 1 1 20 19 19 o 90.71431 4.468331  84.37389       5.703707  74.85818       11.40741  93.88960       11.40741  85.46944 6.673388  95.95918 5.943889  -10.48975      8.936662  
1 1 1 20 19 20 o 39.11563 8.774659  15.47673       6.223093  2.544511       12.44619  28.40894       12.44619  28.75607 12.26376  49.47519 12.55304  -20.71912      17.54932  
1 1 1 20 19 21 o 75.30927 6.916872  61.97361       7.366693  62.07845       14.73339  61.86879       14.73339  75.37887 9.772889  75.23967 9.790970  0.1391983      13.83374  
1 1 1 20 20 0  o 538.6868 8.236015  2906.241       88.68622  2906.241       88.68622  2906.241       88.68622  538.6868 8.236015  538.6868 8.236015  0.000000       0.000000  
1 1 1 20 20 1  o 254.9017 3.313742  650.2512       16.88717  650.2512       16.88717  650.2512       16.88717  254.9017 3.313742  254.9017 3.313742  0.000000       0.000000  
1 1 1 20 20 2  o 326.9243 4.035807  1069.714       26.37905  1069.714       26.37905  1069.714       26.37905  326.9243 4.035807  326.9243 4.035807  0.000000       0.000000  
1 1 1 20 20 3  o 33.89236 7.759444  13.15141       4.574402  13.15141       4.574402  13.15141       4.574402  33.89236 7.759444  33.89236 7.759444  0.000000       0.000000  
1 1 1 20 20 4  o 36.00406 7.175114  14.39031       4.593462  14.39031       4.593462  14.39031       4.593462  36.00406 7.175114  36.00406 7.175114  0.000000       0.000000  
1 1 1 20 20 5  o 55.50464 4.398066  31.40136       4.822182  31.40136       4.822182  31.40136       4.822182  55.50464 4.398066  55.50464 4.398066  0.000000       0.000000  
1 1 1 20 20 6  o 81.36108 3.397935  66.56708       5.508343  66.56708       5.508343  66.56708       5.508343  81.36108 3.397935  81.36108 3.397935  0.000000       0.000000  
1 1 1 20 20 7  o 218.6903 2.999405  478.6826       13.11329  478.6826       13.11329  478.6826       13.11329  218.6903 2.999405  218.6903 2.999405  0.000000       0.000000  
1 1 1 20 20 8  o 94.49503 3.123815  89.62016       5.889543  89.62016       5.889543  89.62016       5.889543  94.49503 3.123815  94.49503 3.123815  0.000000       0.000000  
1 1 1 20 20 9  o 34.58663 10.04356  14.65715       6.022963  14.65715       6.022963  14.65715       6.022963  34.58663 10.04356  34.58663 10.04356  0.000000       0.000000  
1 1 1 20 20 10 o 146.7048 2.971409  215.5782       8.710423  215.5782       8.710423  215.5782       8.710423  146.7048 2.971409  146.7048 2.971409  0.000000       0.000000  
1 1 1 20 20 11 o 78.99101 4.814634  63.15533       7.547763  63.15533       7.547763  63.15533       7.547763  78.99101 4.814634  78.99101 4.814634  0.000000       0.000000  
1 1 1 20 20 12 o 234.8535 3.265955  552.2542       15.33377  552.2542       15.33377  552.2542       15.33377  234.8535 3.265955  234.8535 3.265955  0.000000       0.000000  
1 1 1 20 20 13 o 26.54642 13.05194  10.54971       8.186274  10.54971       8.186274  10.54971       8.186274  26.54642 13.05194  26.54642 13.05194  0.000000       0.000000  
1 1 1 20 20 14 o 32.87465 13.70726  15.44814       8.958203  15.44814       8.958203  15.44814       8.958203  32.87465 13.70726  32.87465 13.70726  0.000000       0.000000  
1 1 1 20 20 15 o 189.4780 4.093324  360.4057       15.49579  360.4057       15.49579  360.4057       15.49579  189.4780 4.093324  189.4780 4.093324  0.000000       0.000000  
1 1 1 20 20 16 o 21.20006 13.22882  3.716702       11.11199  3.716702       11.11199  3.716702       11.11199  21.20006 13.22882  21.20006 13.22882  0.000000       0.000000  
1 1 1 20 20 17 o 95.78589 6.451939  93.73711       12.24605  93.73711       12.24605  93.73711       12.24605  95.78589 6.451939  95.78589 6.451939  0.000000       0.000000  
1 1 1 20 20 18 o 90.64716 8.453116  85.68426       15.07647  85.68426       15.07647  85.68426       15.07647  90.64716 8.453116  90.64716 8.453116  0.000000       0.000000  
1 1 1 20 20 19 o 151.1218 5.998768  231.9794       18.06889  231.9794       18.06889  231.9794       18.06889  151.1218 5.998768  151.1218 5.998768  0.000000       0.000000  
1 1 1 20 20 20 o 68.22432 14.48708  55.30262       17.37320  55.30262       17.37320  55.30262       17.37320  68.22432 14.48708  68.22432 14.48708  0.000000       0.000000  
1 1 1 21 0  1  o 593.8262 6.388952  3528.569       75.85883  3528.569       75.85883  3528.569       75.85883  593.8262 6.388952  593.8262 6.388952  0.000000       0.000000  
1 1 1 21 0  2  o 976.4714 10.16225  9545.633       198.4147  9545.633       198.4147  9545.633       198.4147  976.4714 10.16225  976.4714 10.16225  0.000000       0.000000  
1 1 1 21 0  3  o 848.3452 9.527699  7204.807       161.6098  7204.807       161.6098  7204.807       161.6098  848.3452 9.527699  848.3452 9.527699  0.000000       0.000000  
1 1 1 21 0  4  o 665.6647 8.121612  4435.531       108.0893  4435.531       108.0893  4435.531       108.0893  665.6647 8.121612  665.6647 8.121612  0.000000       0.000000  
1 1 1 21 0  5  o 574.3710 7.053185  3302.232       80.99550  3302.232       80.99550  3302.232       80.99550  574.3710 7.053185  574.3710 7.053185  0.000000       0.000000  
1 1 1 21 0  6  o 553.3126 6.844401  3064.687       75.71588  3064.687       75.71588  3064.687       75.71588  553.3126 6.844401  553.3126 6.844401  0.000000       0.000000  
1 1 1 21 0  7  o 56.33780 4.138209  32.25906       4.612522  32.25906       4.612522  32.25906       4.612522  56.33780 4.138209  56.33780 4.138209  0.000000       0.000000  
1 1 1 21 0  8  o 470.8464 5.066415  2218.861       47.69767  2218.861       47.69767  2218.861       47.69767  470.8464 5.066415  470.8464 5.066415  0.000000       0.000000  
1 1 1 21 0  9  f 124.9451 2.114130  156.2635       5.279623  156.2635       5.279623  156.2635       5.279623  124.9451 2.114130  124.9451 2.114130  0.000000       0.000000  
1 1 1 21 0  10 o 56.70597 3.377693  32.50684       3.802472  32.50684       3.802472  32.50684       3.802472  56.70597 3.377693  56.70597 3.377693  0.000000       0.000000  
1 1 1 21 0  11 o 49.48433 4.379023  25.07344       4.269442  25.07344       4.269442  25.07344       4.269442  49.48433 4.379023  49.48433 4.379023  0.000000       0.000000  
1 1 1 21 0  12 o 140.7156 2.541549  198.2527       7.147503  198.2527       7.147503  198.2527       7.147503  140.7156 2.541549  140.7156 2.541549  0.000000       0.000000  
1 1 1 21 0  13 o 328.0238 3.859407  1077.091       25.31169  1077.091       25.31169  1077.091       25.31169  328.0238 3.859407  328.0238 3.859407  0.000000       0.000000  
1 1 1 21 0  14 o 149.4033 3.519007  223.7168       10.50206  223.7168       10.50206  223.7168       10.50206  149.4033 3.519007  149.4033 3.519007  0.000000       0.000000  
1 1 1 21 0  15 o 261.4878 3.565838  684.6927       18.64069  684.6927       18.64069  684.6927       18.64069  261.4878 3.565838  261.4878 3.565838  0.000000       0.000000  
1 1 1 21 0  16 o 162.5914 3.455795  264.9722       11.22635  264.9722       11.22635  264.9722       11.22635  162.5914 3.455795  162.5914 3.455795  0.000000       0.000000  
1 1 1 21 0  17 o 29.34090 14.33733  12.97987       9.854024  12.97987       9.854024  12.97987       9.854024  29.34090 14.33733  29.34090 14.33733  0.000000       0.000000  
1 1 1 21 0  18 o 68.80189 7.848707  49.58461       10.55925  49.58461       10.55925  49.58461       10.55925  68.80189 7.848707  68.80189 7.848707  0.000000       0.000000  
1 1 1 21 0  19 o 92.72500 6.847476  88.12395       12.56055  88.12395       12.56055  88.12395       12.56055  92.72500 6.847476  92.72500 6.847476  0.000000       0.000000  
1 1 1 21 0  20 o 29.51732 16.43509  13.24671       14.19018  13.24671       14.19018  13.24671       14.19018  29.51732 16.43509  29.51732 16.43509  0.000000       0.000000  
1 1 1 21 0  21 o 130.4888 6.393894  173.5414       16.60127  173.5414       16.60127  173.5414       16.60127  130.4888 6.393894  130.4888 6.393894  0.000000       0.000000  
1 1 1 21 0  22 o 25.03386 16.30518  2.982891       19.12672  2.982891       19.12672  2.982891       19.12672  25.03386 16.30518  25.03386 16.30518  0.000000       0.000000  
1 1 1 21 1  0  o 407.2813 4.377932  1659.584       35.65174  1659.584       35.65174  1659.584       35.65174  407.2813 4.377932  407.2813 4.377932  0.000000       0.000000  
1 1 1 21 1  1  o 685.0972 3.579757  4695.676       34.67968  4774.246       69.35937  4617.106       69.35937  690.8315 5.019992  679.3630 5.104735  11.46851       7.159514  
1 1 1 21 1  2  o 497.5676 2.659085  2482.071       18.64545  2242.439       37.29090  2721.702       37.29090  473.4873 3.937899  521.6479 3.574336  -48.16064      5.318170  
1 1 1 21 1  3  o 629.2964 3.425610  3962.447       30.47695  4077.136       60.95390  3847.758       60.95390  638.4088 4.773893  620.1839 4.914180  18.22491       6.851220  
1 1 1 21 1  4  o 544.8351 3.445232  2969.654       26.54582  2958.380       53.09165  2980.928       53.09165  543.8004 4.881538  545.8697 4.863034  -2.069275      6.890465  
1 1 1 21 1  5  o 217.4511 1.686076  473.2409       5.179556  448.0817       10.35911  498.4001       10.35911  211.6661 2.447042  223.2361 2.320215  -11.57005      3.372152  
1 1 1 21 1  6  o 583.8882 3.728679  3412.451       30.77715  3523.023       61.55430  3301.879       61.55430  593.3568 5.186954  574.4197 5.357955  18.93713       7.457357  
1 1 1 21 1  7  o 260.5700 1.842446  680.0230       6.775833  729.6838       13.55167  630.3621       13.55167  270.0993 2.508645  251.0408 2.699097  19.05855       3.684891  
1 1 1 21 1  8  o 118.4171 1.365579  140.4294       2.282436  150.5455       4.564872  130.3133       4.564872  122.6885 1.860350  114.1457 1.999580  8.542770       2.731158  
1 1 1 21 1  9  o 228.6754 1.419903  523.6308       4.583931  559.2302       9.167863  488.0315       9.167863  236.4593 1.938572  220.8916 2.075195  15.56763       2.839805  
1 1 1 21 1  10 o 240.8961 1.495702  581.6733       5.079492  528.4673       10.15898  634.8793       10.15898  229.8528 2.209889  251.9395 2.016156  -22.08672      2.991404  
1 1 1 21 1  11 o 417.2055 2.317891  1741.913       13.67556  1726.284       27.35111  1757.542       27.35111  415.3324 3.292677  419.0786 3.263244  -3.746155      4.635783  
1 1 1 21 1  12 o 250.3172 1.607296  626.8741       5.689413  635.9467       11.37883  617.8016       11.37883  252.1294 2.256544  248.5050 2.289456  3.624420       3.214592  
1 1 1 21 1  13 o 50.72501 2.797175  26.01215       1.977476  31.08688       3.954952  20.93742       3.954952  55.72721 3.548493  45.72282 4.324921  10.00439       5.594349  
1 1 1 21 1  14 o 192.9012 1.482728  372.5231       4.040722  392.1311       8.081444  352.9151       8.081444  197.9836 2.040938  187.8188 2.151394  10.16478       2.965455  
1 1 1 21 1  15 f 37.40183 5.332351  14.76674       2.763701  20.66105       5.527402  8.872433       5.527402  45.34737 6.094513  29.45630 8.751729  15.89106       10.66470  
1 1 1 21 1  16 o 112.1143 2.264310  125.9533       3.588047  120.9929       7.176094  130.9137       7.176094  109.9021 3.264767  114.3265 3.138422  -4.424385      4.528620  
1 1 1 21 1  17 f 270.2929 2.096013  732.3618       8.005203  697.4819       16.01041  767.2415       16.01041  263.8406 3.034106  276.7451 2.892627  -12.90448      4.192027  
1 1 1 21 1  18 o 158.3857 2.280753  251.8256       5.103317  265.1057       10.20663  238.5455       10.20663  162.5780 3.138997  154.1933 3.309687  8.384644       4.561505  
1 1 1 21 1  19 o 94.83742 3.357545  91.20691       4.464807  104.7824       8.929614  77.63142       8.929614  101.9947 4.377491  87.68017 5.092151  14.31449       6.715090  
1 1 1 21 1  20 o 38.31288 7.793191  15.48149       4.788827  7.414343       9.577654  23.54864       9.577654  30.19002 11.47308  46.43575 10.55006  -16.24573      15.58638  
1 1 1 21 1  21 o 77.95798 6.088554  63.47459       6.709123  65.72844       13.41825  61.22075       13.41825  79.40353 8.449401  76.51244 8.768670  2.891098       12.17711  
1 1 1 21 1  22 o 60.36591 8.925748  43.53783       7.919433  17.59239       15.83887  69.48325       15.83887  40.36911 14.88498  80.36272 9.854611  -39.99361      17.85150  
1 1 1 21 1  23 o 49.75314 14.43950  31.24888       15.20989  31.24888       15.20989  ?              ?         49.75314 14.43950  ?        ?         ?              ?         
1 1 1 21 2  0  o 312.5054 3.439301  977.0351       21.49016  977.0351       21.49016  977.0351       21.49016  312.5054 3.439301  312.5054 3.439301  0.000000       0.000000  
1 1 1 21 2  1  o 453.6597 2.572148  2058.557       16.50120  2032.779       33.00240  2084.336       33.00240  450.8185 3.660276  456.5009 3.614714  -5.682373      5.144296  
1 1 1 21 2  2  o 389.6414 2.135275  1518.535       11.76479  1545.052       23.52958  1492.017       23.52958  393.0441 2.993249  386.2386 3.045990  6.805573       4.270550  
1 1 1 21 2  3  o 254.7629 1.546454  653.2866       5.517872  548.9091       11.03574  757.6639       11.03574  234.2778 2.355270  275.2481 2.004690  -40.97038      3.092908  
1 1 1 21 2  4  o 538.1936 3.253412  2899.699       24.73512  2742.707       49.47025  3056.692       49.47025  523.6085 4.723973  552.7787 4.474688  -29.17029      6.506824  
1 1 1 21 2  5  o 699.2716 4.337432  4894.038       42.88977  4817.637       85.77956  4970.440       85.77956  693.8086 6.181789  704.7346 6.085948  -10.92596      8.674865  
1 1 1 21 2  6  o 557.7378 3.433274  3113.305       27.06998  3212.526       54.13995  3014.083       54.13995  566.6328 4.777340  548.8428 4.932191  17.79004       6.866549  
1 1 1 21 2  7  o 568.5602 3.373821  3235.041       27.12716  3259.299       54.25431  3210.782       54.25431  570.6935 4.753367  566.4268 4.789172  4.266724       6.747642  
1 1 1 21 2  8  o 297.1624 1.871992  884.0222       7.857488  833.6942       15.71498  934.3502       15.71498  288.6943 2.721733  305.6306 2.570910  -16.93622      3.743983  
1 1 1 21 2  9  o 550.3689 2.993768  3032.142       23.29609  3108.630       46.59219  2955.654       46.59219  557.3177 4.180038  543.4201 4.286940  13.89764       5.987535  
1 1 1 21 2  10 o 560.0869 3.013839  3141.380       23.85836  3018.524       47.71673  3264.236       47.71673  549.1193 4.344842  571.0545 4.177949  -21.93518      6.027678  
1 1 1 21 2  11 o 214.9699 1.433000  462.3434       4.355212  449.3111       8.710423  475.3756       8.710423  211.9388 2.054939  218.0011 1.997793  -6.062363      2.865999  
1 1 1 21 2  12 o 246.8579 1.681589  609.6677       5.870482  613.9609       11.74096  605.3744       11.74096  247.7275 2.369734  245.9883 2.386488  1.739166       3.363178  
1 1 1 21 2  13 o 154.7335 1.413791  239.8130       3.087722  257.0718       6.175443  222.5542       6.175443  160.3104 1.926089  149.1565 2.070122  11.15392       2.827583  
1 1 1 21 2  14 o 75.27150 2.200466  56.90841       2.330086  50.19453       4.660172  63.62230       4.660172  70.81172 3.290537  79.73128 2.922424  -8.919556      4.400931  
1 1 1 21 2  15 o 219.2705 1.775401  481.2890       5.503577  466.8653       11.00715  495.7127       11.00715  215.9815 2.548171  222.5595 2.472857  -6.578018      3.550802  
1 1 1 21 2  16 f 239.4797 1.930163  574.7212       6.528053  609.3580       13.05611  540.0844       13.05611  246.7114 2.646028  232.2480 2.810811  14.46336       3.860326  
1 1 1 21 2  17 o 87.88831 3.186634  77.96020       3.931127  67.03404       7.862253  88.88634       7.862253  81.67239 4.813287  94.10424 4.177417  -12.43185      6.373268  
1 1 1 21 2  18 o 120.9936 2.743735  148.2726       4.636347  175.0185       9.272694  121.5266       9.272694  132.0462 3.511154  109.9410 4.217123  22.10526       5.487470  
1 1 1 21 2  19 o 92.46107 3.381836  86.47050       4.402863  77.25975       8.805723  95.68124       8.805723  87.48019 5.032982  97.44195 4.518446  -9.961761      6.763672  
1 1 1 21 2  20 o 86.65093 4.207303  76.42109       5.150967  72.68534       10.30193  80.15686       10.30193  84.49529 6.096159  88.80657 5.800210  -4.311279      8.414605  
1 1 1 21 2  21 o 34.57350 9.246791  7.509642       6.894957  -4.936542      13.78991  19.95583       13.78991  26.72241 12.08377  42.42459 13.99982  -15.70218      18.49358  
1 1 1 21 2  22 o 54.99316 9.358528  35.51357       7.199918  33.86010       14.39984  37.16702       14.39984  53.55533 13.45104  56.43100 13.01529  -2.875675      18.71706  
1 1 1 21 2  23 o 90.42897 5.721339  87.41396       7.304748  81.99615       14.60950  92.83176       14.60950  87.43336 8.354647  93.42458 7.818871  -5.991226      11.44268  
1 1 1 21 3  0  o 338.9175 3.787277  1149.204       25.66430  1149.204       25.66430  1149.204       25.66430  338.9175 3.787277  338.9175 3.787277  0.000000       0.000000  
1 1 1 21 3  1  o 613.4806 3.301990  3768.640       28.60431  3529.037       57.20861  4008.243       57.20861  593.9524 4.815926  633.0087 4.518785  -39.05634      6.603981  
1 1 1 21 3  2  o 86.88471 0.9117630 75.51575       1.119775  72.80923       2.239551  78.22227       2.239551  85.32718 1.312332  88.44225 1.266109  -3.115067      1.823526  
1 1 1 21 3  3  o 536.2383 2.787264  2877.942       21.11849  2737.579       42.23698  3018.305       42.23698  523.1506 4.036790  549.3260 3.844436  -26.17542      5.574528  
1 1 1 21 3  4  o 386.6210 2.489292  1495.558       13.60408  1442.271       27.20816  1548.845       27.20816  379.7296 3.582571  393.5123 3.457091  -13.78275      4.978583  
1 1 1 21 3  5  o 136.2257 1.162600  187.7173       2.201431  227.5002       4.402862  147.9342       4.402862  150.8276 1.459568  121.6239 1.810032  29.20373       2.325200  
1 1 1 21 3  6  o 188.7395 1.472784  356.2649       3.931127  356.1935       7.862253  356.3364       7.862253  188.7206 2.083040  188.7585 2.082622  -0.3787231E-01 2.945568  
1 1 1 21 3  7  o 375.4195 2.363878  1410.226       12.54625  1451.991       25.09250  1368.461       25.09250  380.9820 3.293134  369.8571 3.392189  11.12494       4.727756  
1 1 1 21 3  8  o 163.2924 1.335084  266.6924       3.082956  263.5904       6.165912  269.7944       6.165912  162.3425 1.899044  164.2422 1.877079  -1.899673      2.670167  
1 1 1 21 3  9  o 430.8498 2.435801  1857.664       14.83822  1811.425       29.67643  1903.904       29.67643  425.4837 3.487376  436.2159 3.401576  -10.73218      4.871602  
1 1 1 21 3  10 o 237.0984 1.471866  562.5609       4.931777  538.0926       9.863553  587.0291       9.863553  231.9385 2.126330  242.2584 2.035751  -10.31989      2.943732  
1 1 1 21 3  11 o 157.9282 1.262098  250.1912       2.806586  223.3356       5.613173  277.0468       5.613173  149.4257 1.878249  166.4306 1.686340  -17.00493      2.524195  
1 1 1 21 3  12 o 297.9689 1.796241  888.8682       7.562057  933.4448       15.12411  844.2916       15.12411  305.4490 2.475719  290.4888 2.603219  14.96017       3.592483  
1 1 1 21 3  13 o 169.0839 1.411966  286.1384       3.373621  272.9774       6.747242  299.2993       6.747242  165.1920 2.042242  172.9757 1.950344  -7.783691      2.823933  
1 1 1 21 3  14 o 169.4576 1.507307  287.3010       3.611871  282.5074       7.223743  292.0946       7.223743  168.0432 2.149372  170.8719 2.113789  -2.828781      3.014615  
1 1 1 21 3  15 o 177.4018 1.728350  314.9523       4.336152  314.8713       8.672303  315.0333       8.672303  177.3789 2.444570  177.4246 2.443941  -0.4565430E-01 3.456699  
1 1 1 21 3  16 o 262.9323 2.003898  692.4692       7.447698  667.5101       14.89540  717.4282       14.89540  258.1859 2.884626  267.6785 2.782329  -9.492584      4.007795  
1 1 1 21 3  17 o 40.85506 5.822048  17.53521       3.249731  16.59174       6.499463  18.47868       6.499463  39.68560 8.441455  42.02451 8.020401  -2.338909      11.64410  
1 1 1 21 3  18 o 100.6944 2.951620  102.0235       4.197967  107.8701       8.395933  96.17680       8.395933  103.5975 4.052188  97.79119 4.292786  5.806343       5.903240  
1 1 1 21 3  19 o 44.32168 7.060635  21.15184       4.326622  19.92724       8.653244  22.37645       8.653244  42.97794 10.20562  45.66541 9.759897  -2.687466      14.12127  
1 1 1 21 3  20 o 81.05983 4.489381  67.14841       5.127142  73.72411       10.25428  60.57270       10.25428  85.11591 6.023717  77.00375 6.658302  8.112160       8.978762  
1 1 1 21 3  21 o 43.60089 8.681435  19.65563       6.604293  2.363441       13.20859  36.94783       13.20859  29.71377 12.65179  57.48802 11.89123  -27.77426      17.36287  
1 1 1 21 3  22 f 67.18738 7.402752  49.67038       6.809187  42.94220       13.61837  56.39856       13.61837  61.71883 11.46175  72.65593 9.371826  -10.93710      14.80550  
1 1 1 21 3  23 o 30.32038 13.00158  4.107431       14.12347  4.107431       14.12347  ?              ?         30.32038 13.00158  ?        ?         ?              ?         
1 1 1 21 4  0  o 988.2609 10.24356  9777.594       202.4173  9777.594       202.4173  9777.594       202.4173  988.2609 10.24356  988.2609 10.24356  0.000000       0.000000  
1 1 1 21 4  1  o 568.3940 3.039185  3232.039       24.42540  3160.454       48.85080  3303.624       48.85080  562.0969 4.345407  574.6911 4.250179  -12.59424      6.078371  
1 1 1 21 4  2  o 442.9579 2.427313  1962.523       15.20512  1944.721       30.41024  1980.325       30.41024  440.9485 3.448277  444.9674 3.417132  -4.018921      4.854627  
1 1 1 21 4  3  o 247.6812 1.507567  614.6901       5.265327  560.7550       10.53065  668.6251       10.53065  236.7932 2.223597  258.5692 2.036332  -21.77602      3.015134  
1 1 1 21 4  4  o 183.0598 1.293946  335.1321       3.349797  337.0858       6.699593  333.1784       6.699593  183.5934 1.824574  182.5262 1.835242  1.067215       2.587892  
1 1 1 21 4  5  o 524.3041 3.018088  2750.621       22.37168  2672.499       44.74337  2828.743       44.74337  516.8541 4.328434  531.7542 4.207148  -14.90015      6.036176  
1 1 1 21 4  6  o 133.8499 1.219846  179.5643       2.301496  162.7915       4.602992  196.3371       4.602992  127.5844 1.803901  140.1154 1.642571  -12.53106      2.439692  
1 1 1 21 4  7  o 302.6825 1.758835  916.3670       7.528703  922.4186       15.05741  910.3154       15.05741  303.6822 2.479139  301.6829 2.495569  1.999298       3.517669  
1 1 1 21 4  8  o 123.2244 1.185723  152.7135       2.048951  129.9511       4.097902  175.4760       4.097902  113.9882 1.797511  132.4605 1.546839  -18.47233      2.371446  
1 1 1 21 4  9  o 81.14944 1.233957  65.89045       1.415206  68.62556       2.830411  63.15533       2.830411  82.83467 1.708470  79.46421 1.780935  3.370461       2.467914  
1 1 1 21 4  10 o 189.1129 1.272722  358.4854       3.392681  391.9500       6.785362  325.0208       6.785362  197.9606 1.713816  180.2651 1.882051  17.69557       2.545444  
1 1 1 21 4  11 o 384.5527 2.191515  1480.305       11.91251  1533.692       23.82501  1426.918       23.82501  391.4941 3.042831  377.6112 3.154701  13.88287       4.383031  
1 1 1 21 4  12 o 256.4163 1.669349  657.9277       6.051552  638.5960       12.10310  677.2593       12.10310  252.6467 2.395263  260.1858 2.325858  -7.539154      3.338698  
1 1 1 21 4  13 o 243.9120 1.624534  595.5347       5.598877  624.1199       11.19775  566.9495       11.19775  249.7717 2.241598  238.0522 2.351954  11.71950       3.249068  
1 1 1 21 4  14 o 451.0893 2.542595  2037.262       16.22007  2029.948       32.44013  2044.577       32.44013  450.2786 3.602229  451.9000 3.589304  -1.621429      5.085190  
1 1 1 21 4  15 o 69.26881 2.979223  48.42672       2.887591  40.35004       5.775182  56.50339       5.775182  63.43886 4.551770  75.09877 3.845058  -11.65991      5.958447  
1 1 1 21 4  16 o 125.0774 1.959596  156.7066       3.464156  162.9917       6.928313  150.4216       6.928313  127.5898 2.715072  122.5649 2.826385  5.024925       3.919192  
1 1 1 21 4  17 o 98.00170 2.552038  96.34359       3.535631  93.25108       7.071262  99.43607       7.071262  96.42393 3.666757  99.57948 3.550562  -3.155548      5.104077  
1 1 1 21 4  18 o 72.22540 4.501225  52.93441       4.583931  57.58981       9.167863  48.27900       9.167863  75.44823 6.075599  69.00257 6.643132  6.445656       9.002450  
1 1 1 21 4  19 o 93.72011 3.786656  89.72022       4.936542  71.29395       9.873084  108.1465       9.873084  83.88963 5.884567  103.5506 4.767276  -19.66096      7.573312  
1 1 1 21 4  20 o 49.99598 7.189764  27.82284       5.069962  42.27510       10.13992  13.37060       10.13992  64.05212 7.915369  35.93984 12.00491  28.11228       14.37953  
1 1 1 21 4  21 o 91.66056 4.607529  86.61820       5.927662  74.69617       11.85532  98.54025       11.85532  85.15720 6.960847  98.16393 6.038535  -13.00673      9.215058  
1 1 1 21 4  22 o 35.28123 9.124612  10.38294       6.537583  21.48063       13.07517  -0.7147502     13.07517  42.96432 13.60048  27.59814 12.16803  15.36618       18.24922  
1 1 1 21 4  23 o 36.70703 14.21027  14.18065       14.88587  14.18065       14.88587  ?              ?         36.70703 14.21027  ?        ?         ?              ?         
1 1 1 21 5  0  o 838.3243 9.374913  7035.345       157.1402  7035.345       157.1402  7035.345       157.1402  838.3243 9.374913  838.3243 9.374913  0.000000       0.000000  
1 1 1 21 5  1  o 240.1951 1.420262  579.0573       4.798357  648.4119       9.596713  509.7027       9.596713  254.6322 1.884427  225.7579 2.125443  28.87425       2.840523  
1 1 1 21 5  2  o 183.7019 1.267561  338.8155       3.273556  296.3736       6.547113  381.2574       6.547113  172.1501 1.901571  195.2538 1.676565  -23.10368      2.535122  
1 1 1 21 5  3  o 238.9875 1.422578  571.5763       4.803122  541.7998       9.606244  601.3528       9.606244  232.7578 2.063571  245.2172 1.958722  -12.45944      2.845157  
1 1 1 21 5  4  o 203.8074 1.292057  416.3039       3.711936  455.0291       7.423873  377.5788       7.423873  213.3079 1.740178  194.3070 1.910346  19.00087       2.584113  
1 1 1 21 5  5  o 300.6116 2.002752  904.1210       8.510294  936.0464       17.02059  872.1955       17.02059  305.9217 2.781854  295.3015 2.881900  10.62018       4.005503  
1 1 1 21 5  6  o 504.7899 2.927298  2552.264       20.86118  2378.918       41.72235  2725.610       41.72235  487.6198 4.278164  521.9601 3.996700  -34.34027      5.854597  
1 1 1 21 5  7  o 211.2171 1.328834  446.1853       3.969247  443.3072       7.938493  449.0633       7.938493  210.5358 1.885307  211.8984 1.873184  -1.362610      2.657668  
1 1 1 21 5  8  o 417.4064 2.345726  1745.911       13.81374  1606.692       27.62748  1885.130       27.62748  400.7298 3.447146  434.0831 3.182280  -33.35330      4.691452  
1 1 1 21 5  9  o 242.0127 1.530360  585.9141       5.236737  599.3801       10.47347  572.4482       10.47347  244.7948 2.139236  239.2307 2.188991  5.564102       3.060721  
1 1 1 21 5  10 o 196.2388 1.311919  385.2028       3.640462  391.9690       7.280923  378.4364       7.280923  197.9628 1.838963  194.5148 1.871560  3.447983       2.623837  
1 1 1 21 5  11 o 91.44930 1.473842  83.65915       1.906001  84.65502       3.812001  82.66325       3.812001  91.99380 2.071880  90.90480 2.096700  1.088997       2.947683  
1 1 1 21 5  12 o 303.5139 1.873372  921.9230       8.038558  894.9626       16.07712  948.8834       16.07712  299.0725 2.687829  307.9553 2.610300  -8.882782      3.746744  
1 1 1 21 5  13 o 284.9364 1.842416  812.7282       7.419108  777.9437       14.83822  847.5127       14.83822  278.8325 2.660776  291.0403 2.549169  -12.20782      3.684832  
1 1 1 21 5  14 o 289.9756 1.954631  841.5185       8.014733  826.4800       16.02947  856.5567       16.02947  287.3825 2.788873  292.5686 2.739437  -5.186066      3.909262  
1 1 1 21 5  15 o 140.1951 1.719809  197.1662       3.397446  216.4931       6.794893  177.8394       6.794893  147.0879 2.309807  133.3022 2.548679  13.78568       3.439618  
1 1 1 21 5  16 o 221.4508 1.845010  491.1430       5.775182  509.3787       11.55036  472.9073       11.55036  225.5681 2.560283  217.3335 2.657291  8.234650       3.690019  
1 1 1 21 5  17 o 75.22244 3.470313  57.12284       3.669051  49.87051       7.338103  64.37517       7.338103  70.40185 5.211585  80.04303 4.583849  -9.641182      6.940626  
1 1 1 21 5  18 o 175.8628 2.132554  310.2112       5.303447  314.4520       10.60689  305.9703       10.60689  177.0685 2.995139  174.6570 3.036492  2.411469       4.265107  
1 1 1 21 5  19 o 129.6082 2.732473  168.9431       5.008017  171.4924       10.01603  166.3939       10.01603  130.5916 3.834867  128.6247 3.893510  1.966904       5.464945  
1 1 1 21 5  20 o 40.62685 8.577553  17.93070       5.393982  22.05243       10.78796  13.80897       10.78796  44.64422 11.87303  36.60947 12.38260  8.034752       17.15511  
1 1 1 21 5  21 o 81.92410 5.212674  70.85558       5.827598  50.19453       11.65520  91.51662       11.65520  69.31423 8.407505  94.53397 6.164554  -25.21974      10.42535  
1 1 1 21 5  22 f 113.2902 4.486814  132.9864       7.137973  115.3702       14.27595  150.6027       14.27595  105.5154 6.764864  121.0650 5.895983  -15.54963      8.973628  
1 1 1 21 5  23 o 66.16805 7.453964  49.49884       6.747242  56.57010       13.49448  42.42758       13.49448  71.97472 9.374463  60.36137 11.59162  11.61335       14.90793  
1 1 1 21 6  0  f 330.0083 3.801487  1089.613       25.08297  1089.613       25.08297  1089.613       25.08297  330.0083 3.801487  330.0083 3.801487  0.000000       0.000000  
1 1 1 21 6  1  o 431.1877 2.425343  1859.890       14.78580  1811.625       29.57160  1908.155       29.57160  425.5910 3.474180  436.7845 3.385148  -11.19345      4.850686  
1 1 1 21 6  2  o 444.5727 2.485906  1982.488       15.56250  1771.142       31.12499  2193.835       31.12499  420.8030 3.698286  468.3423 3.322889  -47.53931      4.971812  
1 1 1 21 6  3  o 186.6538 1.398681  348.6695       3.688112  330.0240       7.376224  367.3149       7.376224  181.6592 2.030237  191.6485 1.924415  -9.989319      2.797362  
1 1 1 21 6  4  o 472.3596 2.641690  2232.061       17.64480  2272.239       35.28960  2191.882       35.28960  476.6126 3.702127  468.1067 3.769397  8.505890       5.283380  
1 1 1 21 6  5  o 298.9070 1.772003  893.5856       7.490582  893.2664       14.98116  893.9049       14.98116  298.8536 2.506439  298.9604 2.505543  -0.1068115     3.544007  
1 1 1 21 6  6  o 234.1381 1.533561  549.1998       5.065197  594.0814       10.13039  504.3183       10.13039  243.7225 2.078264  224.5537 2.255673  19.16884       3.067122  
1 1 1 21 6  7  o 237.9429 1.528438  567.0923       5.131907  610.4825       10.26381  523.7023       10.26381  247.0607 2.077185  228.8252 2.242720  18.23553       3.056875  
1 1 1 21 6  8  o 198.1826 1.287145  393.1984       3.602341  417.4904       7.204682  368.9065       7.204682  204.3113 1.763163  192.0539 1.875693  12.25739       2.574290  
1 1 1 21 6  9  o 563.8092 3.201319  3182.440       25.52135  3115.387       51.04269  3249.493       51.04269  557.8627 4.574844  569.7556 4.479350  -11.89288      6.402638  
1 1 1 21 6  10 o 154.6319 1.303077  239.9655       2.835176  212.1569       5.670352  267.7740       5.670352  145.6400 1.946701  163.6237 1.732741  -17.98372      2.606154  
1 1 1 21 6  11 f 54.29012 2.087796  29.63355       1.591511  33.70762       3.183021  25.55947       3.183021  58.04225 2.741987  50.53798 3.149138  7.504272       4.175591  
1 1 1 21 6  12 o 88.22779 1.622520  78.47005       2.001301  64.84215       4.002602  92.09795       4.002602  80.50465 2.485944  95.95093 2.085754  -15.44627      3.245041  
1 1 1 21 6  13 o 70.45409 2.393556  50.31842       2.339616  39.11113       4.679232  61.52570       4.679232  62.50049 3.743356  78.40770 2.983911  -15.90721      4.787111  
1 1 1 21 6  14 o 164.4494 1.618679  270.5759       3.764351  273.3968       7.528703  267.7550       7.528703  165.3071 2.277187  163.5917 2.301065  1.715363       3.237357  
1 1 1 21 6  15 o 118.1856 2.086939  139.8337       3.487981  138.4900       6.975962  141.1775       6.975962  117.6171 2.965539  118.7541 2.937146  -1.136963      4.173877  
1 1 1 21 6  16 o 54.12703 4.224902  29.78603       3.183021  35.81376       6.366043  23.75830       6.366043  59.69516 5.332126  48.55890 6.554970  11.13626       8.449804  
1 1 1 21 6  17 o 176.6517 1.934161  312.6270       4.831712  308.8198       9.663424  316.4342       9.663424  175.5741 2.751951  177.7293 2.718580  -2.155212      3.868321  
1 1 1 21 6  18 o 30.09381 6.344801  6.151618       3.797706  18.55492       7.595412  -6.251682      7.595412  41.67414 9.344790  18.51348 8.584926  23.16066       12.68960  
1 1 1 21 6  19 o 102.4247 3.277669  106.0070       4.731647  96.03384       9.463295  115.9802       9.463295  97.55615 4.850178  107.2932 4.410016  -9.737061      6.555339  
1 1 1 21 6  20 o 50.32162 7.849840  27.82285       5.646527  17.35414       11.29305  38.29155       11.29305  40.03940 12.63612  60.60384 9.317111  -20.56444      15.69968  
1 1 1 21 6  21 o 71.71078 5.177814  53.20601       5.251032  53.06306       10.50206  53.34896       10.50206  71.61111 7.332706  71.81046 7.312351  -0.1993484     10.35563  
1 1 1 21 6  22 o 72.38427 6.785338  56.36520       6.937842  53.44426       13.87568  59.28615       13.87568  70.36660 9.859568  74.40194 9.324815  -4.035339      13.57068  
1 1 1 21 6  23 o 59.19875 8.787801  42.05114       7.285687  54.55927       14.57137  29.54301       14.57137  69.93254 10.41817  48.46495 14.15499  21.46759       17.57560  
1 1 1 21 7  0  o 185.8973 2.579736  345.7962       9.587184  345.7962       9.587184  345.7962       9.587184  185.8973 2.579736  185.8973 2.579736  0.000000       0.000000  
1 1 1 21 7  1  o 745.3721 3.931021  5558.656       41.43645  5604.042       82.87290  5513.269       82.87290  748.4166 5.536549  742.3275 5.581964  6.089111       7.862041  
1 1 1 21 7  2  o 302.1400 1.760448  915.1567       7.495348  825.9845       14.99070  1004.329       14.99070  287.3832 2.608137  316.8967 2.365234  -29.51355      3.520896  
1 1 1 21 7  3  f 775.5754 4.283287  6021.905       46.94956  5770.465       93.89912  6273.344       93.89912  759.3655 6.182735  791.7852 5.929583  -32.41968      8.566573  
1 1 1 21 7  4  o 521.2755 2.912363  2720.592       21.44251  2878.795       42.88502  2562.389       42.88502  536.4501 3.997112  506.1009 4.236805  30.34918       5.824725  
1 1 1 21 7  5  o 360.5746 2.031255  1301.103       10.34958  1361.514       20.69917  1240.692       20.69917  368.9516 2.805133  352.1976 2.938573  16.75400       4.062510  
1 1 1 21 7  6  o 489.8547 2.690228  2401.142       18.63116  2469.348       37.26231  2332.935       37.26231  496.8167 3.750107  482.8929 3.858239  13.92380       5.380456  
1 1 1 21 7  7  o 134.3796 1.154587  180.7222       2.191901  171.1875       4.383801  190.2570       4.383801  130.8319 1.675357  137.9273 1.589172  -7.095398      2.309175  
1 1 1 21 7  8  o 102.3217 1.101296  105.0111       1.586746  93.76571       3.173491  116.2565       3.173491  96.82661 1.638749  107.8169 1.471704  -10.99025      2.202593  
1 1 1 21 7  9  o 270.0830 1.842937  729.7934       7.037908  713.7020       14.07582  745.8848       14.07582  267.1040 2.634894  273.0620 2.577403  -5.957977      3.685875  
1 1 1 21 7  10 o 162.0081 1.260759  263.4427       2.873296  232.2366       5.746593  294.6487       5.746593  152.3771 1.885648  171.6391 1.674033  -19.26201      2.521519  
1 1 1 21 7  11 o 144.3805 1.269997  208.5594       2.592161  215.1779       5.184323  201.9408       5.184323  146.6726 1.767311  142.0885 1.824329  4.584122       2.539993  
1 1 1 21 7  12 o 220.5492 1.459109  486.6162       4.550577  478.8159       9.101154  494.4166       9.101154  218.7808 2.079971  222.3176 2.046881  -3.536758      2.918219  
1 1 1 21 7  13 o 117.4410 1.616031  138.3614       2.673166  152.6897       5.346332  124.0330       5.346332  123.5412 2.163785  111.3408 2.400887  12.20047       3.232062  
1 1 1 21 7  14 o 100.3579 1.940922  100.8036       2.754171  98.52119       5.508343  103.0861       5.508343  99.22072 2.775803  101.4950 2.713603  -2.274292      3.881845  
1 1 1 21 7  15 o 116.8341 1.851659  136.6317       3.059131  134.2968       6.118262  138.9665       6.118262  115.8349 2.640941  117.8333 2.596151  -1.998444      3.703319  
1 1 1 21 7  16 o 109.1867 2.188746  119.4586       3.378386  115.5990       6.756773  123.3182       6.756773  107.4192 3.145049  110.9541 3.044850  -3.534912      4.377492  
1 1 1 21 7  17 o 73.48874 3.751117  56.02213       3.721466  37.06219       7.442933  74.98206       7.442933  60.58884 6.142165  86.38863 4.307820  -25.79979      7.502234  
1 1 1 21 7  18 o 77.63667 3.604071  60.98249       3.940656  67.32948       7.881313  54.63551       7.881313  81.72430 4.821891  73.54906 5.357862  8.175240       7.208142  
1 1 1 21 7  19 o 80.22299 3.987284  65.22812       4.517222  61.25886       9.034444  69.19736       9.034444  77.74911 5.809998  82.69688 5.462385  -4.947769      7.974567  
1 1 1 21 7  20 o 81.00845 4.345233  66.88157       4.974662  64.08927       9.949325  69.67385       9.949325  79.28500 6.274405  82.73191 6.012990  -3.446915      8.690467  
1 1 1 21 7  21 o 95.60600 4.734532  95.40964       6.251682  118.3436       12.50336  72.47568       12.50336  107.6000 5.810113  83.61201 7.477015  23.98800       9.469064  
1 1 1 21 7  22 o 30.41610 9.128189  1.763051       7.171328  -7.519173      14.34266  11.04527       14.34266  25.74553 11.88425  35.08667 13.85857  -9.341145      18.25638  
1 1 1 21 7  23 o 27.29748 12.38573  -2.868531      14.60950  -2.868531      14.60950  ?              ?         27.29748 12.38573  ?        ?         ?              ?         
1 1 1 21 8  0  o 751.4036 7.921201  5650.882       119.0107  5650.882       119.0107  5650.882       119.0107  751.4036 7.921201  751.4036 7.921201  0.000000       0.000000  
1 1 1 21 8  1  o 137.1145 1.116277  188.0842       2.163311  180.6984       4.326622  195.4699       4.326622  134.4212 1.609353  139.8078 1.547347  -5.386566      2.232554  
1 1 1 21 8  2  o 484.4673 2.640715  2348.074       18.08795  2286.601       36.17590  2409.547       36.17590  478.1228 3.783118  490.8117 3.685313  -12.68890      5.281431  
1 1 1 21 8  3  o 347.2369 2.016362  1205.936       9.901674  1203.306       19.80335  1208.567       19.80335  346.8582 2.854675  347.6157 2.848455  -0.7575073     4.032724  
1 1 1 21 8  4  o 281.2526 1.721785  792.3245       6.833013  853.6215       13.66603  731.0275       13.66603  292.1497 2.338874  270.3554 2.527418  21.79428       3.443570  
1 1 1 21 8  5  o 220.9185 1.351613  488.9083       4.212262  528.7246       8.424523  449.0919       8.424523  229.9301 1.831975  211.9070 1.987788  18.02312       2.703227  
1 1 1 21 8  6  o 254.8684 1.495184  649.6747       5.389217  649.5650       10.77843  649.7842       10.77843  254.8469 2.114688  254.8899 2.114331  -0.4299927E-01 2.990368  
1 1 1 21 8  7  o 233.3128 1.404742  544.7017       4.631582  520.5383       9.263164  568.8650       9.263164  228.1345 2.030198  238.4911 1.942035  -10.35663      2.809485  
1 1 1 21 8  8  o 122.0464 1.129429  148.9968       1.948886  152.9089       3.897772  145.0848       3.897772  123.6491 1.576143  120.4437 1.618089  3.205399       2.258858  
1 1 1 21 8  9  o 228.0422 1.500447  520.6766       4.831712  487.8314       9.663424  553.5217       9.663424  220.8407 2.187873  235.2438 2.053917  -14.40311      3.000894  
1 1 1 21 8  10 o 108.8994 1.336567  120.2734       2.015596  92.23138       4.031191  148.3154       4.031191  96.02422 2.099049  121.7746 1.655185  -25.75040      2.673134  
1 1 1 21 8  11 o 191.3815 1.426056  366.3810       3.859652  368.0487       7.719304  364.7133       7.719304  191.8172 2.012151  190.9457 2.021334  0.8714294      2.852112  
1 1 1 21 8  12 o 189.7665 1.431612  360.9156       3.831062  329.4904       7.662123  392.3407       7.662123  181.4865 2.110934  198.0465 1.934426  -16.55992      2.863223  
1 1 1 21 8  13 o 198.6248 1.460584  394.6851       4.102666  397.5917       8.205333  391.7785       8.205333  199.3565 2.057955  197.8931 2.073173  1.463379       2.921168  
1 1 1 21 8  14 o 367.8083 2.273251  1354.471       11.82197  1321.974       23.64394  1386.968       23.64394  363.3906 3.253241  372.2260 3.176019  -8.835419      4.546501  
1 1 1 21 8  15 o 132.1129 1.964643  174.7708       3.669051  180.7365       7.338103  168.8050       7.338103  134.3708 2.730543  129.8551 2.825496  4.515671       3.929286  
1 1 1 21 8  16 o 198.4306 1.759525  395.7953       4.907952  345.8820       9.815904  445.7087       9.815904  185.8536 2.640763  211.0076 2.325959  -25.15408      3.519051  
1 1 1 21 8  17 o 25.81845 7.040617  4.398097       3.688112  2.268141       7.376224  6.528053       7.376224  23.83401 9.742375  27.80290 10.16697  -3.968884      14.08123  
1 1 1 21 8  18 o 81.25346 3.575489  66.67667       4.102666  70.76981       8.205333  62.58353       8.205333  83.77220 4.897408  78.73471 5.210747  5.037491       7.150978  
1 1 1 21 8  19 o 86.72671 3.881591  76.16380       4.760237  74.85818       9.520474  77.46940       9.520474  85.97399 5.536834  87.47942 5.441551  -1.505432      7.763183  
1 1 1 21 8  20 o 64.30309 6.177629  44.25258       5.279623  31.77303       10.55925  56.73211       10.55925  54.22538 10.11283  74.38078 7.098100  -20.15540      12.35526  
1 1 1 21 8  21 o 37.41748 9.085295  13.79944       6.199268  5.260562       12.39854  22.33833       12.39854  30.60943 12.59119  44.22553 13.10085  -13.61610      18.17059  
1 1 1 21 8  22 o 43.16035 9.908874  22.20491       6.909253  22.12867       13.81851  22.28115       13.81851  43.09678 14.01432  43.22393 14.01221  -0.1271591     19.81775  
1 1 1 21 8  23 o 97.29579 6.202611  103.4101       8.495998  113.8168       16.99200  93.00331       16.99200  102.6438 8.277167  91.94779 9.240025  10.69601       12.40522  
1 1 1 21 9  0  o 135.6701 2.319566  184.2340       6.289802  184.2340       6.289802  184.2340       6.289802  135.6701 2.319566  135.6701 2.319566  0.000000       0.000000  
1 1 1 21 9  1  o 139.5974 1.108164  195.7701       2.172841  222.0681       4.345681  169.4721       4.345681  149.0166 1.458120  130.1781 1.669129  18.83850       2.216327  
1 1 1 21 9  2  o 237.6288 1.443050  564.9910       4.846007  589.6785       9.692014  540.3036       9.692014  242.8233 1.995692  232.4343 2.084893  10.38907       2.886099  
1 1 1 21 9  3  o 575.6852 3.091917  3317.542       25.14968  3480.824       50.29936  3154.260       50.29936  589.8668 4.263620  561.5036 4.478988  28.36316       6.183833  
1 1 1 21 9  4  o 495.2861 2.682064  2454.152       18.78364  2406.841       37.56728  2501.464       37.56728  490.5099 3.829411  500.0623 3.756260  -9.552429      5.364128  
1 1 1 21 9  5  o 212.4405 1.421107  451.7032       4.264677  476.5288       8.529353  426.8774       8.529353  218.2834 1.953733  206.5975 2.064244  11.68593       2.842214  
1 1 1 21 9  6  o 398.3135 2.240428  1588.099       12.60820  1668.484       25.21639  1507.713       25.21639  408.4042 3.087186  388.2227 3.247670  20.18146       4.480857  
1 1 1 21 9  7  o 330.1099 1.898509  1090.080       8.862904  1098.667       17.72581  1081.493       17.72581  331.4104 2.674298  328.8093 2.695454  2.601105       3.797018  
1 1 1 21 9  8  o 59.48149 1.546494  35.38967       1.300845  35.00370       2.601691  35.77563       2.601691  59.15704 2.198970  59.80593 2.175111  -0.6488876     3.092988  
1 1 1 21 9  9  o 199.3066 1.490779  400.2935       4.155082  331.6441       8.310163  468.9429       8.310163  182.0845 2.281952  216.5287 1.918952  -34.44412      2.981557  
1 1 1 21 9  10 o 31.24612 4.126290  10.60689       1.748756  4.574402       3.497512  16.63939       3.497512  21.72532 7.050109  40.76692 4.289644  -19.04161      8.252581  
1 1 1 21 9  11 o 185.2298 1.396390  343.3994       3.654756  326.9554       7.309513  359.8434       7.309513  180.7910 2.021536  189.6686 1.926917  -8.877625      2.792779  
1 1 1 21 9  12 o 169.4832 1.405429  287.8633       3.359326  312.4984       6.718653  263.2282       6.718653  176.7509 1.900599  162.2155 2.070904  14.53540       2.810858  
1 1 1 21 9  13 o 64.24407 2.456860  41.40787       2.225256  45.16269       4.450512  37.65305       4.450512  67.16638 3.313050  61.32176 3.628819  5.844620       4.913719  
1 1 1 21 9  14 o 67.73337 2.761423  45.96321       2.644576  47.06869       5.289153  44.85773       5.289153  68.54942 3.857912  66.91731 3.952006  1.632103       5.522847  
1 1 1 21 9  15 o 185.5003 1.734541  344.8718       4.541047  370.2787       9.082094  319.4648       9.082094  192.3485 2.360843  178.6521 2.541839  13.69646       3.469081  
1 1 1 21 9  16 o 181.8730 1.763875  331.4535       4.531517  349.9131       9.063033  312.9939       9.063033  186.9478 2.423947  176.7981 2.563103  10.14972       3.527750  
1 1 1 21 9  17 o 63.91449 3.866958  41.22680       3.492747  43.02797       6.985494  39.42563       6.985494  65.32353 5.346843  62.50544 5.587908  2.818092       7.733915  
1 1 1 21 9  18 o 42.21822 6.277341  19.34591       4.026426  33.82198       8.052853  4.869832       8.052853  57.66358 6.982616  26.77285 10.43375  30.89073       12.55468  
1 1 1 21 9  19 o 85.32312 4.100425  74.75812       4.855536  58.46657       9.711073  91.04966       9.711073  75.77615 6.407737  94.87009 5.118091  -19.09393      8.200850  
1 1 1 21 9  20 o 89.24586 4.817066  81.58636       6.075377  78.09838       12.15075  85.07435       12.15075  87.29172 6.959855  91.20000 6.661599  -3.908287      9.634131  
1 1 1 21 9  21 o 33.21916 8.778902  9.005854       5.860952  16.14383       11.72190  1.867881       11.72190  38.52592 12.90746  27.91241 11.90269  10.61351       17.55780  
1 1 1 21 9  22 o 58.72543 8.428957  40.35004       6.871132  26.20751       13.74226  54.49256       13.74226  46.56976 13.79195  70.88109 9.693888  -24.31133      16.85791  
1 1 1 21 9  23 o 40.91198 15.17369  21.60452       16.50597  21.60452       16.50597  ?              ?         40.91198 15.17369  ?        ?         ?              ?         
1 1 1 21 10 0  o 628.0403 6.699599  3947.471       84.13087  3947.471       84.13087  3947.471       84.13087  628.0403 6.699599  628.0403 6.699599  0.000000       0.000000  
1 1 1 21 10 1  o 118.7240 1.128214  141.5635       1.882176  159.9897       3.764351  123.1372       3.764351  126.4842 1.488072  110.9639 1.696205  15.52025       2.256429  
1 1 1 21 10 2  o 123.6227 1.325222  152.8851       2.315791  158.2743       4.631582  147.4959       4.631582  125.8025 1.840815  121.4430 1.906895  4.359406       2.650443  
1 1 1 21 10 3  o 554.6292 2.999933  3077.491       23.52958  3107.124       47.05915  3047.857       47.05915  557.3007 4.222062  551.9577 4.262932  5.342957       5.999866  
1 1 1 21 10 4  o 339.7407 1.963714  1154.488       9.434704  1144.325       18.86941  1164.652       18.86941  338.2449 2.789311  341.2365 2.764858  -2.991638      3.927429  
1 1 1 21 10 5  o 345.1338 2.008617  1193.595       9.777783  1093.110       19.55557  1294.079       19.55557  330.5765 2.957798  359.6911 2.718384  -29.11462      4.017235  
1 1 1 21 10 6  o 386.1053 2.153713  1491.274       11.76003  1489.111       23.52005  1493.437       23.52005  385.8252 3.048019  386.3855 3.043599  -0.5603027     4.307425  
1 1 1 21 10 7  o 307.2792 1.805978  946.7869       7.819368  853.5453       15.63874  1040.028       15.63874  292.1071 2.676884  322.4513 2.424977  -30.34421      3.611955  
1 1 1 21 10 8  o 325.8395 1.862344  1062.081       8.581769  1065.502       17.16354  1058.660       17.16354  326.3645 2.629505  325.3145 2.637992  1.049988       3.724687  
1 1 1 21 10 9  f 351.4661 2.033388  1235.899       10.10657  1247.763       20.21314  1224.034       20.21314  353.1540 2.861802  349.7782 2.889422  3.375824       4.066777  
1 1 1 21 10 10 o 272.1553 1.769476  744.2170       6.766303  841.7376       13.53261  646.6965       13.53261  290.0717 2.332631  254.2390 2.661394  35.83267       3.538953  
1 1 1 21 10 11 o 225.9537 1.565794  510.7605       5.003252  505.5762       10.00650  515.9448       10.00650  224.8065 2.225582  227.1009 2.203096  -2.294403      3.131589  
1 1 1 21 10 12 o 137.1823 1.450760  188.6083       2.806586  204.9618       5.613173  172.2548       5.613173  143.1428 1.960689  131.2218 2.138810  11.92099       2.901519  
1 1 1 21 10 13 o 59.22807 2.712464  35.17048       2.268141  32.81180       4.536282  37.52915       4.536282  57.23688 3.962726  61.21925 3.704948  -3.982365      5.424927  
1 1 1 21 10 14 o 210.6198 1.598790  444.2983       4.755473  471.4874       9.510944  417.1092       9.510944  217.0743 2.190711  204.1653 2.329227  12.90909       3.197579  
1 1 1 21 10 15 o 101.9918 2.316789  104.2249       3.340266  100.7131       6.680532  107.7367       6.680532  100.2702 3.331265  103.7134 3.220670  -3.443222      4.633578  
1 1 1 21 10 16 o 238.5480 1.824635  570.0896       6.151618  546.6125       12.30324  593.5667       12.30324  233.6271 2.633092  243.4688 2.526656  -9.841675      3.649269  
1 1 1 21 10 17 o 109.5664 2.457251  120.5927       3.802472  127.7306       7.604944  113.4547       7.604944  112.8238 3.370275  106.3090 3.576810  6.514740       4.914501  
1 1 1 21 10 18 o 95.89894 3.267057  93.11292       4.398098  106.0403       8.796194  80.18546       8.796194  102.6391 4.285012  89.15880 4.932881  13.48028       6.534113  
1 1 1 21 10 19 o 127.2739 2.959866  163.3443       5.327272  161.4859       10.65454  165.2026       10.65454  126.5438 4.209824  128.0040 4.161803  -1.460114      5.919732  
1 1 1 21 10 20 o 27.71200 8.409431  0.6671001      5.937192  3.059131       11.87438  -1.724931      11.87438  29.06644 12.16726  26.35756 11.61172  2.708889       16.81886  
1 1 1 21 10 21 o 74.57341 5.965614  58.25214       6.289802  59.74360       12.57960  56.76070       12.57960  75.57339 8.322774  73.57342 8.549015  1.999977       11.93123  
1 1 1 21 10 22 o 64.52699 8.031074  48.16941       6.928313  64.53719       13.85663  31.80162       13.85663  77.59636 8.928657  51.45761 13.35184  26.13875       16.06215  
1 1 1 21 11 0  o 682.8129 7.240614  4666.614       98.85474  4666.614       98.85474  4666.614       98.85474  682.8129 7.240614  682.8129 7.240614  0.000000       0.000000  
1 1 1 21 11 1  o 448.3105 2.487497  2012.298       15.74833  2136.493       31.49666  1888.104       31.49666  462.1620 3.407535  434.4590 3.624814  27.70291       4.974995  
1 1 1 21 11 2  o 580.7517 3.295543  3374.531       27.06521  3412.875       54.13042  3336.188       54.13042  584.0530 4.634034  577.4504 4.687019  6.602539       6.591086  
1 1 1 21 11 3  o 388.9131 2.200432  1514.036       12.08881  1597.162       24.17762  1430.911       24.17762  399.6001 3.025227  378.2262 3.196185  21.37384       4.400863  
1 1 1 21 11 4  o 239.6523 1.462208  574.4114       4.955602  570.0848       9.911204  578.7380       9.911204  238.7496 2.075648  240.5550 2.060070  -1.805374      2.924415  
1 1 1 21 11 5  o 111.1835 1.336431  123.6327       2.101366  123.8043       4.202732  123.4612       4.202732  111.2607 1.888687  111.1064 1.891309  0.1542969      2.672861  
1 1 1 21 11 6  o 230.4375 1.508255  535.0811       4.860302  626.9409       9.720604  443.2214       9.720604  250.3691 1.941255  210.5059 2.308867  39.86317       3.016511  
1 1 1 21 11 7  o 254.0044 1.552361  646.1628       5.565523  692.5740       11.13105  599.7517       11.13105  263.1403 2.115040  244.8685 2.272862  18.27179       3.104721  
1 1 1 21 11 8  o 145.6310 1.326794  212.2379       2.730346  222.1348       5.460692  202.3410       5.460692  149.0290 1.832091  142.2331 1.919628  6.795883       2.653588  
1 1 1 21 11 9  o 104.0543 1.423263  108.5515       2.087071  98.08279       4.174142  119.0202       4.174142  99.02393 2.107643  109.0847 1.913257  -10.06081      2.846526  
1 1 1 21 11 10 o 96.80573 1.509655  93.85148       2.063246  100.1794       4.126492  87.52356       4.126492  100.0741 2.061718  93.53738 2.205798  6.536713       3.019309  
1 1 1 21 11 11 o 133.0601 1.393624  177.1818       2.620751  169.8056       5.241503  184.5580       5.241503  130.2884 2.011501  135.8319 1.929408  -5.543503      2.787248  
1 1 1 21 11 12 o 121.1708 1.486023  146.9526       2.544511  140.3007       5.089022  153.6046       5.089022  118.4260 2.148609  123.9157 2.053421  -5.489738      2.972046  
1 1 1 21 11 13 o 200.7125 1.537856  403.3575       4.359977  380.5712       8.719954  426.1436       8.719954  195.0362 2.235471  206.3889 2.112506  -11.35268      3.075713  
1 1 1 21 11 14 o 82.60883 2.437083  69.68816       2.763701  50.49949       5.527402  88.87681       5.527402  70.99465 3.892830  94.22299 2.933150  -23.22834      4.874166  
1 1 1 21 11 15 f 102.5971 2.322716  105.4686       3.368856  108.8040       6.737713  102.1330       6.737713  104.2226 3.232366  100.9715 3.336442  3.251083       4.645432  
1 1 1 21 11 16 o 220.6585 1.817103  487.5836       5.670352  490.3091       11.34070  484.8581       11.34070  221.2761 2.562569  220.0409 2.576954  1.235199       3.634206  
1 1 1 21 11 17 o 161.2495 1.999891  261.0173       4.550577  241.1282       9.101154  280.9064       9.101154  155.0822 2.934299  167.4166 2.718115  -12.33440      3.999783  
1 1 1 21 11 18 o 178.2451 2.107728  318.7643       5.312977  321.1707       10.62595  316.3580       10.62595  178.9202 2.969468  177.5701 2.992044  1.350021       4.215456  
1 1 1 21 11 19 o 92.08275 3.823059  86.12740       4.969897  91.90736       9.939795  80.34746       9.939795  95.22120 5.219318  88.94429 5.587652  6.276909       7.646119  
1 1 1 21 11 20 o 72.58199 5.565194  54.54021       5.689413  49.06999       11.37883  60.01044       11.37883  68.81367 8.267851  76.35029 7.451724  -7.536613      11.13039  
1 1 1 21 11 21 o 145.3620 3.208648  214.4870       6.589998  224.9939       13.18000  203.9802       13.18000  148.9760 4.423530  141.7480 4.649095  7.228043       6.417297  
1 1 1 21 11 22 o 49.24538 14.52894  30.00045       15.27660  30.00045       15.27660  ?              ?         49.24538 14.52894  ?        ?         ?              ?         
1 1 1 21 12 0  o 78.23958 2.594625  61.42087       4.050251  61.42087       4.050251  61.42087       4.050251  78.23958 2.594625  78.23958 2.594625  0.000000       0.000000  
1 1 1 21 12 1  o 173.6450 1.235781  301.8248       3.030541  320.1033       6.061082  283.5462       6.061082  178.9082 1.693908  168.3818 1.799803  10.52640       2.471561  
1 1 1 21 12 2  o 586.4032 3.150845  3440.679       26.12650  3505.012       52.25301  3376.347       52.25301  591.8885 4.414093  580.9179 4.497452  10.97058       6.301689  
1 1 1 21 12 3  o 374.0424 2.141198  1399.433       11.32641  1397.451       22.65282  1401.416       22.65282  373.7774 3.030255  374.3074 3.025965  -0.5299683     4.282395  
1 1 1 21 12 4  o 579.9484 3.116168  3366.622       25.54517  3489.173       51.09035  3244.071       51.09035  590.5140 4.325922  569.3827 4.486469  21.13135       6.232335  
1 1 1 21 12 5  o 77.46983 1.416776  60.48693       1.534331  71.02711       3.068661  49.94675       3.068661  84.27260 1.820676  70.66706 2.171211  13.60554       2.833552  
1 1 1 21 12 6  o 195.8875 1.324503  385.4553       3.645226  334.7128       7.290452  436.1978       7.290452  182.9355 1.992629  208.8394 1.745468  -25.90393      2.649006  
1 1 1 21 12 7  o 263.8823 1.561623  696.5146       5.827598  702.4471       11.65520  690.5822       11.65520  265.0064 2.199040  262.7583 2.217855  2.248108       3.123245  
1 1 1 21 12 8  o 219.9626 1.413219  484.1481       4.393332  504.1848       8.786663  464.1112       8.786663  224.5172 1.956791  215.4080 2.039540  9.109192       2.826439  
1 1 1 21 12 9  o 412.4415 2.409782  1703.741       14.03770  1604.052       28.07539  1803.429       28.07539  400.3563 3.506300  424.5267 3.306669  -24.17041      4.819565  
1 1 1 21 12 10 o 60.40591 1.957840  36.50944       1.672516  36.61428       3.345031  36.40462       3.345031  60.49268 2.764823  60.31914 2.772778  0.1735382      3.915679  
1 1 1 21 12 11 o 337.3926 2.072193  1139.850       9.877850  1197.550       19.75570  1082.151       19.75570  345.9434 2.855337  328.8419 3.003829  17.10153       4.144386  
1 1 1 21 12 12 o 170.0612 1.502632  289.6835       3.607106  269.2417       7.214212  310.1254       7.214212  164.0510 2.198771  176.0713 2.048662  -12.02029      3.005264  
1 1 1 21 12 13 o 201.2367 1.634963  405.2968       4.650642  420.0826       9.301284  390.5110       9.301284  204.9104 2.269598  197.5629 2.354006  7.347458       3.269926  
1 1 1 21 12 14 o 53.17027 3.398988  28.36605       2.554041  29.59066       5.108082  27.14145       5.108082  54.32186 4.701682  52.01868 4.909853  2.303181       6.797976  
1 1 1 21 12 15 o 125.7127 2.069319  158.2695       3.678581  160.7807       7.357163  155.7584       7.357163  126.7114 2.903117  124.7139 2.949616  1.997528       4.138638  
1 1 1 21 12 16 o 70.56381 3.537624  50.18500       3.516572  55.25496       7.033143  45.11504       7.033143  74.15627 4.742109  66.97134 5.250860  7.184929       7.075248  
1 1 1 21 12 17 o 78.39729 3.513739  61.99267       3.888242  57.59935       7.776483  66.38600       7.776483  75.59532 5.143495  81.19925 4.788519  -5.603928      7.027478  
1 1 1 21 12 18 o 83.57271 4.030858  71.50838       4.679232  56.23655       9.358463  86.78021       9.358463  74.43585 6.286261  92.70956 5.047194  -18.27370      8.061715  
1 1 1 21 12 19 o 40.10397 8.545699  17.44944       5.332037  13.49448       10.66407  21.40439       10.66407  36.23845 12.31129  43.96950 11.85529  -7.731052      17.09140  
1 1 1 21 12 20 o 59.91068 6.930242  39.25409       5.517872  26.53153       11.03574  51.97664       11.03574  48.88874 11.47169  70.93262 7.779033  -22.04388      13.86048  
1 1 1 21 12 21 o 77.02051 6.487742  64.21317       6.837778  81.75790       13.67556  46.66843       13.67556  88.41016 7.734154  65.63085 10.41854  22.77930       12.97548  
1 1 1 21 12 22 o 33.54156 13.85357  8.605594       15.07647  8.605594       15.07647  ?              ?         33.54156 13.85357  ?        ?         ?              ?         
1 1 1 21 13 0  o 240.0441 2.859385  576.5176       13.72320  576.5176       13.72320  576.5176       13.72320  240.0441 2.859385  240.0441 2.859385  0.000000       0.000000  
1 1 1 21 13 1  o 448.3111 2.441847  2010.459       15.48149  2008.086       30.96298  2012.832       30.96298  448.0464 3.455332  448.5758 3.451254  -0.5293884     4.883695  
1 1 1 21 13 2  o 270.9655 1.734639  734.3487       6.647178  732.8192       13.29436  735.8784       13.29436  270.6832 2.455703  271.2477 2.450593  -0.5644836     3.469277  
1 1 1 21 13 3  o 539.1179 2.922259  2908.790       22.27162  2816.087       44.54324  3001.494       44.54324  530.5203 4.198071  547.7156 4.066274  -17.19537      5.844518  
1 1 1 21 13 4  o 235.8622 1.450053  556.4140       4.836477  563.7188       9.672954  549.1093       9.672954  237.4107 2.037177  234.3136 2.064104  3.097061       2.900106  
1 1 1 21 13 5  o 85.95377 1.509285  75.05832       1.791641  93.61323       3.583282  56.50339       3.583282  96.74731 1.851876  75.16022 2.383762  21.58709       3.018570  
1 1 1 21 13 6  f 351.0556 2.005134  1232.925       9.954089  1215.466       19.90818  1250.384       19.90818  348.5689 2.855702  353.5422 2.815531  -4.973297      4.010267  
1 1 1 21 13 7  o 237.3961 1.532254  564.2524       5.136672  528.9914       10.27334  599.5134       10.27334  229.9695 2.233632  244.8228 2.098119  -14.85326      3.064509  
1 1 1 21 13 8  o 149.8622 1.282908  224.7890       2.716051  236.7825       5.432102  212.7954       5.432102  153.8637 1.765232  145.8607 1.862086  8.003036       2.565815  
1 1 1 21 13 9  o 98.96209 1.351667  97.95892       1.891706  97.95892       3.783412  97.95892       3.783412  98.96209 1.911546  98.96209 1.911546  0.000000       2.703334  
1 1 1 21 13 10 o 170.8431 1.381408  292.0803       3.335501  304.0357       6.671002  280.1249       6.671002  174.3421 1.913194  167.3442 1.993198  6.997879       2.762816  
1 1 1 21 13 11 o 437.0615 2.598877  1912.338       16.06282  1890.486       32.12564  1934.191       32.12564  434.5616 3.696329  439.5614 3.654284  -4.999817      5.197753  
1 1 1 21 13 12 o 310.7043 1.932810  968.3438       8.462644  874.3207       16.92529  1062.367       16.92529  295.5737 2.863124  325.8350 2.597218  -30.26123      3.865620  
1 1 1 21 13 13 o 263.0798 1.789696  693.3364       6.647178  740.1286       13.29436  646.5440       13.29436  271.9730 2.444058  254.1866 2.615077  17.78635       3.579392  
1 1 1 21 13 14 o 141.3579 1.824123  200.7352       3.626166  176.2765       7.252333  225.1940       7.252333  132.7066 2.732470  150.0093 2.417295  -17.30270      3.648247  
1 1 1 21 13 15 o 193.1882 1.723635  373.6762       4.707822  363.5125       9.415645  383.8400       9.415645  190.5576 2.470550  195.8187 2.404174  -5.261063      3.447270  
1 1 1 21 13 16 o 130.2667 2.067198  170.0582       3.807237  165.4409       7.614474  174.6754       7.614474  128.4945 2.962958  132.0390 2.883419  -3.544495      4.134396  
1 1 1 21 13 17 o 123.7723 2.437556  153.9382       4.259912  143.9507       8.519823  163.9256       8.519823  119.7377 3.557704  127.8069 3.333085  -8.069206      4.875112  
1 1 1 21 13 18 o 58.67190 5.675299  35.26578       4.707822  34.35566       9.415645  36.17590       9.415645  57.89630 8.131473  59.44749 7.919295  -1.551189      11.35060  
1 1 1 21 13 19 o 107.8192 3.560591  117.7766       5.422573  124.3951       10.84515  111.1580       10.84515  110.8885 4.890110  104.7499 5.176683  6.138603       7.121181  
1 1 1 21 13 20 o 35.27925 8.671950  9.939795       6.051552  22.16679       12.10310  -2.287201      12.10310  44.35028 12.88361  26.20822 11.61136  18.14206       17.34390  
1 1 1 21 13 21 o 42.84940 9.741003  20.32750       7.276158  8.729484       14.55232  31.92551       14.55232  33.94122 13.75049  51.75759 13.80118  -17.81638      19.48201  
1 1 1 21 13 22 o 29.64664 13.14962  0.4765002      15.58156  0.4765002      15.58156  ?              ?         29.64664 13.14962  ?        ?         ?              ?         
1 1 1 21 14 0  o 296.2785 3.903218  878.4663       23.11979  878.4663       23.11979  878.4663       23.11979  296.2785 3.903218  296.2785 3.903218  0.000000       0.000000  
1 1 1 21 14 1  o 310.8639 1.761448  966.6044       7.743128  981.4951       15.48626  951.7138       15.48626  313.2589 2.471798  308.4689 2.510182  4.790070       3.522896  
1 1 1 21 14 2  o 316.1490 1.859860  999.7689       8.314929  986.5366       16.62986  1013.001       16.62986  314.0562 2.647592  318.2417 2.612771  -4.185486      3.719720  
1 1 1 21 14 3  o 313.9547 1.836567  986.0171       8.152919  964.7700       16.30584  1007.264       16.30584  310.5709 2.625139  317.3385 2.569155  -6.767578      3.673134  
1 1 1 21 14 4  o 490.2117 2.824620  2404.740       19.57940  2450.622       39.15878  2358.857       39.15878  494.8916 3.956300  485.5319 4.032567  9.359711       5.649239  
1 1 1 21 14 5  o 265.5476 1.639369  705.3346       6.156383  710.4141       12.31277  700.2551       12.31277  266.5040 2.310053  264.5912 2.326753  1.912842       3.278738  
1 1 1 21 14 6  o 238.5763 1.525900  569.8228       5.141437  603.8973       10.28287  535.7482       10.28287  245.7175 2.092418  231.4351 2.221546  14.28244       3.051800  
1 1 1 21 14 7  o 388.4413 2.185228  1510.134       11.99827  1454.898       23.99655  1565.370       23.99655  381.3313 3.146418  395.5512 3.033305  -14.21988      4.370456  
1 1 1 21 14 8  o 155.4351 1.227804  242.3289       2.687461  268.0790       5.374923  216.5789       5.374923  163.7183 1.641516  147.1518 1.826318  16.56645       2.455608  
1 1 1 21 14 9  o 125.0067 1.342641  156.5446       2.368206  144.3700       4.736412  168.7192       4.736412  120.1371 1.971253  129.8763 1.823433  -9.739151      2.685283  
1 1 1 21 14 10 o 106.0986 1.481553  112.8543       2.215726  123.3850       4.431452  102.3236       4.431452  111.0613 1.995048  101.1359 2.190839  9.925346       2.963105  
1 1 1 21 14 11 o 136.0039 1.576115  185.0822       3.030541  190.3904       6.061082  179.7740       6.061082  137.9554 2.196754  134.0524 2.260713  3.903000       3.152229  
1 1 1 21 14 12 o 127.5966 1.653808  162.9488       2.982891  168.6811       5.965783  157.2165       5.965783  129.8429 2.297309  125.3503 2.379643  4.492523       3.307617  
1 1 1 21 14 13 o 131.8672 1.771639  174.7421       3.283086  152.1751       6.566173  197.3092       6.566173  123.3105 2.662454  140.4240 2.337982  -17.11344      3.543278  
1 1 1 21 14 14 o 67.61960 3.188138  46.36823       2.997186  36.62380       5.994372  56.11266       5.994372  60.41428 4.961057  74.82493 4.005599  -14.41065      6.376276  
1 1 1 21 14 15 o 163.4773 1.794519  268.1267       4.136022  292.3424       8.272044  243.9109       8.272044  170.8838 2.420372  156.0708 2.650093  14.81291       3.589037  
1 1 1 21 14 16 o 62.92219 3.901884  40.24997       3.426036  47.71673       6.852073  32.78321       6.852073  68.85551 4.975689  56.98886 6.011765  11.86665       7.803769  
1 1 1 21 14 17 o 59.03860 4.379078  35.32772       3.654756  34.18413       7.309513  36.47133       7.309513  58.07008 6.293700  60.00712 6.090538  -1.937038      8.758157  
1 1 1 21 14 18 o 220.8566 2.097722  489.4371       6.551878  492.7584       13.10376  486.1159       13.10376  221.6085 2.956510  220.1047 2.976709  1.503769       4.195444  
1 1 1 21 14 19 o 33.03332 8.357235  10.03986       5.050902  6.175443       10.10180  13.90427       10.10180  29.62696 11.65321  36.43967 11.98233  -6.812712      16.71447  
1 1 1 21 14 20 o 49.91779 8.025275  27.88479       5.856187  39.76870       11.71237  16.00088       11.71237  61.33791 9.547420  38.49767 12.90221  22.84024       16.05055  
1 1 1 21 14 21 o 48.28242 9.254779  27.35111       6.761538  36.90971       13.52308  17.79252       13.52308  56.63789 12.28352  39.92695 13.84626  16.71094       18.50956  
1 1 1 21 14 22 o 43.94984 14.81767  24.13950       15.44814  24.13950       15.44814  ?              ?         43.94984 14.81767  ?        ?         ?              ?         
1 1 1 21 15 0  o 917.4692 9.570054  8433.110       175.5617  8433.110       175.5617  8433.110       175.5617  917.4692 9.570054  917.4692 9.570054  0.000000       0.000000  
1 1 1 21 15 1  o 198.9995 1.390382  396.4386       3.907302  371.9275       7.814603  420.9498       7.814603  192.8409 2.026179  205.1581 1.904532  -12.31720      2.780764  
1 1 1 21 15 2  o 129.5935 1.203588  168.4285       2.196666  150.7170       4.393332  186.1400       4.393332  122.7600 1.789398  136.4270 1.610140  -13.66698      2.407176  
1 1 1 21 15 3  o 369.5496 2.123520  1367.327       11.08340  1448.199       22.16679  1286.455       22.16679  380.4915 2.912915  358.6077 3.090674  21.88382       4.247039  
1 1 1 21 15 4  o 237.5137 1.574317  564.8481       5.279623  601.6387       10.55925  528.0576       10.55925  245.2586 2.152676  229.7687 2.297799  15.48988       3.148633  
1 1 1 21 15 5  o 218.8608 1.504494  479.1877       4.655407  466.4174       9.310814  491.9579       9.310814  215.9433 2.155846  221.7782 2.099127  -5.834869      3.008988  
1 1 1 21 15 6  o 154.5260 1.205084  239.0125       2.630281  225.3655       5.260562  252.6595       5.260562  150.1103 1.752232  158.9418 1.654871  -8.831512      2.410169  
1 1 1 21 15 7  o 288.2572 1.788961  831.7645       7.285687  789.2940       14.57137  874.2349       14.57137  280.8904 2.593783  295.6240 2.464512  -14.73352      3.577922  
1 1 1 21 15 8  o 77.31857 1.603132  59.89607       1.748756  55.12154       3.497512  64.67061       3.497512  74.23100 2.355829  80.40614 2.174903  -6.175140      3.206265  
1 1 1 21 15 9  f 188.6280 1.386221  355.9218       3.697641  360.6630       7.395282  351.1806       7.395282  189.8848 1.947308  187.3712 1.973431  2.513519       2.772443  
1 1 1 21 15 10 o 37.14405 3.870153  15.77692       1.739226  5.479752       3.478451  26.07409       3.478451  23.24909 6.949843  51.03901 3.407640  -27.78992      7.740306  
1 1 1 21 15 11 o 56.86596 2.716572  32.63550       2.158546  26.84602       4.317091  38.42498       4.317091  51.77550 4.169049  61.95641 3.483975  -10.18092      5.433144  
1 1 1 21 15 12 o 204.7216 1.657407  419.3393       4.798357  423.3895       9.596713  415.2890       9.596713  205.7108 2.332574  203.7324 2.355225  1.978409       3.314813  
1 1 1 21 15 13 o 64.93825 2.914478  42.39421       2.663636  37.60540       5.327272  47.18305       5.327272  61.25103 4.348721  68.62547 3.881411  -7.374432      5.828956  
1 1 1 21 15 14 o 57.31119 3.480506  32.96905       2.820881  32.68791       5.641763  33.25018       5.641763  57.06591 4.943198  57.55646 4.901068  -0.4905434     6.961011  
1 1 1 21 15 15 o 62.33375 3.754260  39.13973       3.302146  36.14730       6.604293  42.13215       6.604293  59.93343 5.509691  64.73407 5.101095  -4.800644      7.508519  
1 1 1 21 15 16 o 49.72173 5.513093  25.79295       3.716702  31.10593       7.433403  20.47998       7.433403  55.40745 6.707946  44.03601 8.751013  11.37143       11.02619  
1 1 1 21 15 17 o 117.7879 2.771868  139.4907       4.617287  139.9195       9.234573  139.0618       9.234573  117.9700 3.913951  117.6059 3.926068  0.3640823      5.543737  
1 1 1 21 15 18 o 100.1753 3.505179  101.7661       4.936542  89.18178       9.873084  114.3505       9.873084  93.89409 5.257564  106.4564 4.637147  -12.56235      7.010358  
1 1 1 21 15 19 o 62.16749 6.393025  43.72366       4.922247  20.80400       9.844495  66.64332       9.844495  43.44626 11.24515  80.88873 6.085208  -37.44247      12.78605  
1 1 1 21 15 20 o 121.5316 3.569360  150.2024       6.132557  154.7292       12.26511  145.6756       12.26511  123.3940 4.969900  119.6692 5.124590  3.724754       7.138721  
1 1 1 21 15 21 o 29.80908 8.830200  1.906000       6.666237  11.42647       13.33247  -7.614474      13.33247  34.88238 13.45986  24.73577 11.43336  10.14661       17.66040  
1 1 1 21 15 22 o 37.65022 14.16463  15.80075       14.48561  15.80075       14.48561  ?              ?         37.65022 14.16463  ?        ?         ?              ?         
1 1 1 21 16 0  o 795.2346 8.450784  6334.317       134.3730  6334.317       134.3730  6334.317       134.3730  795.2346 8.450784  795.2346 8.450784  0.000000       0.000000  
1 1 1 21 16 1  o 245.3990 1.524122  602.3296       5.289153  595.4346       10.57831  609.2245       10.57831  243.9941 2.167737  246.8038 2.143059  -2.809692      3.048244  
1 1 1 21 16 2  o 58.12344 1.797543  33.79816       1.477151  34.71780       2.954301  32.87851       2.954301  58.91455 2.507277  57.33232 2.576471  1.582226       3.595085  
1 1 1 21 16 3  o 230.0464 1.420372  529.5872       4.617287  553.9696       9.234573  505.2046       9.234573  235.3459 1.961916  224.7469 2.054439  10.59894       2.840745  
1 1 1 21 16 4  o 354.2879 2.159719  1256.093       10.81655  1214.418       21.63311  1297.767       21.63311  348.4064 3.104579  360.1694 3.003186  -11.76294      4.319437  
1 1 1 21 16 5  o 286.1057 1.862841  819.8091       7.523938  876.1599       15.04788  763.4582       15.04788  295.9536 2.542270  276.2577 2.723521  19.69586       3.725682  
1 1 1 21 16 6  o 100.4284 1.348737  100.8799       1.915531  100.0936       3.831062  101.6661       3.831062  100.0370 1.914822  100.8199 1.899954  -0.7828751     2.697474  
1 1 1 21 16 7  o 100.2591 1.375830  101.4278       1.925061  82.53936       3.850122  120.3163       3.850122  90.83930 2.119194  109.6789 1.755178  -18.83965      2.751660  
1 1 1 21 16 8  o 434.9542 2.448686  1893.464       15.06217  1902.894       30.12434  1884.034       30.12434  436.0382 3.454324  433.8702 3.471585  2.168060       4.897372  
1 1 1 21 16 9  o 243.9765 1.584122  595.4966       5.465457  602.9061       10.93091  588.0870       10.93091  245.4950 2.226301  242.4580 2.254187  3.037003       3.168245  
1 1 1 21 16 10 o 65.30607 2.052343  43.52829       1.839291  55.58851       3.678581  31.46807       3.678581  74.53968 2.467532  56.07245 3.280204  18.46723       4.104687  
1 1 1 21 16 11 o 286.5500 1.876296  821.8818       7.600178  850.1525       15.20036  793.6111       15.20036  291.4830 2.607417  281.6171 2.698763  9.865906       3.752592  
1 1 1 21 16 12 o 57.15602 3.203163  33.43126       2.506391  23.83454       5.012782  43.02797       5.012782  48.76083 5.140173  65.55121 3.823562  -16.79038      6.406326  
1 1 1 21 16 13 o 215.6163 1.643954  465.2262       5.012782  468.3806       10.02556  462.0718       10.02556  216.3477 2.317002  214.8848 2.332777  1.462967       3.287909  
1 1 1 21 16 14 o 157.0519 1.825931  247.7086       4.035956  219.7333       8.071913  275.6840       8.071913  148.1455 2.724319  165.9583 2.431910  -17.81279      3.651863  
1 1 1 21 16 15 o 59.80462 4.216027  36.96212       3.426036  48.61255       6.852073  25.31169       6.852073  69.54503 4.926357  50.06421 6.843285  19.48082       8.432055  
1 1 1 21 16 16 o 154.1375 2.090021  238.2310       4.555342  233.9426       9.110683  242.5195       9.110683  152.7464 2.982291  155.5287 2.928941  -2.782257      4.180042  
1 1 1 21 16 17 o 123.5117 2.695514  153.6665       4.693527  167.6328       9.387053  139.7003       9.387053  129.1655 3.633730  117.8579 3.982360  11.30761       5.391028  
1 1 1 21 16 18 o 27.97955 7.315441  2.006066       4.669702  14.42842       9.339403  -10.41630      9.339403  36.76855 11.46945  19.19055 9.083740  17.57800       14.63088  
1 1 1 21 16 19 o 115.6880 3.500104  135.9503       5.698943  120.7928       11.39789  151.1077       11.39789  109.1370 5.221825  122.2390 4.662131  -13.10202      7.000208  
1 1 1 21 16 20 o 42.49886 8.480924  18.91229       6.232623  3.144901       12.46525  34.67968       12.46525  29.37005 12.38821  55.62767 11.58605  -26.25762      16.96185  
1 1 1 21 16 21 o 60.00960 8.746082  42.66583       7.347633  59.23850       14.69527  26.09315       14.69527  73.75618 9.962058  46.26301 14.37822  27.49317       17.49216  
1 1 1 21 16 22 o 20.50593 10.14928  -29.20946      15.48626  -29.20946      15.48626  ?              ?         20.50593 10.14928  ?        ?         ?              ?         
1 1 1 21 17 0  o 87.68227 3.139001  77.19302       5.489282  77.19302       5.489282  77.19302       5.489282  87.68227 3.139001  87.68227 3.139001  0.000000       0.000000  
1 1 1 21 17 1  o 432.8050 2.425051  1874.175       14.84298  1861.915       29.68596  1886.436       29.68596  431.3886 3.440745  434.2214 3.418298  -2.832764      4.850102  
1 1 1 21 17 2  o 214.7654 1.589378  462.5864       4.807887  510.4175       9.615773  414.7553       9.615773  225.9010 2.128315  203.6297 2.361093  22.27132       3.178755  
1 1 1 21 17 3  o 291.4334 1.703511  850.1240       7.014082  806.5624       14.02816  893.6856       14.02816  283.9598 2.470097  298.9071 2.346576  -14.94733      3.407022  
1 1 1 21 17 4  o 192.1543 1.369525  369.3115       3.721466  373.5095       7.442933  365.1135       7.442933  193.2467 1.925760  191.0620 1.947780  2.184692       2.739050  
1 1 1 21 17 5  o 176.6342 1.408440  312.1601       3.516572  300.9956       7.033143  323.3244       7.033143  173.4738 2.027148  179.7945 1.955884  -6.320648      2.816880  
1 1 1 21 17 6  o 330.8822 1.899179  1098.042       8.853374  1208.071       17.70675  988.0137       17.70675  347.5088 2.547669  314.2556 2.817252  33.25311       3.798358  
1 1 1 21 17 7  o 250.9650 1.583446  631.6058       5.598877  568.5981       11.19775  694.6134       11.19775  238.4119 2.348405  263.5181 2.124665  -25.10617      3.166893  
1 1 1 21 17 8  o 265.8182 1.691752  707.1263       6.356512  732.9431       12.71302  681.3095       12.71302  270.6743 2.348399  260.9621 2.435799  9.712189       3.383503  
1 1 1 21 17 9  o 42.19087 2.936537  17.94500       1.734461  20.87071       3.468921  15.01929       3.468921  45.65810 3.798802  38.72364 4.479074  6.934460       5.873075  
1 1 1 21 17 10 o 430.0950 2.477895  1851.637       15.07170  1851.432       30.14340  1851.842       30.14340  430.0712 3.504467  430.1188 3.504078  -0.4763794E-01 4.955790  
1 1 1 21 17 11 o 167.3137 1.488315  280.0773       3.521337  284.1085       7.042673  276.0461       7.042673  168.5184 2.089586  166.1090 2.119895  2.409348       2.976630  
1 1 1 21 17 12 o 209.1904 1.663890  437.8704       4.922247  442.4495       9.844495  433.2912       9.844495  210.2849 2.340752  208.0959 2.365375  2.188995       3.327780  
1 1 1 21 17 13 o 211.9853 1.691055  450.5309       5.055667  411.9630       10.11133  489.0989       10.11133  202.8884 2.491846  221.0821 2.286783  -18.19368      3.382110  
1 1 1 21 17 14 o 212.7952 1.841857  453.4138       5.541698  464.0635       11.08340  442.7640       11.08340  215.2976 2.573971  210.2929 2.635228  5.004700       3.683715  
1 1 1 21 17 15 o 99.28708 2.446330  99.09775       3.421271  109.2710       6.842543  88.92446       6.842543  104.4102 3.276758  94.16392 3.633315  10.24633       4.892660  
1 1 1 21 17 16 o 118.5102 2.624357  141.0345       4.398098  139.1667       8.796194  142.9024       8.796194  117.7221 3.735999  119.2983 3.686640  -1.576149      5.248714  
1 1 1 21 17 17 o 108.9933 3.039247  119.7159       4.679232  113.0926       9.358463  126.3392       9.358463  105.9549 4.416249  112.0317 4.176702  -6.076843      6.078494  
1 1 1 21 17 18 o 23.74800 7.154656  -3.154432      4.683997  6.442283       9.367994  -12.75115      9.367994  29.15255 11.27561  18.34345 8.810059  10.80910       14.30931  
1 1 1 21 17 19 o 45.53733 7.645577  22.29068       5.579817  6.423223       11.15963  38.15813       11.15963  30.65402 12.18750  60.42064 9.234953  -29.76661      15.29115  
1 1 1 21 17 20 o 52.91881 8.444855  31.95410       6.580468  46.90668       13.16094  17.00153       13.16094  66.29214 9.926467  39.54547 13.66483  26.74668       16.88971  
1 1 1 21 17 21 o 54.74636 9.604807  36.12824       7.409578  37.35761       14.81916  34.89887       14.81916  55.80022 13.42262  53.69250 13.74200  2.107723       19.20961  
1 1 1 21 17 22 o 31.56686 13.57562  7.147503       15.47673  7.147503       15.47673  ?              ?         31.56686 13.57562  ?        ?         ?              ?         
1 1 1 21 18 0  o 78.27013 2.845165  61.51618       4.440981  61.51618       4.440981  61.51618       4.440981  78.27013 2.845165  78.27013 2.845165  0.000000       0.000000  
1 1 1 21 18 1  o 305.8044 1.844470  935.4795       7.976613  927.4695       15.95323  943.4895       15.95323  304.4948 2.619622  307.1141 2.597280  -2.619324      3.688941  
1 1 1 21 18 2  o 224.6936 1.494225  505.4714       4.741177  473.9366       9.482354  537.0062       9.482354  217.6764 2.178085  231.7109 2.046160  -14.03458      2.988449  
1 1 1 21 18 3  o 165.6868 1.310013  274.6213       3.068661  266.8782       6.137322  282.3645       6.137322  163.3501 1.878579  168.0235 1.826329  -4.673355      2.620027  
1 1 1 21 18 4  o 135.8177 1.699582  184.7153       3.259262  172.6741       6.518523  196.7565       6.518523  131.3848 2.480699  140.2505 2.323886  -8.865692      3.399163  
1 1 1 21 18 5  o 38.28983 3.150755  15.00975       1.648691  19.43168       3.297381  10.58783       3.297381  44.06410 3.741573  32.51554 5.070469  11.54856       6.301510  
1 1 1 21 18 6  f 227.2901 1.458901  518.1892       4.669702  572.9724       9.339403  463.4060       9.339403  239.3415 1.951062  215.2388 2.169545  24.10275       2.917802  
1 1 1 21 18 7  o 468.4413 2.617675  2198.658       17.31602  2335.976       34.63203  2061.340       34.63203  483.0982 3.584368  453.7844 3.815912  29.31378       5.235349  
1 1 1 21 18 8  o 117.8073 1.342135  138.8760       2.234786  144.2843       4.469572  133.4677       4.469572  120.1026 1.860730  115.5119 1.934681  4.590775       2.684270  
1 1 1 21 18 9  f 36.22542 4.041015  15.22894       1.844056  26.37905       3.688112  4.078841       3.688112  51.33411 3.592263  21.11674 7.239810  30.21737       8.082029  
1 1 1 21 18 10 o 236.8882 1.664052  562.6848       5.555993  615.8765       11.11199  509.4931       11.11199  248.1154 2.239278  225.6610 2.462096  22.45435       3.328105  
1 1 1 21 18 11 o 195.0799 1.492334  380.7332       4.116962  384.5738       8.233924  376.8926       8.233924  196.0642 2.099802  194.0955 2.121101  1.968719       2.984667  
1 1 1 21 18 12 o 118.4333 1.812376  140.6772       3.025776  127.6735       6.051552  153.6808       6.051552  112.9434 2.679020  123.9232 2.441655  -10.97976      3.624752  
1 1 1 21 18 13 o 85.08279 2.516949  73.09989       2.992421  86.03687       5.984842  60.16291       5.984842  92.68537 3.228580  77.48021 3.862175  15.20516       5.033897  
1 1 1 21 18 14 o 123.5904 2.043585  153.0757       3.568987  160.1327       7.137973  146.0187       7.137973  126.4454 2.822551  120.7354 2.956039  5.709969       4.087170  
1 1 1 21 18 15 o 108.6843 2.633700  118.7724       4.035956  108.2132       8.071913  129.3317       8.071913  103.8266 3.887209  113.5421 3.554590  -9.715515      5.267400  
1 1 1 21 18 16 o 68.96604 4.079520  49.02234       3.859652  62.54541       7.719304  35.49926       7.719304  78.77020 4.899888  59.16188 6.523882  19.60831       8.159040  
1 1 1 21 18 17 o 26.37017 7.692302  2.630281       4.660172  3.535631       9.320344  1.724931       9.320344  27.02215 10.98271  25.71819 10.77340  1.303957       15.38460  
1 1 1 21 18 18 o 31.24820 7.684687  8.143389       4.550577  0.7719304      9.101154  15.51485       9.101154  24.63924 10.49689  37.85716 11.22644  -13.21792      15.36937  
1 1 1 21 18 19 o 42.24446 8.875589  19.81764       5.741827  16.44879       11.48365  23.18650       11.48365  39.04134 12.77562  45.44757 12.32428  -6.406231      17.75118  
1 1 1 21 18 20 o 46.03431 9.256380  24.72083       6.518523  32.05893       13.03705  17.38272       13.03705  52.56770 12.55483  39.50092 13.60509  13.06678       18.51276  
1 1 1 21 18 21 o 63.90990 8.003633  46.60172       7.033143  52.14819       14.06629  41.05525       14.06629  68.76854 10.22727  59.05125 12.31404  9.717289       16.00727  
1 1 1 21 19 0  o 149.2879 2.487972  223.0878       7.423873  223.0878       7.423873  223.0878       7.423873  149.2879 2.487972  149.2879 2.487972  0.000000       0.000000  
1 1 1 21 19 1  o 225.7792 1.566723  510.1602       4.998487  533.8804       9.996975  486.4399       9.996975  231.0322 2.163546  220.5263 2.266618  10.50594       3.133446  
1 1 1 21 19 2  o 244.2350 1.720866  596.8118       5.941957  614.3326       11.88391  579.2908       11.88391  247.8219 2.397672  240.6481 2.469147  7.173782       3.441732  
1 1 1 21 19 3  o 274.6621 1.680095  755.1910       6.518523  713.4637       13.03705  796.9180       13.03705  267.0660 2.440791  282.2582 2.309419  -15.19217      3.360190  
1 1 1 21 19 4  o 336.2953 1.982838  1133.370       9.406114  1226.836       18.81223  1039.905       18.81223  350.1916 2.685991  322.3989 2.917539  27.79272       3.965675  
1 1 1 21 19 5  o 349.2479 1.986419  1220.303       9.811138  1221.556       19.62228  1219.050       19.62228  349.4273 2.807777  349.0685 2.810663  0.3588257      3.972837  
1 1 1 21 19 6  o 302.6653 1.765653  916.4672       7.557293  925.7731       15.11459  907.1610       15.11459  304.2027 2.484295  301.1280 2.509661  3.074677       3.531306  
1 1 1 21 19 7  o 213.3531 1.505025  455.3484       4.541047  453.9331       9.082094  456.7635       9.082094  213.0214 2.131733  213.6847 2.125115  -0.6632996     3.010050  
1 1 1 21 19 8  o 227.4167 1.543728  517.6937       4.960367  543.1435       9.920734  492.2438       9.920734  233.0122 2.128802  221.8213 2.236199  11.19084       3.087456  
1 1 1 21 19 9  o 286.6318 1.800415  822.5776       7.290452  779.0397       14.58090  866.1154       14.58090  279.0370 2.612719  294.2265 2.477837  -15.18945      3.600830  
1 1 1 21 19 10 f 251.5263 1.679891  633.0162       5.975312  626.1975       11.95062  639.8349       11.95062  250.1708 2.388493  252.8818 2.362888  -2.710938      3.359782  
1 1 1 21 19 11 o 254.0390 1.741487  645.7341       6.256447  650.2036       12.51289  641.2643       12.51289  254.9187 2.454291  253.1593 2.471348  1.759384       3.482974  
1 1 1 21 19 12 o 146.3103 1.672717  214.8778       3.445096  238.6599       6.890193  191.0956       6.890193  154.4376 2.230737  138.1830 2.493140  16.25458       3.345435  
1 1 1 21 19 13 o 96.55489 2.461689  93.44646       3.359326  97.24417       6.718653  89.64875       6.718653  98.52149 3.409740  94.58828 3.551525  3.933212       4.923378  
1 1 1 21 19 14 o 34.46851 5.319446  10.81179       3.368856  -4.326622      6.737713  25.95020       6.737713  18.23102 8.309309  50.70601 6.643899  -32.47499      10.63889  
1 1 1 21 19 15 o 252.9678 1.915341  641.3216       6.852073  638.0718       13.70415  644.5714       13.70415  252.3254 2.715570  253.6101 2.701814  -1.284668      3.830681  
1 1 1 21 19 16 o 83.16372 3.564083  69.96929       4.174142  77.29786       8.348284  62.64071       8.348284  87.56983 4.766644  78.75761 5.299985  8.812225       7.128165  
1 1 1 21 19 17 o 44.90458 7.366891  21.84753       4.598227  20.01301       9.196454  23.68206       9.196454  42.93607 10.72870  46.87309 10.09848  -3.937023      14.73378  
1 1 1 21 19 18 o 36.41520 8.429124  13.88045       5.022312  15.61015       10.04462  12.15075       10.04462  38.09402 11.89694  34.73638 11.94417  3.357647       16.85825  
1 1 1 21 19 19 o 57.79691 7.028244  35.96623       5.603642  39.07301       11.20728  32.85945       11.20728  60.92754 9.197225  54.66629 10.62995  6.261246       14.05649  
1 1 1 21 19 20 o 37.55931 9.616729  13.77085       6.937842  5.222442       13.87568  22.31927       13.87568  31.44262 13.15670  43.67601 14.02951  -12.23339      19.23346  
1 1 1 21 19 21 o 49.29290 14.16275  30.50554       14.70480  30.50554       14.70480  ?              ?         49.29290 14.16275  ?        ?         ?              ?         
1 1 1 21 20 0  o 389.1440 4.518485  1515.747       35.15619  1515.747       35.15619  1515.747       35.15619  389.1440 4.518485  389.1440 4.518485  0.000000       0.000000  
1 1 1 21 20 1  o 399.9886 2.269194  1601.107       12.83215  1647.156       25.66430  1555.058       25.66430  405.7450 3.162615  394.2324 3.254971  11.51260       4.538388  
1 1 1 21 20 2  o 143.9325 1.292903  208.0304       2.615986  234.2189       5.231973  181.8420       5.231973  153.0300 1.709460  134.8350 1.940139  18.19496       2.585806  
1 1 1 21 20 3  f 333.2052 1.973370  1111.322       9.291754  1060.766       18.58351  1161.879       18.58351  325.6188 2.853568  340.7917 2.726521  -15.17285      3.946741  
1 1 1 21 20 4  o 544.9197 3.015750  2972.646       23.23891  2934.508       46.47783  3010.785       46.47783  541.4202 4.292215  548.4191 4.237437  -6.998962      6.031499  
1 1 1 21 20 5  o 122.4474 1.397040  151.0982       2.392031  125.0908       4.784062  177.1056       4.784062  111.8276 2.139035  133.0672 1.797611  -21.23964      2.794080  
1 1 1 21 20 6  o 400.9782 2.258879  1609.527       12.80356  1665.597       25.60712  1553.457       25.60712  407.9698 3.138360  393.9866 3.249745  13.98325       4.517759  
1 1 1 21 20 7  o 140.3466 1.325243  197.0281       2.630281  198.5767       5.260562  195.4794       5.260562  140.8983 1.866794  139.7948 1.881529  1.103424       2.650486  
1 1 1 21 20 8  o 144.3758 1.419466  208.7928       2.892356  224.1362       5.784712  193.4496       5.784712  149.6895 1.932237  139.0622 2.079902  10.62733       2.838932  
1 1 1 21 20 9  o 77.73598 1.918764  60.71089       2.096601  68.40636       4.193202  53.01541       4.193202  82.68574 2.535626  72.78623 2.880491  9.899506       3.837529  
1 1 1 21 20 10 f 220.1801 1.598205  485.1582       4.974662  500.4491       9.949325  469.8673       9.949325  223.6525 2.224282  216.7078 2.295563  6.944717       3.196410  
1 1 1 21 20 11 o 167.4068 1.603636  281.2924       3.778647  249.8004       7.557293  312.7843       7.557293  158.0009 2.391534  176.8126 2.137092  -18.81161      3.207273  
1 1 1 21 20 12 o 55.54662 3.257447  30.93916       2.558806  31.21076       5.117612  30.66755       5.117612  55.79110 4.586405  55.30213 4.626957  0.4889717      6.514894  
1 1 1 21 20 13 o 142.0216 1.819034  202.5840       3.635697  225.6038       7.271393  179.5643       7.271393  150.1259 2.421766  133.9173 2.714883  16.20860       3.638068  
1 1 1 21 20 14 o 23.18177 5.842658  -2.425386      3.373621  11.34070       6.747242  -16.19147      6.747242  33.02487 9.627851  13.33868 6.622014  19.68620       11.68532  
1 1 1 21 20 15 f 89.83286 3.122575  81.20516       3.964482  77.87919       7.928963  84.53114       7.928963  87.98166 4.506032  91.68406 4.324069  -3.702400      6.245150  
1 1 1 21 20 16 o 95.08202 3.132791  91.52139       4.178907  78.30804       8.357814  104.7347       8.357814  88.13361 4.741558  102.0304 4.095746  -13.89680      6.265581  
1 1 1 21 20 17 o 168.1331 2.471661  285.0853       5.851423  315.5765       11.70285  254.5941       11.70285  177.2007 3.302144  159.0655 3.678624  18.13518       4.943322  
1 1 1 21 20 18 o 34.49310 8.467031  10.84515       5.379687  18.10701       10.75937  3.583282       10.75937  40.64327 12.23782  28.34293 11.70462  12.30034       16.93406  
1 1 1 21 20 19 o 84.39960 5.395120  75.02019       6.280273  93.40356       12.56055  56.63681       12.56055  95.29028 6.590674  73.50893 8.543551  21.78136       10.79024  
1 1 1 21 20 20 o 79.21046 5.923836  66.88632       6.537583  54.37820       13.07517  79.39445       13.07517  71.31496 9.167196  87.10596 7.505321  -15.79100      11.84767  
1 1 1 21 20 21 o 51.79198 9.574739  33.11200       7.137973  28.89497       14.27595  37.32903       14.27595  48.11798 13.99698  55.46599 13.06855  -7.348011      19.14948  
1 1 1 21 21 0  o 379.6305 6.649420  1443.424       50.45184  1443.424       50.45184  1443.424       50.45184  379.6305 6.649420  379.6305 6.649420  0.000000       0.000000  
1 1 1 21 21 1  o 206.9854 2.855817  428.7740       11.81721  428.7740       11.81721  428.7740       11.81721  206.9854 2.855817  206.9854 2.855817  0.000000       0.000000  
1 1 1 21 21 2  o 360.3336 4.068824  1299.521       29.31429  1299.521       29.31429  1299.521       29.31429  360.3336 4.068824  360.3336 4.068824  0.000000       0.000000  
1 1 1 21 21 3  o 154.9758 2.682913  240.4420       8.310163  240.4420       8.310163  240.4420       8.310163  154.9758 2.682913  154.9758 2.682913  0.000000       0.000000  
1 1 1 21 21 4  o 82.05094 3.204676  67.65350       5.241503  67.65350       5.241503  67.65350       5.241503  82.05094 3.204676  82.05094 3.204676  0.000000       0.000000  
1 1 1 21 21 5  o 89.92831 3.407094  81.25282       6.108732  81.25282       6.108732  81.25282       6.108732  89.92831 3.407094  89.92831 3.407094  0.000000       0.000000  
1 1 1 21 21 6  o 209.8481 2.825888  440.7341       11.85532  440.7341       11.85532  440.7341       11.85532  209.8481 2.825888  209.8481 2.825888  0.000000       0.000000  
1 1 1 21 21 7  o 113.3470 3.247096  128.8456       7.347633  128.8456       7.347633  128.8456       7.347633  113.3470 3.247096  113.3470 3.247096  0.000000       0.000000  
1 1 1 21 21 8  o 65.85548 4.536863  44.01909       5.918132  44.01909       5.918132  44.01909       5.918132  65.85548 4.536863  65.85548 4.536863  0.000000       0.000000  
1 1 1 21 21 9  o 63.46519 5.071192  41.09338       6.356512  41.09338       6.356512  41.09338       6.356512  63.46519 5.071192  63.46519 5.071192  0.000000       0.000000  
1 1 1 21 21 10 o 261.6511 3.525317  685.3788       18.44056  685.3788       18.44056  685.3788       18.44056  261.6511 3.525317  261.6511 3.525317  0.000000       0.000000  
1 1 1 21 21 11 o 144.3241 3.331957  208.7738       9.606244  208.7738       9.606244  208.7738       9.606244  144.3241 3.331957  144.3241 3.331957  0.000000       0.000000  
1 1 1 21 21 12 o 198.4330 3.351973  394.4278       13.29436  394.4278       13.29436  394.4278       13.29436  198.4330 3.351973  198.4330 3.351973  0.000000       0.000000  
1 1 1 21 21 13 o 98.50651 5.019689  98.02562       9.834964  98.02562       9.834964  98.02562       9.834964  98.50651 5.019689  98.50651 5.019689  0.000000       0.000000  
1 1 1 21 21 14 o 45.39996 13.78471  25.93114       10.90232  25.93114       10.90232  25.93114       10.90232  45.39996 13.78471  45.39996 13.78471  0.000000       0.000000  
1 1 1 21 21 15 f 137.9688 4.632475  191.6388       12.75115  191.6388       12.75115  191.6388       12.75115  137.9688 4.632475  137.9688 4.632475  0.000000       0.000000  
1 1 1 21 21 16 o 14.83206 10.50259  -11.94110      11.84580  -11.94110      11.84580  -11.94110      11.84580  14.83206 10.50259  14.83206 10.50259  0.000000       0.000000  
1 1 1 21 21 17 o 14.07878 10.25842  -26.03597      14.78104  -26.03597      14.78104  -26.03597      14.78104  14.07878 10.25842  14.07878 10.25842  0.000000       0.000000  
1 1 1 21 21 18 o 112.5400 7.047370  129.7701       15.73404  129.7701       15.73404  129.7701       15.73404  112.5400 7.047370  112.5400 7.047370  0.000000       0.000000  
1 1 1 21 21 19 o 38.76144 19.47198  25.00673       18.37385  25.00673       18.37385  25.00673       18.37385  38.76144 19.47198  38.76144 19.47198  0.000000       0.000000  
1 1 1 21 21 20 o 31.65349 18.86117  15.91511       20.55622  15.91511       20.55622  15.91511       20.55622  31.65349 18.86117  31.65349 18.86117  0.000000       0.000000  
1 1 1 22 0  0  o 527.4084 8.034255  2784.248       84.70267  2784.248       84.70267  2784.248       84.70267  527.4084 8.034255  527.4084 8.034255  0.000000       0.000000  
1 1 1 22 0  1  o 227.4677 2.780737  517.6793       12.64631  517.6793       12.64631  517.6793       12.64631  227.4677 2.780737  227.4677 2.780737  0.000000       0.000000  
1 1 1 22 0  2  o 544.4250 5.882249  2965.861       64.03210  2965.861       64.03210  2965.861       64.03210  544.4250 5.882249  544.4250 5.882249  0.000000       0.000000  
1 1 1 22 0  3  o 575.9039 6.170650  3318.929       71.05570  3318.929       71.05570  3318.929       71.05570  575.9039 6.170650  575.9039 6.170650  0.000000       0.000000  
1 1 1 22 0  4  o 1370.799 16.36016  18852.73       448.3867  18852.73       448.3867  18852.73       448.3867  1370.799 16.36016  1370.799 16.36016  0.000000       0.000000  
1 1 1 22 0  5  o 369.6208 4.620677  1367.184       34.14600  1367.184       34.14600  1367.184       34.14600  369.6208 4.620677  369.6208 4.620677  0.000000       0.000000  
1 1 1 22 0  6  o 144.6707 3.684347  209.7458       10.64501  209.7458       10.64501  209.7458       10.64501  144.6707 3.684347  144.6707 3.684347  0.000000       0.000000  
1 1 1 22 0  7  o 364.2247 4.795323  1327.835       34.91793  1327.835       34.91793  1327.835       34.91793  364.2247 4.795323  364.2247 4.795323  0.000000       0.000000  
1 1 1 22 0  8  o 263.6840 3.300902  695.7952       17.40179  695.7952       17.40179  695.7952       17.40179  263.6840 3.300902  263.6840 3.300902  0.000000       0.000000  
1 1 1 22 0  9  o 208.9230 2.660317  436.7792       11.11199  436.7792       11.11199  436.7792       11.11199  208.9230 2.660317  208.9230 2.660317  0.000000       0.000000  
1 1 1 22 0  10 o 228.6805 2.870260  523.3211       13.12282  523.3211       13.12282  523.3211       13.12282  228.6805 2.870260  228.6805 2.870260  0.000000       0.000000  
1 1 1 22 0  11 o 317.5633 3.807968  1009.437       24.17762  1009.437       24.17762  1009.437       24.17762  317.5633 3.807968  317.5633 3.807968  0.000000       0.000000  
1 1 1 22 0  12 o 433.6871 4.893993  1883.367       42.43710  1883.367       42.43710  1883.367       42.43710  433.6871 4.893993  433.6871 4.893993  0.000000       0.000000  
1 1 1 22 0  13 o 11.28041 7.763375  -3.249731      5.441632  -3.249731      5.441632  -3.249731      5.441632  11.28041 7.763375  11.28041 7.763375  0.000000       0.000000  
1 1 1 22 0  14 o 88.69620 3.568974  79.09904       6.308862  79.09904       6.308862  79.09904       6.308862  88.69620 3.568974  88.69620 3.568974  0.000000       0.000000  
1 1 1 22 0  15 o 206.3082 3.348659  426.2675       13.80897  426.2675       13.80897  426.2675       13.80897  206.3082 3.348659  206.3082 3.348659  0.000000       0.000000  
1 1 1 22 0  16 o 80.85361 4.742784  66.17635       7.614474  66.17635       7.614474  66.17635       7.614474  80.85361 4.742784  80.85361 4.742784  0.000000       0.000000  
1 1 1 22 0  17 o 27.48837 14.35991  11.37883       10.22569  11.37883       10.22569  11.37883       10.22569  27.48837 14.35991  27.48837 14.35991  0.000000       0.000000  
1 1 1 22 0  18 f 93.46327 6.885854  89.46767       12.73209  89.46767       12.73209  89.46767       12.73209  93.46327 6.885854  93.46327 6.885854  0.000000       0.000000  
1 1 1 22 0  19 f 107.9944 6.328323  118.7248       13.57072  118.7248       13.57072  118.7248       13.57072  107.9944 6.328323  107.9944 6.328323  0.000000       0.000000  
1 1 1 22 0  20 o 62.01828 13.07023  44.43840       14.26642  44.43840       14.26642  44.43840       14.26642  62.01828 13.07023  62.01828 13.07023  0.000000       0.000000  
1 1 1 22 0  21 o 61.44859 14.95974  45.90603       15.91511  45.90603       15.91511  45.90603       15.91511  61.44859 14.95974  61.44859 14.95974  0.000000       0.000000  
1 1 1 22 0  22 o 59.09539 20.12906  49.97534       21.29003  49.97534       21.29003  49.97534       21.29003  59.09539 20.12906  59.09539 20.12906  0.000000       0.000000  
1 1 1 22 1  0  f 94.66193 1.778298  89.70592       3.364091  89.70592       3.364091  89.70592       3.364091  94.66193 1.778298  94.66193 1.778298  0.000000       0.000000  
1 1 1 22 1  1  o 298.3062 1.706637  890.7217       7.190388  943.1845       14.38078  838.2592       14.38078  307.0996 2.341386  289.5128 2.483617  17.58685       3.413274  
1 1 1 22 1  2  o 299.7130 1.774316  899.6229       7.504878  966.6855       15.00976  832.5602       15.00976  310.9008 2.413914  288.5252 2.601117  22.37561       3.548632  
1 1 1 22 1  3  o 305.6752 1.803965  935.4700       7.786013  996.2095       15.57203  874.7305       15.57203  315.6105 2.466969  295.7399 2.632723  19.87057       3.607931  
1 1 1 22 1  4  o 661.5896 4.133066  4381.105       38.65846  4505.481       77.31693  4256.729       77.31693  670.9894 5.761412  652.1898 5.927486  18.79956       8.266132  
1 1 1 22 1  5  o 298.0688 2.168053  888.9445       9.134509  856.5757       18.26902  921.3131       18.26902  292.6390 3.121425  303.4985 3.009738  -10.85944      4.336106  
1 1 1 22 1  6  o 341.4049 2.235582  1166.349       10.78796  1121.996       21.57593  1210.701       21.57593  334.9093 3.221160  347.9005 3.100876  -12.99118      4.471164  
1 1 1 22 1  7  o 175.4640 1.502394  308.0288       3.726231  296.7929       7.452463  319.2646       7.452463  172.2622 2.163116  178.6657 2.085588  -6.403519      3.004787  
1 1 1 22 1  8  o 253.7244 1.695847  643.9424       6.084907  638.9487       12.16981  648.9360       12.16981  252.7403 2.407573  254.7085 2.388970  -1.968140      3.391693  
1 1 1 22 1  9  f 226.4222 1.388755  512.8619       4.445747  526.4851       8.891494  499.2388       8.891494  229.4306 1.937731  223.4139 1.989915  6.016693       2.777510  
1 1 1 22 1  10 o 168.7071 1.194620  284.7184       2.849471  292.2471       5.698943  277.1897       5.698943  170.9384 1.666958  166.4758 1.711643  4.462585       2.389240  
1 1 1 22 1  11 o 408.6602 2.297865  1671.334       13.28006  1676.756       26.56012  1665.911       26.56012  409.3237 3.244391  407.9967 3.254943  1.326965       4.595730  
1 1 1 22 1  12 o 128.0785 1.368463  164.3401       2.473036  151.5271       4.946072  177.1533       4.946072  123.0764 2.009350  133.0805 1.858300  -10.00409      2.736927  
1 1 1 22 1  13 o 309.3924 1.862034  958.1371       8.143388  992.2639       16.28678  924.0101       16.28678  314.9075 2.585962  303.8772 2.679829  11.03033       3.724068  
1 1 1 22 1  14 o 200.8017 1.556630  403.6004       4.417156  421.6074       8.834313  385.5935       8.834313  205.2854 2.151715  196.3179 2.250002  8.967545       3.113260  
1 1 1 22 1  15 o 185.9026 1.668294  345.9582       4.383801  358.7189       8.767603  333.1975       8.767603  189.3347 2.315372  182.4705 2.402472  6.864182       3.336588  
1 1 1 22 1  16 o 137.4133 2.024353  189.1944       3.931127  197.4712       7.862253  180.9176       7.862253  140.4249 2.799451  134.4016 2.924910  6.023300       4.048707  
1 1 1 22 1  17 o 209.6379 2.017155  440.8437       5.970548  469.8578       11.94110  411.8296       11.94110  216.5580 2.757021  202.7178 2.945250  13.84010       4.034310  
1 1 1 22 1  18 o 122.5739 2.564671  150.9267       4.445747  150.9648       8.891494  150.8885       8.891494  122.5895 3.626533  122.5584 3.627452  0.3108978E-01  5.129342  
1 1 1 22 1  19 o 61.86125 4.827269  39.00154       4.217027  41.37928       8.434053  36.62380       8.434053  63.78308 6.611514  59.93942 7.035481  3.843658       9.654538  
1 1 1 22 1  20 o 112.3656 3.718261  128.0499       5.903837  133.9347       11.80767  122.1651       11.80767  114.9842 5.134478  109.7470 5.379498  5.237175       7.436522  
1 1 1 22 1  21 o 68.62794 5.691740  49.09858       5.522637  47.85015       11.04527  50.34701       11.04527  67.71838 8.155301  69.53751 7.941956  -1.819130      11.38348  
1 1 1 22 1  22 o 50.95686 9.271552  30.75332       6.728183  29.60019       13.45637  31.90645       13.45637  49.91951 13.25326  51.99422 12.96911  -2.074715      18.54310  
1 1 1 22 1  23 o 51.09041 15.80438  34.56533       17.78299  34.56533       17.78299  ?              ?         51.09041 15.80438  ?        ?         ?              ?         
1 1 1 22 2  0  o 57.57668 2.058176  33.27877       2.363441  33.27877       2.363441  33.27877       2.363441  57.57668 2.058176  57.57668 2.058176  0.000000       0.000000  
1 1 1 22 2  1  o 156.1399 1.146729  246.7032       2.487331  193.5544       4.974662  299.8521       4.974662  139.1203 1.787900  173.1595 1.436439  -34.03925      2.293457  
1 1 1 22 2  2  o 278.7241 1.614074  777.0193       6.361277  792.9440       12.72255  761.0947       12.72255  281.5807 2.259131  275.8673 2.305919  5.713409       3.228148  
1 1 1 22 2  3  o 483.5912 2.591901  2342.556       17.68769  2520.267       35.37537  2164.845       35.37537  501.9653 3.523688  465.2171 3.802028  36.74814       5.183801  
1 1 1 22 2  4  o 289.3005 2.025283  839.0072       8.257749  759.0172       16.51550  918.9974       16.51550  275.4757 2.997632  303.1252 2.724204  -27.64948      4.050566  
1 1 1 22 2  5  o 412.1935 2.694436  1700.405       15.69592  1772.990       31.39183  1627.820       31.39183  420.9982 3.728262  403.3887 3.891015  17.60950       5.388872  
1 1 1 22 2  6  o 321.2559 2.098826  1032.385       9.534769  1017.814       19.06954  1046.957       19.06954  318.9880 2.989068  323.5238 2.947162  -4.535767      4.197653  
1 1 1 22 2  7  o 280.9480 1.906535  790.7617       7.557293  728.3210       15.11459  853.2021       15.11459  269.8355 2.800704  292.0605 2.587578  -22.22498      3.813070  
1 1 1 22 2  8  o 288.8633 1.732515  835.5240       7.066498  889.4448       14.13300  781.6033       14.13300  298.1965 2.369745  279.5300 2.527993  18.66653       3.465031  
1 1 1 22 2  9  o 48.54431 1.713965  23.69635       1.167425  20.27985       2.334851  27.11286       2.334851  45.02535 2.592818  52.06327 2.242321  -7.037914      3.427931  
1 1 1 22 2  10 o 228.5479 1.440347  523.5403       4.641112  476.2143       9.282224  570.8663       9.282224  218.1943 2.127055  238.9015 1.942688  -20.70724      2.880694  
1 1 1 22 2  11 o 185.5641 1.351336  344.5049       3.545162  354.4685       7.090323  334.5413       7.090323  188.2487 1.883232  182.8794 1.938524  5.369354       2.702673  
1 1 1 22 2  12 o 214.4713 1.486523  460.2134       4.507692  448.7297       9.015384  471.6971       9.015384  211.7940 2.128337  217.1485 2.075857  -5.354416      2.973046  
1 1 1 22 2  13 o 249.6956 1.628963  623.8436       5.751357  611.2068       11.50271  636.4804       11.50271  247.1652 2.326928  252.2261 2.280239  -5.060867      3.257927  
1 1 1 22 2  14 o 228.7976 1.752486  523.8023       5.670352  528.0861       11.34070  519.5186       11.34070  229.7338 2.468228  227.8615 2.488508  1.872284       3.504971  
1 1 1 22 2  15 o 243.7563 1.767010  594.7485       6.089673  610.6064       12.17935  578.8906       12.17935  247.0091 2.465364  240.5034 2.532052  6.505661       3.534021  
1 1 1 22 2  16 o 46.25247 5.496332  24.32533       3.302146  8.024263       6.604293  40.62641       6.604293  28.92266 9.688457  63.58229 5.193501  -34.65963      10.99266  
1 1 1 22 2  17 f 106.9523 2.542118  114.9414       3.835827  124.0902       7.671653  105.7926       7.671653  111.2294 3.448573  102.6753 3.735881  8.554108       5.084237  
1 1 1 22 2  18 o 243.2823 2.043052  593.6239       7.028378  603.9830       14.05676  583.2648       14.05676  245.4114 2.863917  241.1533 2.914486  4.258072       4.086104  
1 1 1 22 2  19 o 31.47003 7.244661  5.413043       4.765002  20.03207       9.530005  -9.205984      9.530005  42.92981 11.03941  20.01025 9.384664  22.91956       14.48932  
1 1 1 22 2  20 o 117.4608 3.012378  139.2238       5.003252  141.9780       10.00650  136.4697       10.00650  118.6332 4.217414  116.2884 4.302452  2.344765       6.024755  
1 1 1 22 2  21 o 67.84896 6.967595  48.96516       6.685298  48.45053       13.37060  49.47978       13.37060  67.46972 9.908590  68.22820 9.798437  -0.7584839     13.93519  
1 1 1 22 2  22 o 66.43265 7.793859  49.16529       7.171328  47.34506       14.34266  50.98552       14.34266  64.57892 11.51904  68.28638 10.50184  -3.707466      15.58772  
1 1 1 22 2  23 o 46.56849 15.82977  28.43753       17.63051  28.43753       17.63051  ?              ?         46.56849 15.82977  ?        ?         ?              ?         
1 1 1 22 3  0  o 405.0170 4.362400  1641.210       35.32772  1641.210       35.32772  1641.210       35.32772  405.0170 4.362400  405.0170 4.362400  0.000000       0.000000  
1 1 1 22 3  1  o 448.3254 2.465885  2010.798       15.62921  2070.613       31.25841  1950.982       31.25841  454.9963 3.435018  441.6545 3.538786  13.34186       4.931770  
1 1 1 22 3  2  o 486.4588 2.731049  2367.019       18.78840  2371.961       37.57681  2362.078       37.57681  486.9667 3.858252  485.9509 3.866317  1.015778       5.462098  
1 1 1 22 3  3  o 375.6608 2.079631  1411.703       11.04527  1450.124       22.09055  1373.283       22.09055  380.7745 2.900739  370.5471 2.980802  10.22742       4.159263  
1 1 1 22 3  4  f 221.3436 1.580710  498.0523       4.826947  372.2896       9.653894  623.8150       9.653894  192.9347 2.501855  249.7525 1.932692  -56.81786      3.161420  
1 1 1 22 3  5  o 178.3692 1.249326  318.6214       3.144901  294.9250       6.289802  342.3177       6.289802  171.7267 1.831341  185.0117 1.699839  -13.28500      2.498652  
1 1 1 22 3  6  o 317.2602 2.290130  1007.617       10.26381  1062.367       20.52763  952.8669       20.52763  325.8887 3.149484  308.6316 3.325587  17.25711       4.580260  
1 1 1 22 3  7  o 164.3949 1.268702  272.3389       2.916181  319.4171       5.832363  225.2607       5.832363  178.7136 1.631763  150.0763 1.943133  28.63727       2.537403  
1 1 1 22 3  8  o 572.4342 3.161087  3280.079       25.58806  3331.156       51.17612  3229.003       51.17612  576.8955 4.435476  567.9729 4.505156  8.922607       6.322173  
1 1 1 22 3  9  o 401.7370 2.350709  1615.164       13.35154  1570.535       26.70307  1659.793       26.70307  396.1825 3.370047  407.2914 3.278128  -11.10895      4.701419  
1 1 1 22 3  10 o 245.1556 1.527069  601.2146       5.293917  591.9847       10.58783  610.4444       10.58783  243.2732 2.176120  247.0380 2.142956  -3.764862      3.054138  
1 1 1 22 3  11 o 197.7907 1.462140  391.4306       4.088372  379.1893       8.176744  403.6719       8.176744  194.6962 2.099873  200.8852 2.035178  -6.189011      2.924280  
1 1 1 22 3  12 o 113.9587 1.457936  130.1036       2.344381  120.0685       4.688762  140.1387       4.688762  109.5558 2.139898  118.3617 1.980693  -8.805908      2.915871  
1 1 1 22 3  13 o 267.6889 1.733400  717.0233       6.561408  729.2168       13.12282  704.8296       13.12282  269.9665 2.430453  265.4113 2.472166  4.555145       3.466800  
1 1 1 22 3  14 o 141.7528 1.571757  201.4929       3.140136  220.6672       6.280273  182.3185       6.280273  148.5161 2.114340  134.9895 2.326208  13.52663       3.143514  
1 1 1 22 3  15 o 87.42221 2.209069  76.89285       2.711286  66.23353       5.422573  87.55215       5.422573  81.32575 3.333860  93.51866 2.899193  -12.19291      4.418138  
1 1 1 22 3  16 o 177.5062 1.780348  316.3342       4.450512  283.0030       8.901024  349.6654       8.901024  168.1174 2.647264  186.8949 2.381291  -18.77748      3.560695  
1 1 1 22 3  17 o 29.69891 6.767582  8.700893       3.283086  10.89279       6.566173  6.508993       6.566173  32.34595 9.519607  27.05186 9.621735  5.294092       13.53516  
1 1 1 22 3  18 o 109.4892 3.160842  120.8023       4.888892  114.3029       9.777783  127.3018       9.777783  106.5211 4.589598  112.4573 4.347331  -5.936180      6.321684  
1 1 1 22 3  19 o 67.68876 4.604261  46.62555       4.402863  49.05093       8.805723  44.20016       8.805723  69.48033 6.336847  65.89719 6.681411  3.583145       9.208523  
1 1 1 22 3  20 o 41.26413 7.249411  17.66863       4.922247  30.85815       9.844495  4.479102       9.844495  54.45351 9.039357  28.07476 11.33604  26.37875       14.49882  
1 1 1 22 3  21 o 87.67961 5.699608  80.19976       7.061733  76.64982       14.12347  83.74967       14.12347  85.65523 8.244369  89.70399 7.872262  -4.048759      11.39922  
1 1 1 22 3  22 o 53.55489 9.840677  34.66062       7.552527  31.22982       15.10505  38.09143       15.10505  50.64182 14.29178  56.46796 13.53147  -5.826138      19.68135  
1 1 1 22 3  23 o 78.08601 8.035865  71.01283       8.348284  89.42002       16.69657  52.60562       16.69657  90.36552 9.238351  65.80650 13.15117  24.55901       16.07173  
1 1 1 22 4  0  o 208.3745 2.905437  434.4824       12.10310  434.4824       12.10310  434.4824       12.10310  208.3745 2.905437  208.3745 2.905437  0.000000       0.000000  
1 1 1 22 4  1  o 775.4215 4.097962  6016.115       44.93873  6017.130       89.87746  6015.100       89.87746  775.4869 5.794905  775.3561 5.795883  0.1308594      8.195925  
1 1 1 22 4  2  o 578.1184 3.097340  3343.511       25.32122  3293.779       50.64244  3393.244       50.64244  573.8172 4.412768  582.4196 4.347590  -8.602417      6.194680  
1 1 1 22 4  3  o 400.2352 2.120815  1602.270       12.00304  1627.944       24.00608  1576.596       24.00608  403.4425 2.975155  397.0278 3.023224  6.414703       4.241631  
1 1 1 22 4  4  o 512.4033 3.198715  2627.689       23.16744  2725.143       46.33488  2530.235       46.33488  521.9127 4.438949  502.8938 4.606826  19.01892       6.397430  
1 1 1 22 4  5  o 209.0796 1.382825  437.8941       4.078841  473.1075       8.157682  402.6808       8.157682  217.5006 1.875324  200.6585 2.032727  16.84210       2.765650  
1 1 1 22 4  6  o 129.9734 1.194800  169.4101       2.187136  151.7081       4.374272  187.1121       4.374272  123.1636 1.775798  136.7832 1.598979  -13.61968      2.389601  
1 1 1 22 4  7  f 384.0057 2.269601  1475.440       12.32230  1513.860       24.64459  1437.020       24.64459  389.0083 3.167618  379.0031 3.251238  10.00513       4.539202  
1 1 1 22 4  8  o 177.6537 1.483320  315.7004       3.726231  309.9253       7.452463  321.4756       7.452463  176.0283 2.116836  179.2791 2.078452  -3.250793      2.966641  
1 1 1 22 4  9  o 514.8194 2.927029  2654.111       21.29479  2772.221       42.58959  2536.001       42.58959  526.2904 4.046206  503.3484 4.230628  22.94205       5.854057  
1 1 1 22 4  10 o 83.63601 1.435771  71.20818       1.653456  52.56750       3.306911  89.84887       3.306911  72.49207 2.280878  94.77995 1.744521  -22.28787      2.871543  
1 1 1 22 4  11 o 317.9620 1.874718  1013.864       8.400699  916.5100       16.80140  1111.218       16.80140  302.6530 2.775687  333.2710 2.520681  -30.61804      3.749436  
1 1 1 22 4  12 o 316.2792 1.881354  1000.893       8.414993  1004.815       16.82999  996.9718       16.82999  316.8992 2.655416  315.6593 2.665847  1.239899       3.762709  
1 1 1 22 4  13 o 173.3762 1.526289  301.0766       3.735762  321.6376       7.471523  280.5157       7.471523  179.3058 2.083458  167.4466 2.231016  11.85918       3.052578  
1 1 1 22 4  14 o 153.4919 1.614954  236.7253       3.483216  267.4977       6.966432  205.9529       6.966432  163.5160 2.130198  143.4678 2.427873  20.04820       3.229909  
1 1 1 22 4  15 o 86.14783 2.621606  74.59134       3.178256  83.09210       6.356512  66.09058       6.356512  91.08166 3.489458  81.21400 3.913434  9.867653       5.243213  
1 1 1 22 4  16 o 320.2173 2.233232  1027.473       10.11133  1050.921       20.22267  1004.024       20.22267  323.8787 3.121951  316.5560 3.194169  7.322662       4.466463  
1 1 1 22 4  17 o 47.51312 5.988099  24.65412       3.778647  36.55709       7.557293  12.75115       7.557293  60.14653 6.282402  34.87971 10.19611  25.26682       11.97620  
1 1 1 22 4  18 o 63.77782 4.758390  41.66041       4.236087  34.06976       8.472174  49.25106       8.472174  57.82697 7.325452  69.72868 6.075100  -11.90171      9.516780  
1 1 1 22 4  19 o 114.6616 2.919302  132.4289       4.731647  127.8259       9.463295  137.0319       9.463295  112.6544 4.200144  116.6688 4.055623  -4.014397      5.838603  
1 1 1 22 4  20 o 60.57717 7.003626  39.08731       5.837128  43.24715       11.67426  34.92746       11.67426  64.44939 9.056915  56.70495 10.68529  7.744446       14.00725  
1 1 1 22 4  21 o 75.31746 5.912498  59.51011       6.265977  66.09058       12.53195  52.92965       12.53195  79.68594 7.863342  70.94897 8.831669  8.736977       11.82500  
1 1 1 22 4  22 o 84.51247 5.897086  76.66888       6.890193  59.13367       13.78039  94.20409       13.78039  74.13814 9.293723  94.88680 7.261487  -20.74866      11.79417  
1 1 1 22 4  23 o 81.79651 6.147351  72.70439       7.109383  74.41027       14.21877  70.99853       14.21877  82.83926 8.582142  80.75376 8.803780  2.085503       12.29470  
1 1 1 22 5  0  o 541.5098 6.108580  2934.364       66.13823  2934.364       66.13823  2934.364       66.13823  541.5098 6.108580  541.5098 6.108580  0.000000       0.000000  
1 1 1 22 5  1  o 175.9082 1.273447  309.7156       3.163961  291.7230       6.327922  327.7082       6.327922  170.7940 1.852502  181.0224 1.747829  -10.22842      2.546894  
1 1 1 22 5  2  o 578.8680 3.113189  3352.308       25.48323  3296.285       50.96646  3408.330       50.96646  574.0292 4.439362  583.7070 4.365757  -9.677795      6.226377  
1 1 1 22 5  3  o 824.9297 4.364316  6813.577       50.88070  6523.917       101.7614  7103.236       101.7614  807.3730 6.302006  842.4863 6.039350  -35.11322      8.728632  
1 1 1 22 5  4  o 389.0036 2.285895  1513.655       12.57484  1531.405       25.14968  1495.906       25.14968  391.2850 3.213729  386.7222 3.251647  4.562866       4.571790  
1 1 1 22 5  5  o 455.8758 2.679378  2081.391       17.24454  1940.957       34.48908  2221.825       34.48908  440.4731 3.915005  471.2784 3.659098  -30.80536      5.358756  
1 1 1 22 5  6  o 137.5377 1.201166  190.5572       2.311026  222.7924       4.622052  158.3220       4.622052  149.2564 1.548360  125.8190 1.836786  23.43739       2.402333  
1 1 1 22 5  7  o 438.9507 2.687176  1928.549       16.67274  1999.318       33.34548  1857.779       33.34548  447.0119 3.729820  430.8894 3.869379  16.12250       5.374352  
1 1 1 22 5  8  f 309.1729 1.851390  956.5027       8.090974  991.1109       16.18195  921.8944       16.18195  314.7697 2.570442  303.5759 2.665222  11.19382       3.702780  
1 1 1 22 5  9  o 438.2866 2.576363  1922.459       15.96752  1891.344       31.93504  1953.574       31.93504  434.7369 3.672916  441.8362 3.613900  -7.099365      5.152727  
1 1 1 22 5  10 o 286.9493 1.704557  825.8415       6.890193  909.9533       13.78039  741.7298       13.78039  301.6055 2.284505  272.2931 2.530433  29.31241       3.409114  
1 1 1 22 5  11 o 122.1907 1.364272  149.9022       2.344381  168.1188       4.688762  131.6856       4.688762  129.6448 1.808310  114.7365 2.043274  14.90834       2.728544  
1 1 1 22 5  12 o 83.38432 1.707212  69.83587       2.001301  61.09686       4.002602  78.57488       4.002602  78.14412 2.561038  88.62453 2.258179  -10.48042      3.414424  
1 1 1 22 5  13 o 112.9187 1.636195  127.6258       2.611221  122.4129       5.222442  132.8387       5.222442  110.6104 2.360737  115.2269 2.266155  -4.616524      3.272390  
1 1 1 22 5  14 o 204.1947 1.547927  417.7858       4.460042  449.9782       8.920084  385.5935       8.920084  212.0774 2.103025  196.3119 2.271916  15.76550       3.095855  
1 1 1 22 5  15 o 197.4749 1.752678  390.3490       4.893657  399.7932       9.787313  380.9047       9.787313  199.8662 2.448467  195.0837 2.508492  4.782501       3.505356  
1 1 1 22 5  16 o 108.3575 2.187369  117.9052       3.340266  129.2268       6.680532  106.5836       6.680532  113.5817 2.940850  103.1333 3.238787  10.44842       4.374739  
1 1 1 22 5  17 f 22.24931 6.345917  -1.639161      3.611871  7.357163       7.223743  -10.63548      7.223743  28.51956 10.09722  15.97906 7.689524  12.54050       12.69183  
1 1 1 22 5  18 o 115.0052 2.648495  132.9150       4.307562  133.0675       8.615124  132.7625       8.615124  115.0715 3.743378  114.9389 3.747696  0.1325912      5.296990  
1 1 1 22 5  19 o 27.12318 7.714038  4.097901       4.536282  4.660172       9.072563  3.535631       9.072563  27.56939 10.98015  26.67698 10.83798  0.8924122      15.42808  
1 1 1 22 5  20 o 103.6395 4.147127  110.2288       5.994372  89.55345       11.98874  130.9041       11.98874  93.66482 6.399813  113.6141 5.276081  -19.94929      8.294253  
1 1 1 22 5  21 o 69.22269 6.344443  50.55667       6.189737  45.98227       12.37947  55.13107       12.37947  65.91857 9.389975  72.52681 8.534412  -6.608238      12.68889  
1 1 1 22 5  22 o 71.31396 7.885588  57.65176       7.557293  71.06524       15.11459  44.23828       15.11459  81.21783 9.304969  61.41009 12.73372  19.80774       15.77118  
1 1 1 22 5  23 f 37.20060 14.05521  15.95323       14.30454  15.95323       14.30454  ?              ?         37.20060 14.05521  ?        ?         ?              ?         
1 1 1 22 6  0  o 873.4454 9.108937  7637.155       159.0844  7637.155       159.0844  7637.155       159.0844  873.4454 9.108937  873.4454 9.108937  0.000000       0.000000  
1 1 1 22 6  1  o 510.6617 2.788820  2609.205       20.13213  2695.657       40.26427  2522.754       40.26427  519.1264 3.878079  502.1971 4.008811  16.92929       5.577640  
1 1 1 22 6  2  o 238.0439 1.445405  566.7589       4.865067  554.7796       9.730133  578.7380       9.730133  235.5278 2.065602  240.5601 2.022392  -5.032333      2.890810  
1 1 1 22 6  3  o 653.7334 3.495393  4276.323       32.31148  4197.862       64.62296  4354.783       64.62296  647.7324 4.988399  659.7344 4.897650  -12.00195      6.990787  
1 1 1 22 6  4  o 353.7735 2.019117  1251.804       10.10180  1246.620       20.20361  1256.988       20.20361  353.0408 2.861370  354.5062 2.849542  -1.465393      4.038233  
1 1 1 22 6  5  f 608.0511 3.262164  3700.767       28.03727  3563.306       56.07455  3838.228       56.07455  596.7477 4.698346  619.3545 4.526854  -22.60681      6.524329  
1 1 1 22 6  6  o 324.1639 1.863983  1052.760       8.524589  968.4675       17.04918  1137.053       17.04918  311.1623 2.739595  337.1655 2.528310  -26.00317      3.727967  
1 1 1 22 6  7  o 532.3344 3.026111  2836.020       22.78148  2846.984       45.56295  2825.055       45.56295  533.3641 4.271280  531.3045 4.287838  2.059631       6.052222  
1 1 1 22 6  8  o 239.8022 1.544165  575.1833       5.236737  573.8110       10.47347  576.5557       10.47347  239.5161 2.186383  240.0883 2.181171  -0.5722809     3.088329  
1 1 1 22 6  9  o 583.5256 3.172938  3411.331       26.15510  3596.214       52.31020  3226.449       52.31020  599.3674 4.363784  567.6838 4.607336  31.68359       6.345877  
1 1 1 22 6  10 f 119.8249 1.218076  143.8697       2.058481  131.5998       4.116962  156.1396       4.116962  114.7050 1.794587  124.9448 1.647512  -10.23984      2.436152  
1 1 1 22 6  11 f 186.8001 1.388442  350.7899       3.640462  400.1649       7.280923  301.4150       7.280923  200.0161 1.820084  173.5842 2.097231  26.43196       2.776884  
1 1 1 22 6  12 o 139.5020 1.364286  195.3222       2.677931  217.9416       5.355862  172.7027       5.355862  147.6092 1.814204  131.3948 2.038081  16.21445       2.728572  
1 1 1 22 6  13 o 220.6305 1.570186  487.0737       4.898422  476.5860       9.796844  497.5615       9.796844  218.2538 2.244370  223.0073 2.196530  -4.753555      3.140373  
1 1 1 22 6  14 o 113.8576 1.767350  130.3371       2.825646  148.1630       5.651292  112.5112       5.651292  121.6858 2.322085  106.0295 2.664963  15.65627       3.534700  
1 1 1 22 6  15 o 307.5255 2.132341  947.0252       9.272695  963.0832       18.54539  930.9670       18.54539  310.1364 2.989876  304.9147 3.041078  5.221710       4.264683  
1 1 1 22 6  16 o 132.7632 1.932527  176.6005       3.626166  169.4149       7.252333  183.7861       7.252333  130.0571 2.788135  135.4694 2.676742  -5.412354      3.865054  
1 1 1 22 6  17 o 73.94723 3.498415  55.10725       3.654756  57.98055       7.309513  52.23394       7.309513  75.89003 4.815858  72.00443 5.075739  3.885605       6.996829  
1 1 1 22 6  18 o 124.2052 2.862279  155.3629       5.017547  166.6702       10.03509  144.0555       10.03509  128.7570 3.896911  119.6533 4.193406  9.103767       5.724558  
1 1 1 22 6  19 o 112.3527 3.098627  128.0356       4.879362  108.4991       9.758724  147.5721       9.758724  103.6585 4.707153  121.0470 4.030965  -17.38855      6.197255  
1 1 1 22 6  20 o 59.27681 6.535642  39.23503       4.950837  57.55169       9.901674  20.91836       9.901674  75.02849 6.598609  43.52513 11.28347  31.50336       13.07128  
1 1 1 22 6  21 f 72.41962 7.101219  57.45163       6.837778  73.37150       13.67556  41.53175       13.67556  83.83977 8.155769  60.99948 11.62724  22.84029       14.20244  
1 1 1 22 6  22 o 67.67235 7.423682  51.74792       6.675768  66.63379       13.35154  36.86205       13.35154  79.13422 8.436007  56.21047 12.21794  22.92376       14.84736  
1 1 1 22 6  23 o 44.04783 13.83109  25.03532       13.55167  25.03532       13.55167  ?              ?         44.04783 13.83109  ?        ?         ?              ?         
1 1 1 22 7  0  o 245.9053 3.943629  605.2505       19.38403  605.2505       19.38403  605.2505       19.38403  245.9053 3.943629  245.9053 3.943629  0.000000       0.000000  
1 1 1 22 7  1  o 317.9557 1.805358  1011.348       8.114799  1043.755       16.22960  978.9410       16.22960  323.0519 2.511918  312.8596 2.593750  10.19223       3.610717  
1 1 1 22 7  2  o 738.7506 3.912382  5461.944       40.86465  5322.536       81.72931  5601.355       81.72931  729.3151 5.603155  748.1861 5.461831  -18.87103      7.824765  
1 1 1 22 7  3  o 287.5130 1.708784  828.3098       6.928313  900.2042       13.85663  756.4155       13.85663  300.0158 2.309316  275.0102 2.519293  25.00558       3.417569  
1 1 1 22 7  4  o 182.1324 1.533664  331.7680       3.950187  328.6231       7.900373  334.9129       7.900373  181.2690 2.179185  182.9957 2.158623  -1.726715      3.067328  
1 1 1 22 7  5  o 285.4350 1.696343  816.4068       6.828248  887.1004       13.65650  745.7133       13.65650  297.8185 2.292755  273.0515 2.500718  24.76697       3.392686  
1 1 1 22 7  6  o 157.2878 1.309493  247.5037       2.911416  256.3667       5.822832  238.6408       5.822832  160.1052 1.818439  154.4704 1.884773  5.634811       2.618987  
1 1 1 22 7  7  o 124.4608 1.351007  156.1872       2.349146  128.2738       4.698292  184.1006       4.698292  113.2471 2.074354  135.6746 1.731456  -22.42745      2.702015  
1 1 1 22 7  8  o 492.9464 2.751237  2431.809       19.17913  2409.480       38.35827  2454.138       38.35827  490.6815 3.908672  495.2112 3.872920  -4.529663      5.502474  
1 1 1 22 7  9  o 118.0261 1.341922  139.3429       2.239551  142.0066       4.479102  136.6793       4.479102  119.1546 1.879534  116.8977 1.915821  2.256821       2.683844  
1 1 1 22 7  10 o 157.0383 1.416952  246.7794       3.144901  236.7634       6.289802  256.7955       6.289802  153.8492 2.044145  160.2273 1.962775  -6.378098      2.833904  
1 1 1 22 7  11 o 35.82478 3.234984  13.59455       1.486681  8.148153       2.973361  19.04095       2.973361  28.03326 5.499302  43.61631 3.408543  -15.58304      6.469968  
1 1 1 22 7  12 o 132.9116 1.451755  178.0919       2.696991  209.3075       5.393982  146.8764       5.393982  144.6546 1.864435  121.1687 2.225816  23.48593       2.903510  
1 1 1 22 7  13 o 121.8133 1.593415  148.4727       2.744641  151.1554       5.489282  145.7900       5.489282  122.9145 2.232968  120.7122 2.273706  2.202301       3.186830  
1 1 1 22 7  14 o 360.6896 2.235935  1303.428       11.39312  1372.950       22.78624  1233.907       22.78624  370.3269 3.076503  351.0524 3.245419  19.27457       4.471869  
1 1 1 22 7  15 o 139.6363 1.827949  195.4461       3.602341  181.0129       7.204682  209.8793       7.204682  134.4682 2.678955  144.8045 2.487728  -10.33629      3.655898  
1 1 1 22 7  16 o 73.86235 3.670800  58.02343       3.507041  84.49301       7.014082  31.55384       7.014082  91.78053 3.821117  55.94416 6.268825  35.83637       7.341601  
1 1 1 22 7  17 o 18.04862 5.879857  -5.460692      3.507041  -7.338103      7.014082  -3.583282      7.014082  17.03316 7.999691  19.06408 8.619502  -2.030922      11.75971  
1 1 1 22 7  18 o 64.22785 4.768817  42.91360       4.169377  56.04595       8.338754  29.78126       8.338754  74.45110 5.600154  54.00460 7.720410  20.44650       9.537634  
1 1 1 22 7  19 o 159.0351 2.432816  254.3510       5.470222  247.7134       10.94044  260.9887       10.94044  156.9482 3.485367  161.1219 3.395082  -4.173691      4.865631  
1 1 1 22 7  20 o 55.71827 6.887886  36.03771       5.098552  59.32427       10.19710  12.75115       10.19710  76.13934 6.696344  35.29721 12.03872  40.84213       13.77577  
1 1 1 22 7  21 o 58.70871 7.739908  38.44404       6.180207  27.10333       12.36041  49.78474       12.36041  48.66864 12.60209  68.74879 8.989552  -20.08015      15.47982  
1 1 1 22 7  22 o 41.13509 8.422095  16.77757       6.518523  36.38555       13.03705  -2.830411      13.03705  55.97301 11.99285  26.29717 11.82786  29.67584       16.84419  
1 1 1 22 7  23 o 33.13616 14.07930  9.244103       16.29631  9.244103       16.29631  ?              ?         33.13616 14.07930  ?        ?         ?              ?         
1 1 1 22 8  0  o 345.2637 3.819800  1192.689       26.36952  1192.689       26.36952  1192.689       26.36952  345.2637 3.819800  345.2637 3.819800  0.000000       0.000000  
1 1 1 22 8  1  o 445.8631 2.488564  1988.497       15.69115  2004.541       31.38230  1972.454       31.38230  447.6623 3.505131  444.0639 3.533534  3.598358       4.977129  
1 1 1 22 8  2  o 233.7517 1.604205  546.7649       5.298682  521.0149       10.59736  572.5150       10.59736  228.2437 2.321502  239.2597 2.214615  -11.01599      3.208410  
1 1 1 22 8  3  o 414.8076 2.560557  1721.309       15.01929  1750.480       30.03857  1692.138       30.03857  418.3239 3.590349  411.2914 3.651739  7.032471       5.121113  
1 1 1 22 8  4  o 231.9902 1.422564  542.1047       4.617287  633.1830       9.234573  451.0265       9.234573  251.6200 1.835024  212.3605 2.174268  39.25951       2.845129  
1 1 1 22 8  5  o 234.6851 1.524562  552.5497       5.036607  613.6846       10.07321  491.4146       10.07321  247.7100 2.033268  221.6602 2.272220  26.04979       3.049125  
1 1 1 22 8  6  o 444.6187 2.475930  1977.847       15.56726  2004.207       31.13452  1951.488       31.13452  447.5831 3.478072  441.6544 3.524761  5.928650       4.951861  
1 1 1 22 8  7  o 360.4012 2.009888  1300.931       10.22569  1390.837       20.45139  1211.025       20.45139  372.8743 2.742397  347.9282 2.939024  24.94614       4.019777  
1 1 1 22 8  8  f 193.8394 1.394086  375.8157       3.821531  373.0043       7.643063  378.6270       7.643063  193.1142 1.978897  194.5646 1.964145  -1.450363      2.788171  
1 1 1 22 8  9  o 165.2047 1.287245  274.1782       2.987656  237.9738       5.975312  310.3827       5.975312  154.2473 1.936926  176.1622 1.695969  -21.91490      2.574489  
1 1 1 22 8  10 o 143.0199 1.413711  204.6235       2.859001  208.4688       5.718002  200.7781       5.718002  144.3642 1.980409  141.6755 2.017992  2.688675       2.827421  
1 1 1 22 8  11 o 231.8936 1.559131  537.9734       5.112847  544.4491       10.22569  531.4979       10.22569  233.2899 2.191628  230.4974 2.218180  2.792496       3.118262  
1 1 1 22 8  12 o 269.4324 1.702759  727.5634       6.470873  788.6937       12.94175  666.4332       12.94175  280.7766 2.304634  258.0881 2.507234  22.68851       3.405519  
1 1 1 22 8  13 o 250.4647 1.656194  627.7128       5.865717  638.8819       11.73143  616.5436       11.73143  252.6944 2.321270  248.2350 2.362970  4.459381       3.312389  
1 1 1 22 8  14 o 177.5351 1.575396  315.9101       3.945422  290.0647       7.890843  341.7555       7.890843  170.2561 2.317345  184.8140 2.134806  -14.55791      3.150791  
1 1 1 22 8  15 o 176.3916 1.654364  311.4262       4.126492  306.3801       8.252983  316.4724       8.252983  174.9612 2.358519  177.8219 2.320575  -2.860764      3.308728  
1 1 1 22 8  16 o 132.2943 1.817019  175.4950       3.392681  162.6867       6.785362  188.3033       6.785362  127.4534 2.661899  137.1351 2.473970  -9.681694      3.634038  
1 1 1 22 8  17 o 79.43756 3.132587  63.62230       3.507041  57.56122       7.014082  69.68339       7.014082  75.62256 4.637560  83.25256 4.212533  -7.629997      6.265173  
1 1 1 22 8  18 o 67.50929 4.135739  46.83997       3.854887  58.35221       7.709774  35.32772       7.709774  76.03571 5.069838  58.98288 6.535603  17.05283       8.271479  
1 1 1 22 8  19 o 49.85602 6.806660  26.77931       4.622052  25.04485       9.244103  28.51377       9.244103  48.09801 9.947103  51.61402 9.293958  -3.516010      13.61332  
1 1 1 22 8  20 o 96.90475 4.208133  95.66695       5.765652  93.32732       11.53130  98.00657       11.53130  95.69758 6.024868  98.11193 5.876607  -2.414352      8.416266  
1 1 1 22 8  21 o 114.7957 3.935630  134.7066       6.375573  144.6940       12.75115  124.7192       12.75115  119.1458 5.351068  110.4456 5.772591  8.700203       7.871260  
1 1 1 22 8  22 o 149.0793 3.479252  227.2429       7.328573  216.2453       14.65715  238.2406       14.65715  145.3908 5.040602  152.7678 4.797196  -7.377014      6.958503  
1 1 1 22 9  0  o 699.1639 7.487155  4893.047       104.6680  4893.047       104.6680  4893.047       104.6680  699.1639 7.487155  699.1639 7.487155  0.000000       0.000000  
1 1 1 22 9  1  o 448.5903 2.432762  2013.256       15.42908  1957.596       30.85815  2068.916       30.85815  442.3864 3.487692  454.7942 3.392541  -12.40771      4.865524  
1 1 1 22 9  2  o 243.8557 1.449410  594.7151       4.998487  593.4905       9.996975  595.9397       9.996975  243.6046 2.051885  244.1068 2.047664  -0.5021667     2.898820  
1 1 1 22 9  3  o 346.4692 2.035654  1200.752       9.973149  1222.051       19.94630  1179.452       19.94630  349.5430 2.853196  343.3954 2.904275  6.147583       4.071308  
1 1 1 22 9  4  o 409.2140 2.269923  1675.818       13.12758  1746.707       26.25516  1604.929       26.25516  417.8756 3.141504  400.5524 3.277369  17.32318       4.539845  
1 1 1 22 9  5  o 285.9444 1.815773  824.2071       7.257098  679.6799       14.51420  968.7344       14.51420  260.6725 2.783991  311.2163 2.331851  -50.54379      3.631547  
1 1 1 22 9  6  o 218.1486 1.387794  476.5002       4.274207  508.5115       8.548413  444.4889       8.548413  225.4856 1.895556  210.8116 2.027501  14.67409       2.775589  
1 1 1 22 9  7  o 255.4435 1.599448  653.9631       5.760887  595.8826       11.52177  712.0438       11.52177  244.0750 2.360294  266.8121 2.159155  -22.73717      3.198897  
1 1 1 22 9  8  o 197.3352 1.332526  389.9582       3.711936  417.1568       7.423873  362.7596       7.423873  204.2267 1.817557  190.4437 1.949099  13.78297       2.665052  
1 1 1 22 9  9  o 149.9806 1.235614  224.9843       2.620751  226.4615       5.241503  223.5072       5.241503  150.4730 1.741675  149.4881 1.753150  0.9848938      2.471228  
1 1 1 22 9  10 f 346.9037 2.166921  1204.259       10.63072  1210.530       21.26144  1197.988       21.26144  347.8075 3.056495  345.9999 3.072463  1.807617       4.333843  
1 1 1 22 9  11 o 231.7251 1.528810  537.9926       4.998487  495.8556       9.996975  580.1295       9.996975  222.6331 2.245168  240.8171 2.075636  -18.18401      3.057621  
1 1 1 22 9  12 o 208.4596 1.526469  434.8493       4.498162  420.0159       8.996324  449.6828       8.996324  204.9018 2.195277  212.0175 2.121599  -7.115738      3.052938  
1 1 1 22 9  13 o 206.5646 1.557128  427.9639       4.531517  385.0026       9.063033  470.9251       9.063033  196.1656 2.310047  216.9636 2.088607  -20.79797      3.114257  
1 1 1 22 9  14 o 55.53379 3.374994  30.93916       2.649341  29.83844       5.298682  32.03988       5.298682  54.54276 4.857366  56.52482 4.687040  -1.982063      6.749989  
1 1 1 22 9  15 o 120.9721 1.876873  146.7764       3.202081  134.2015       6.404162  159.3512       6.404162  115.7747 2.765786  126.1695 2.537919  -10.39482      3.753746  
1 1 1 22 9  16 o 161.6290 1.951455  261.8654       4.455277  247.1321       8.910554  276.5988       8.910554  157.0712 2.836469  166.1868 2.680885  -9.115555      3.902910  
1 1 1 22 9  17 o 105.9274 2.878239  112.8353       4.307562  118.5247       8.615124  107.1458       8.615124  108.6130 3.965975  103.2419 4.172300  5.371056       5.756479  
1 1 1 22 9  18 o 113.3135 3.115515  129.3889       4.988957  123.7280       9.977913  135.0497       9.977913  110.8156 4.502035  115.8113 4.307831  -4.995712      6.231030  
1 1 1 22 9  19 o 64.95818 5.654290  43.55212       5.193852  42.91360       10.38770  44.19063       10.38770  64.46671 8.056643  65.44965 7.935646  -0.9829483     11.30858  
1 1 1 22 9  20 o 28.62722 8.069740  2.806586       5.355862  11.36929       10.71172  -5.756122      10.71172  34.27758 12.27951  22.97686 10.47361  11.30073       16.13948  
1 1 1 22 9  21 o 91.42948 4.813838  86.36090       6.223093  88.28596       12.44619  84.43583       12.44619  92.48224 6.728960  90.37672 6.885725  2.105515       9.627675  
1 1 1 22 9  22 o 29.87187 8.502225  0.2287209      6.504228  16.78234       13.00846  -16.32490      13.00846  38.44721 13.55611  21.29652 10.26564  17.15068       17.00445  
1 1 1 22 10 0  f 547.6512 5.885874  3001.475       64.45141  3001.475       64.45141  3001.475       64.45141  547.6512 5.885874  547.6512 5.885874  0.000000       0.000000  
1 1 1 22 10 1  o 397.8138 2.194858  1583.091       12.34612  1550.112       24.69224  1616.069       24.69224  393.6688 3.136169  401.9588 3.071489  -8.289978      4.389716  
1 1 1 22 10 2  o 570.0404 3.242843  3251.285       26.14080  3208.952       52.28160  3293.617       52.28160  566.3273 4.615847  573.7535 4.556103  -7.426208      6.485685  
1 1 1 22 10 3  o 211.8880 1.344574  449.9163       4.016897  490.2615       8.033793  409.5710       8.033793  221.4084 1.814247  202.3676 1.984950  19.04082       2.689149  
1 1 1 22 10 4  o 225.9554 1.395730  510.6223       4.460042  511.1894       8.920084  510.0554       8.920084  226.0809 1.972764  225.8299 1.974956  0.2509613      2.791460  
1 1 1 22 10 5  o 431.5994 2.371111  1863.640       14.47131  1892.754       28.94262  1834.526       28.94262  434.9722 3.326951  428.2266 3.379359  6.745605       4.742222  
1 1 1 22 10 6  o 483.6487 2.668980  2340.684       18.25472  2363.241       36.50945  2318.126       36.50945  485.9807 3.756265  481.3167 3.792664  4.664001       5.337961  
1 1 1 22 10 7  o 236.0776 1.513147  558.2200       5.041372  599.6946       10.08274  516.7454       10.08274  244.8617 2.058865  227.2935 2.218001  17.56821       3.026294  
1 1 1 22 10 8  o 290.1433 1.748904  842.1188       7.176094  846.9982       14.35219  837.2394       14.35219  290.9842 2.466146  289.3025 2.480481  1.681702       3.497808  
1 1 1 22 10 9  o 388.7976 2.227210  1512.555       12.24605  1505.474       24.49211  1519.635       24.49211  387.8870 3.157119  389.7082 3.142365  -1.821198      4.454421  
1 1 1 22 10 10 o 291.3649 1.763864  849.8047       7.261863  890.2262       14.52373  809.3833       14.52373  298.3014 2.434404  284.4283 2.553144  13.87314       3.527729  
1 1 1 22 10 11 o 147.1830 1.448007  216.8219       3.011481  206.5914       6.022963  227.0524       6.022963  143.7076 2.095561  150.6585 1.998880  -6.950851      2.896014  
1 1 1 22 10 12 o 73.35181 2.074640  54.69746       2.101366  68.25389       4.202732  41.14103       4.202732  82.59250 2.544257  64.11111 3.277694  18.48138       4.149280  
1 1 1 22 10 13 o 181.3819 1.557802  329.2997       3.993072  314.8523       7.986144  343.7473       7.986144  177.3993 2.250895  185.3645 2.154173  -7.965225      3.115604  
1 1 1 22 10 14 o 76.55946 2.440421  59.01931       2.620751  50.36607       5.241503  67.67256       5.241503  70.90813 3.695981  82.21078 3.187844  -11.30264      4.880842  
1 1 1 22 10 15 f 272.6354 1.838946  744.1265       7.090323  744.6554       14.18065  743.5977       14.18065  272.7324 2.599737  272.5384 2.601587  0.1940002      3.677892  
1 1 1 22 10 16 o 158.0483 2.031694  250.2341       4.541047  251.8970       9.082094  248.5711       9.082094  158.5744 2.863669  157.5222 2.882798  1.052216       4.063389  
1 1 1 22 10 17 o 111.0999 2.693493  123.9806       4.231322  121.4504       8.462644  126.5108       8.462644  109.9612 3.848014  112.2386 3.769934  -2.277428      5.386986  
1 1 1 22 10 18 o 123.0746 2.756851  152.3466       4.798357  151.5938       9.596713  153.0995       9.596713  122.7687 3.908453  123.3804 3.889075  -0.6117325     5.513702  
1 1 1 22 10 19 o 32.49730 8.520607  9.144038       5.284387  5.918132       10.56877  12.36995       10.56877  29.83452 11.86085  35.16007 12.23615  -5.325546      17.04121  
1 1 1 22 10 20 o 29.41317 8.514080  4.536282       5.641763  4.059782       11.28353  5.012782       11.28353  29.10110 11.99811  29.72523 12.08320  -0.6241322     17.02816  
1 1 1 22 10 21 o 39.75643 9.138534  17.50662       6.084907  23.59629       12.16981  11.41694       12.16981  45.03386 12.86659  34.47900 12.98083  10.55485       18.27707  
1 1 1 22 10 22 o 37.11777 8.065200  1.720167       7.185624  -33.72668      14.37125  37.16702       14.37125  18.75413 9.358898  55.48141 13.13776  -36.72729      16.13040  
1 1 1 22 11 0  f 533.5931 5.796231  2849.424       61.84020  2849.424       61.84020  2849.424       61.84020  533.5931 5.796231  533.5931 5.796231  0.000000       0.000000  
1 1 1 22 11 1  o 231.9852 1.422525  538.7502       4.660172  572.3053       9.320344  505.1951       9.320344  239.2174 1.948091  224.7531 2.073463  14.46436       2.845050  
1 1 1 22 11 2  o 391.1129 2.349435  1530.981       12.98463  1459.968       25.96926  1601.994       25.96926  382.0346 3.398810  400.1912 3.244606  -18.15659      4.698870  
1 1 1 22 11 3  f 137.7513 1.144965  190.6096       2.215726  215.8641       4.431452  165.3551       4.431452  146.9180 1.508138  128.5845 1.723166  18.33344       2.289931  
1 1 1 22 11 4  f 564.4160 3.041031  3188.554       24.26339  3081.584       48.52678  3295.523       48.52678  554.9398 4.372256  573.8921 4.227866  -18.95227      6.082062  
1 1 1 22 11 5  o 199.6814 1.424862  402.4044       3.969247  478.3490       7.938493  326.4598       7.938493  218.6979 1.814945  180.6650 2.197020  38.03287       2.849724  
1 1 1 22 11 6  o 153.0145 1.298600  234.3666       2.806586  247.9040       5.613173  220.8292       5.613173  157.4380 1.782661  148.5909 1.888801  8.847122       2.597200  
1 1 1 22 11 7  o 491.0227 2.686033  2412.916       18.65022  2373.276       37.30043  2452.556       37.30043  486.9863 3.829722  495.0592 3.767270  -8.072937      5.372066  
1 1 1 22 11 8  f 103.2215 1.253532  107.3126       1.810701  89.46767       3.621402  125.1575       3.621402  94.57751 1.914515  111.8655 1.618641  -17.28799      2.507063  
1 1 1 22 11 9  o 170.9806 1.378857  292.6140       3.330736  307.8191       6.661473  277.4089       6.661473  175.4270 1.898645  166.5341 2.000033  8.892899       2.757714  
1 1 1 22 11 10 o 251.9543 1.639917  635.5131       5.837128  601.8007       11.67426  669.2255       11.67426  245.2641 2.379936  258.6445 2.256815  -13.38039      3.279833  
1 1 1 22 11 11 o 289.8599 1.889116  840.7226       7.743128  854.7366       15.48626  826.7087       15.48626  292.2773 2.649241  287.4425 2.693800  4.834717       3.778232  
1 1 1 22 11 12 o 263.9470 1.735229  697.1865       6.475638  714.9600       12.95128  679.4130       12.95128  267.3138 2.422485  260.5801 2.485085  6.733734       3.470459  
1 1 1 22 11 13 o 248.0759 1.694264  616.2292       5.937192  650.3084       11.87438  582.1498       11.87438  254.9446 2.328817  241.2072 2.461450  13.73743       3.388528  
1 1 1 22 11 14 o 167.5861 1.681144  281.5353       3.974012  304.9124       7.948023  258.1583       7.948023  174.5607 2.276578  160.6114 2.474303  13.94933       3.362288  
1 1 1 22 11 15 o 94.15388 2.498114  90.54932       3.230671  65.86185       6.461343  115.2368       6.461343  81.04372 3.986332  107.2641 3.011886  -26.22034      4.996229  
1 1 1 22 11 16 o 80.68893 3.088970  65.89521       3.483216  54.31149       6.966432  77.47894       6.966432  73.51092 4.738366  87.86694 3.964195  -14.35602      6.177941  
1 1 1 22 11 17 o 96.82248 2.824318  95.56212       3.783412  118.2006       7.566823  72.92359       7.566823  108.5132 3.486591  85.13174 4.444185  23.38148       5.648636  
1 1 1 22 11 18 o 65.51377 4.647509  44.43364       4.178907  56.54151       8.357814  32.32578       8.357814  74.75448 5.590176  56.27306 7.426122  18.48141       9.295017  
1 1 1 22 11 19 o 143.4540 2.707958  207.9590       5.465457  183.8147       10.93091  232.1032       10.93091  135.0386 4.047328  151.8693 3.598790  -16.83067      5.415916  
1 1 1 22 11 20 o 74.20102 5.760904  58.85254       5.737062  38.34874       11.47412  79.35635       11.47412  60.38463 9.500866  88.01741 6.518100  -27.63278      11.52181  
1 1 1 22 11 21 o 28.34137 8.680742  -2.425386      6.866368  -14.01864      13.73274  9.167863       13.73274  22.96789 10.93933  33.71484 13.48155  -10.74696      17.36148  
1 1 1 22 11 22 o 74.49821 7.500148  62.06415       7.886078  58.00914       15.77216  66.11917       15.77216  71.77666 10.98697  77.21976 10.21251  -5.443100      15.00030  
1 1 1 22 12 0  o 646.1019 6.874509  4178.697       88.81010  4178.697       88.81010  4178.697       88.81010  646.1019 6.874509  646.1019 6.874509  0.000000       0.000000  
1 1 1 22 12 1  o 631.7830 3.374283  3994.168       30.14817  4012.542       60.29633  3975.794       60.29633  633.2371 4.760961  630.3289 4.782927  2.908203       6.748565  
1 1 1 22 12 2  o 572.4476 3.081898  3278.936       24.94955  3299.449       49.89910  3258.422       49.89910  574.2393 4.344800  570.6559 4.372083  3.583374       6.163797  
1 1 1 22 12 3  o 193.9957 1.273109  376.3875       3.492747  374.1861       6.985494  378.5890       6.985494  193.4283 1.805706  194.5631 1.795174  -1.134796      2.546217  
1 1 1 22 12 4  o 316.1443 1.861545  1004.567       8.262513  865.3625       16.52503  1143.772       16.52503  294.1284 2.809152  338.1603 2.443372  -44.03198      3.723090  
1 1 1 22 12 5  o 309.9595 1.808152  961.5536       7.919433  1006.769       15.83887  916.3384       15.83887  317.2532 2.496250  302.6658 2.616560  14.58740       3.616304  
1 1 1 22 12 6  o 466.2994 2.593127  2176.033       17.09683  2226.638       34.19365  2125.429       34.19365  471.7256 3.624316  460.8733 3.709659  10.85233       5.186255  
1 1 1 22 12 7  o 238.3877 1.543821  568.8698       5.198617  537.1396       10.39723  600.5999       10.39723  231.7325 2.243370  245.0428 2.121514  -13.31032      3.087641  
1 1 1 22 12 8  o 261.3037 1.577017  683.0011       5.827598  678.4028       11.65520  687.5994       11.65520  260.4239 2.237736  262.1836 2.222716  -1.759705      3.154033  
1 1 1 22 12 9  o 146.8447 1.217294  216.3644       2.515921  240.6802       5.031842  192.0486       5.031842  155.1242 1.621876  138.5653 1.815693  16.55884       2.434589  
1 1 1 22 12 10 o 131.5546 1.430453  173.2269       2.658871  164.6785       5.317742  181.7753       5.317742  128.3056 2.072295  134.8036 1.972404  -6.497986      2.860906  
1 1 1 22 12 11 o 245.6874 1.717203  603.9545       5.965783  593.1570       11.93157  614.7520       11.93157  243.4901 2.450114  247.8848 2.406675  -4.394791      3.434405  
1 1 1 22 12 12 o 222.0174 1.704552  493.8400       5.341567  529.3155       10.68313  458.3646       10.68313  230.0068 2.322352  214.0281 2.495732  15.97867       3.409105  
1 1 1 22 12 13 o 316.0416 1.959889  999.7690       8.758074  1022.198       17.51615  977.3400       17.51615  319.5900 2.740409  312.4932 2.802645  7.096802       3.919778  
1 1 1 22 12 14 o 128.4352 1.909346  166.6036       3.421271  197.9668       6.842543  135.2403       6.842543  140.6450 2.432559  116.2255 2.943650  24.41949       3.818693  
1 1 1 22 12 15 o 40.07647 5.670025  16.82522       3.102016  17.59239       6.204032  16.05806       6.204032  41.04797 7.837721  39.10497 8.195539  1.943005       11.34005  
1 1 1 22 12 16 o 62.59556 4.123263  39.94978       3.588047  48.31712       7.176094  31.58243       7.176094  69.27921 5.179110  55.91190 6.417322  13.36731       8.246527  
1 1 1 22 12 17 o 38.57677 7.402112  15.95323       4.140787  16.22960       8.281574  15.67686       8.281574  38.89368 10.42967  38.25985 10.50652  0.6338348      14.80422  
1 1 1 22 12 18 o 86.45464 3.745503  75.54434       4.579167  76.50687       9.158334  74.58181       9.158334  87.01131 5.262726  85.89797 5.330937  1.113335       7.491007  
1 1 1 22 12 19 o 29.34021 8.486444  4.002601       5.660822  0.6575702      11.32164  7.347633       11.32164  27.12361 11.63609  31.55682 12.35639  -4.433212      16.97289  
1 1 1 22 12 20 o 56.19918 7.798484  34.57485       6.070612  39.05395       12.14122  30.09575       12.14122  60.66327 10.00707  51.73510 11.96345  8.928162       15.59697  
1 1 1 22 12 21 o 46.21561 7.460043  19.17913       6.909253  51.37625       13.81851  -13.01799      13.81851  69.02775 10.00939  23.40346 11.06441  45.62429       14.92009  
1 1 1 22 12 22 o 34.81171 14.02179  11.11199       15.00976  11.11199       15.00976  ?              ?         34.81171 14.02179  ?        ?         ?              ?         
1 1 1 22 13 0  o 137.5601 2.843140  189.4946       7.814603  189.4946       7.814603  189.4946       7.814603  137.5601 2.843140  137.5601 2.843140  0.000000       0.000000  
1 1 1 22 13 1  o 211.6823 1.475517  448.1579       4.417156  449.1490       8.834313  447.1668       8.834313  211.9164 2.084387  211.4482 2.089002  0.4682159      2.951034  
1 1 1 22 13 2  o 224.0928 1.432891  502.2455       4.541047  502.5933       9.082094  501.8976       9.082094  224.1704 2.025712  224.0152 2.027115  0.1552124      2.865782  
1 1 1 22 13 3  o 530.0730 2.901832  2811.542       21.75224  2781.084       43.50447  2842.000       43.50447  527.2000 4.125993  532.9460 4.081508  -5.745972      5.803665  
1 1 1 22 13 4  o 206.8908 1.336173  428.6071       3.902537  458.0692       7.805074  399.1451       7.805074  214.0110 1.823522  199.7706 1.953509  14.24037       2.672345  
1 1 1 22 13 5  o 149.0787 1.211762  222.5923       2.549276  239.3937       5.098552  205.7909       5.098552  154.7138 1.647737  143.4436 1.777197  11.27016       2.423524  
1 1 1 22 13 6  o 261.3711 1.603412  684.3495       5.913367  631.2865       11.82673  737.4127       11.82673  251.2202 2.353858  271.5220 2.177859  -20.30180      3.206824  
1 1 1 22 13 7  o 327.4728 1.899795  1072.978       8.796195  1099.839       17.59239  1046.118       17.59239  331.5740 2.652860  323.3717 2.720150  8.202271       3.799590  
1 1 1 22 13 8  o 204.0066 1.383609  416.5279       3.988307  396.3147       7.976613  436.7410       7.976613  199.0526 2.003645  208.9606 1.908640  -9.908081      2.767219  
1 1 1 22 13 9  o 83.58520 1.582929  70.80794       1.834526  54.78799       3.669051  86.82786       3.669051  74.00220 2.479015  93.16820 1.969047  -19.16600      3.165859  
1 1 1 22 13 10 o 81.81369 1.681095  67.09599       1.939356  73.01890       3.878712  61.17310       3.878712  85.43343 2.270020  78.19394 2.480187  7.239494       3.362189  
1 1 1 22 13 11 o 272.0400 1.744432  740.9292       6.704357  779.5925       13.40871  702.2659       13.40871  279.1462 2.401737  264.9339 2.530578  14.21231       3.488863  
1 1 1 22 13 12 o 117.2815 1.689446  137.6371       2.801821  140.0053       5.603642  135.2689       5.603642  118.2911 2.368582  116.2719 2.409716  2.019249       3.378891  
1 1 1 22 13 13 o 174.0316 1.651563  303.3162       4.059782  320.6846       8.119563  285.9478       8.119563  179.0216 2.267760  169.0416 2.401647  9.980042       3.303126  
1 1 1 22 13 14 o 168.7142 1.742572  288.7400       4.074077  222.5446       8.148153  354.9355       8.148153  149.0966 2.732509  188.3318 2.163244  -39.23523      3.485144  
1 1 1 22 13 15 o 28.06271 6.072419  6.651943       3.092486  -0.6289803     6.184973  13.93286       6.184973  19.78946 8.547180  36.33597 8.628023  -16.54651      12.14484  
1 1 1 22 13 16 o 117.7867 2.499737  140.4723       4.107431  114.0074       8.214863  166.9371       8.214863  106.5525 3.854843  129.0209 3.183539  -22.46842      4.999474  
1 1 1 22 13 17 o 99.89589 3.113382  100.6178       4.388567  92.90800       8.777133  108.3276       8.777133  96.03699 4.569663  103.7548 4.229748  -7.717796      6.226764  
1 1 1 22 13 18 o 34.44907 7.982850  11.84103       4.612522  7.652593       9.225043  16.02947       9.225043  30.28147 11.32121  38.61666 11.25761  -8.335192      15.96570  
1 1 1 22 13 19 o 47.98125 7.956803  25.40699       5.327272  21.59499       10.65454  29.21899       10.65454  44.17808 11.82232  51.78441 10.65250  -7.606331      15.91361  
1 1 1 22 13 20 o 79.39785 5.777423  67.16747       6.242152  47.01151       12.48430  87.32343       12.48430  66.70483 9.357871  92.09087 6.778254  -25.38603      11.55485  
1 1 1 22 13 21 o 34.64765 9.511705  7.676419       7.357163  20.37515       14.71433  -5.022312      14.71433  42.10281 14.45837  27.19249 12.36307  14.91032       19.02341  
1 1 1 22 13 22 o 30.83479 13.55027  2.249081       16.08665  2.249081       16.08665  ?              ?         30.83479 13.55027  ?        ?         ?              ?         
1 1 1 22 14 0  o 57.87735 3.711441  33.91728       4.259912  33.91728       4.259912  33.91728       4.259912  57.87735 3.711441  57.87735 3.711441  0.000000       0.000000  
1 1 1 22 14 1  o 528.3767 2.843621  2793.520       21.24714  2755.810       42.49429  2831.231       42.49429  524.8082 4.048554  531.9452 3.994236  -7.137024      5.687241  
1 1 1 22 14 2  o 327.1403 1.888032  1070.539       8.734248  1055.372       17.46850  1085.706       17.46850  324.8222 2.688933  329.4584 2.651093  -4.636261      3.776063  
1 1 1 22 14 3  o 41.67622 2.231729  17.37796       1.315140  17.74487       2.630281  17.01106       2.630281  42.11641 3.122632  41.23604 3.189299  0.8803673      4.463458  
1 1 1 22 14 4  o 357.0173 2.057241  1275.824       10.37817  1336.459       20.75635  1215.190       20.75635  365.5092 2.839375  348.5255 2.977737  16.98364       4.114483  
1 1 1 22 14 5  o 53.55115 2.017756  28.90927       1.510506  33.94588       3.021011  23.87266       3.021011  58.25377 2.592975  48.84853 3.092223  9.405231       4.035513  
1 1 1 22 14 6  o 161.3940 1.226306  260.9363       2.792291  240.1180       5.584582  281.7545       5.584582  154.9445 1.802124  167.8435 1.663628  -12.89905      2.452612  
1 1 1 22 14 7  o 327.1003 1.888132  1070.777       8.729484  1029.736       17.45897  1111.818       17.45897  320.8268 2.720933  333.3737 2.618528  -12.54688      3.776264  
1 1 1 22 14 8  o 120.5948 1.256006  145.7948       2.134721  131.8667       4.269442  159.7229       4.269442  114.8201 1.859188  126.3696 1.689268  -11.54950      2.512012  
1 1 1 22 14 9  o 316.4211 1.890302  1001.832       8.457878  1019.386       16.91576  984.2778       16.91576  319.1949 2.649754  313.6472 2.696622  5.547729       3.780603  
1 1 1 22 14 10 o 185.5144 1.485584  345.3864       3.878712  306.2943       7.757423  384.4785       7.757423  174.9783 2.216682  196.0506 1.978424  -21.07227      2.971168  
1 1 1 22 14 11 o 227.5942 1.610717  518.2272       5.184323  520.6050       10.36865  515.8496       10.36865  228.1166 2.272664  227.0718 2.283120  1.044739       3.221434  
1 1 1 22 14 12 o 233.4689 1.782923  545.5213       5.884778  561.8699       11.76956  529.1725       11.76956  236.9702 2.483341  229.9676 2.558959  7.002533       3.565846  
1 1 1 22 14 13 o 250.5909 1.717106  628.4514       6.084907  635.9657       12.16981  620.9370       12.16981  252.0902 2.413782  249.0915 2.442840  2.998642       3.434212  
1 1 1 22 14 14 o 50.99124 4.177299  26.39334       2.968596  31.52525       5.937192  21.26144       5.937192  56.02338 5.298852  45.95910 6.459214  10.06429       8.354597  
1 1 1 22 14 15 o 151.3954 1.959404  229.6493       4.193202  221.4963       8.386403  237.8022       8.386403  148.7029 2.819853  154.0880 2.721303  -5.385178      3.918808  
1 1 1 22 14 16 f 156.3663 2.051610  245.3166       4.531517  231.6458       9.063033  258.9874       9.063033  151.9949 2.981362  160.7377 2.819200  -8.742813      4.103220  
1 1 1 22 14 17 o 81.76629 3.738119  67.52484       4.321856  68.93051       8.643713  66.11917       8.643713  82.62585 5.230635  80.90672 5.341777  1.719131       7.476237  
1 1 1 22 14 18 o 50.87518 6.368169  27.94197       4.355212  37.16702       8.710423  18.71693       8.710423  60.27354 7.225744  41.47681 10.48823  18.79673       12.73634  
1 1 1 22 14 19 o 116.8033 3.568697  138.2089       5.894307  135.8883       11.78861  140.5294       11.78861  115.8100 5.089638  117.7967 5.003798  -1.986725      7.137395  
1 1 1 22 14 20 o 75.49149 5.730555  59.48629       6.113498  62.01174       12.22700  56.96083       12.22700  77.16415 7.922718  73.81882 8.281761  3.345337       11.46111  
1 1 1 22 14 21 o 48.74797 9.907956  28.75202       7.271393  23.78689       14.54279  33.71716       14.54279  44.51978 14.36904  52.97617 13.64556  -8.456390      19.81591  
1 1 1 22 14 22 o 63.16420 8.810699  47.58331       7.590649  48.67926       15.18130  46.48736       15.18130  64.04621 12.29026  62.28218 12.62787  1.764030       17.62140  
1 1 1 22 15 0  f 136.6597 2.445971  186.9596       6.680532  186.9596       6.680532  186.9596       6.680532  136.6597 2.445971  136.6597 2.445971  0.000000       0.000000  
1 1 1 22 15 1  o 205.2958 1.381462  422.1029       4.002602  453.2851       8.005203  390.9208       8.005203  212.8902 1.880125  197.7013 2.024570  15.18892       2.762925  
1 1 1 22 15 2  f 253.9232 1.583043  646.3535       5.665587  585.2089       11.33117  707.4979       11.33117  241.8833 2.342282  265.9632 2.130215  -24.07993      3.166086  
1 1 1 22 15 3  o 203.5536 1.344601  414.8553       3.864417  442.0778       7.728833  387.6329       7.728833  210.2404 1.838095  196.8668 1.962960  13.37360       2.689202  
1 1 1 22 15 4  o 288.1247 1.883595  832.4029       7.647829  751.5647       15.29566  913.2411       15.29566  274.0964 2.790197  302.1530 2.531111  -28.05667      3.767190  
1 1 1 22 15 5  o 410.1746 2.338816  1683.418       13.56596  1660.880       27.13192  1705.957       27.13192  407.4271 3.329666  412.9220 3.285357  -5.494843      4.677632  
1 1 1 22 15 6  o 168.2892 1.345674  283.3032       3.202081  277.0753       6.404162  289.5311       6.404162  166.4389 1.923879  170.1395 1.882032  -3.700684      2.691348  
1 1 1 22 15 7  o 265.2473 1.679261  704.1386       6.294568  735.2302       12.58914  673.0470       12.58914  271.1082 2.321792  259.3864 2.426715  11.72177       3.358521  
1 1 1 22 15 8  o 253.6385 1.638254  645.7483       5.846657  720.5637       11.69331  570.9330       11.69331  268.3870 2.178443  238.8902 2.447425  29.49681       3.276508  
1 1 1 22 15 9  o 296.7314 1.794114  880.9488       7.528703  887.2433       15.05741  874.6542       15.05741  297.7921 2.528174  295.6708 2.546313  2.121307       3.588227  
1 1 1 22 15 10 o 352.2727 2.046959  1241.836       10.19710  1257.589       20.39421  1226.083       20.39421  354.5086 2.876405  350.0368 2.913152  4.471832       4.093918  
1 1 1 22 15 11 o 87.70206 1.929269  77.19304       2.382501  85.46507       4.765002  68.92099       4.765002  92.41805 2.577961  82.98608 2.870965  9.431976       3.858539  
1 1 1 22 15 12 o 164.6834 1.697964  273.0822       3.916832  229.7684       7.833663  316.3961       7.833663  151.5327 2.584809  177.8340 2.202521  -26.30130      3.395929  
1 1 1 22 15 13 o 188.7370 1.646087  356.7319       4.388567  376.5114       8.777133  336.9523       8.777133  193.9769 2.262417  183.4970 2.391629  10.47993       3.292175  
1 1 1 22 15 14 o 177.5504 1.759084  316.0054       4.407627  339.6779       8.815253  292.3329       8.815253  184.2169 2.392629  170.8840 2.579309  13.33286       3.518169  
1 1 1 22 15 15 o 206.8506 1.787156  428.7501       5.222442  405.9973       10.44488  451.5031       10.44488  201.3508 2.593703  212.3505 2.459351  -10.99965      3.574311  
1 1 1 22 15 16 o 32.64016 7.297102  10.84514       3.792941  12.43666       7.585882  9.253633       7.585882  34.46291 10.25540  30.81741 10.38353  3.645500       14.59420  
1 1 1 22 15 17 o 101.8677 3.112844  104.5203       4.483867  102.5905       8.967733  106.4501       8.967733  100.9205 4.442968  102.8150 4.361103  -1.894440      6.225688  
1 1 1 22 15 18 f 97.01046 3.770469  95.45252       5.170027  99.03580       10.34005  91.86923       10.34005  98.85732 5.229787  95.16360 5.432778  3.693710       7.540938  
1 1 1 22 15 19 o 26.22634 7.880613  0.6337453      5.208147  4.517222       10.41630  -3.249731      10.41630  28.60869 11.61620  23.84399 10.65270  4.764698       15.76123  
1 1 1 22 15 20 o 80.74601 5.331576  67.69637       6.080142  71.57986       12.16028  63.81290       12.16028  83.15076 7.312191  78.34126 7.761099  4.809494       10.66315  
1 1 1 22 15 21 o 60.44413 8.221737  41.79383       6.852073  49.25106       13.70415  34.33660       13.70415  67.09893 10.21189  53.78932 12.88818  13.30961       16.44347  
1 1 1 22 15 22 o 37.32964 14.55223  15.96276       15.66733  15.96276       15.66733  ?              ?         37.32964 14.55223  ?        ?         ?              ?         
1 1 1 22 16 0  o 194.9775 2.985535  380.5045       11.63613  380.5045       11.63613  380.5045       11.63613  194.9775 2.985535  194.9775 2.985535  0.000000       0.000000  
1 1 1 22 16 1  o 488.4073 2.721030  2387.919       18.78364  2481.499       37.56728  2294.339       37.56728  497.9874 3.771911  478.8272 3.922843  19.16022       5.442059  
1 1 1 22 16 2  o 148.5759 1.322136  220.7864       2.777996  219.2473       5.555993  222.3255       5.555993  148.0580 1.876290  149.0939 1.863253  -1.035904      2.644272  
1 1 1 22 16 3  o 325.7725 1.887777  1061.723       8.696129  1081.084       17.39226  1042.363       17.39226  328.7440 2.645259  322.8011 2.693959  5.942841       3.775554  
1 1 1 22 16 4  o 435.8315 2.558451  1900.855       15.76739  1867.290       31.53478  1934.419       31.53478  431.9809 3.650021  439.6821 3.586089  -7.701263      5.116901  
1 1 1 22 16 5  o 151.9930 1.299594  231.3885       2.787526  213.9581       5.575052  248.8189       5.575052  146.2590 1.905883  157.7269 1.767312  -11.46788      2.599189  
1 1 1 22 16 6  o 367.4714 2.119899  1353.003       10.99286  1250.260       21.98572  1455.746       21.98572  353.4917 3.109793  381.4511 2.881853  -27.95944      4.239798  
1 1 1 22 16 7  f 335.1216 1.993955  1123.726       9.448999  1104.642       18.89800  1142.809       18.89800  332.2743 2.843734  337.9689 2.795819  -5.694580      3.987910  
1 1 1 22 16 8  o 113.0890 1.524862  128.4025       2.425386  112.9305       4.850772  143.8745       4.850772  106.2484 2.282751  119.9296 2.022341  -13.68122      3.049725  
1 1 1 22 16 9  o 203.7312 1.462622  415.3271       4.212262  401.1751       8.424523  429.4792       8.424523  200.2580 2.103418  207.2044 2.032902  -6.946426      2.925244  
1 1 1 22 16 10 o 456.0683 2.579849  2082.234       16.63939  2089.253       33.27877  2075.216       33.27877  456.8378 3.642297  455.2988 3.654608  1.539032       5.159698  
1 1 1 22 16 11 o 162.5800 1.440351  264.4338       3.311677  265.5059       6.623353  263.3617       6.623353  162.9097 2.032829  162.2503 2.041091  0.6594543      2.880702  
1 1 1 22 16 12 o 279.3766 1.865477  781.7081       7.361928  738.3180       14.72386  825.0983       14.72386  271.6111 2.710466  287.1422 2.563862  -15.53101      3.730953  
1 1 1 22 16 13 o 107.3431 2.149663  115.6847       3.249731  103.5340       6.499463  127.8355       6.499463  101.6833 3.195935  113.0028 2.875796  -11.31956      4.299325  
1 1 1 22 16 14 o 157.2223 1.849226  247.6610       4.107431  260.6360       8.214863  234.6859       8.214863  161.3486 2.545687  153.0959 2.682914  8.252716       3.698452  
1 1 1 22 16 15 o 116.1001 2.302228  135.3737       3.769116  147.2100       7.538233  123.5374       7.538233  121.1975 3.109896  111.0026 3.395520  10.19488       4.604456  
1 1 1 22 16 16 o 137.9757 2.264821  191.5769       4.398098  170.0343       8.796194  213.1195       8.796194  130.1690 3.378759  145.7823 3.016893  -15.61333      4.529642  
1 1 1 22 16 17 o 81.06709 3.819812  66.58614       4.364742  60.40116       8.729484  72.77110       8.729484  77.25237 5.649978  84.88181 5.142140  -7.629448      7.639624  
1 1 1 22 16 18 o 126.4739 2.986989  161.5907       5.332037  149.9927       10.66407  173.1888       10.66407  121.8887 4.374512  131.0590 4.068424  -9.170288      5.973979  
1 1 1 22 16 19 o 93.73250 4.396333  89.67735       5.827598  90.22055       11.65520  89.13412       11.65520  94.02226 6.198104  93.44273 6.236545  0.5795288      8.792666  
1 1 1 22 16 20 o 42.05581 8.779944  17.74010       6.709123  35.36584       13.41825  0.1143600      13.41825  55.62070 12.38464  28.49092 12.44871  27.12979       17.55989  
1 1 1 22 16 21 o 72.63340 7.346301  57.97101       7.542998  59.70547       15.08600  56.23655       15.08600  73.82738 10.21707  71.43941 10.55860  2.387970       14.69260  
1 1 1 22 16 22 o 38.75501 14.76842  20.23220       15.90558  20.23220       15.90558  ?              ?         38.75501 14.76842  ?        ?         ?              ?         
1 1 1 22 17 0  o 79.59759 3.292719  63.69855       5.222442  63.69855       5.222442  63.69855       5.222442  79.59759 3.292719  79.59759 3.292719  0.000000       0.000000  
1 1 1 22 17 1  o 368.7527 2.105210  1360.356       10.97856  1361.809       21.95713  1358.902       21.95713  368.9498 2.975626  368.5557 2.978808  0.3941040      4.210421  
1 1 1 22 17 2  o 327.6067 1.872247  1074.565       8.662774  1010.857       17.32555  1138.273       17.32555  317.8834 2.725142  337.3300 2.568042  -19.44653      3.744494  
1 1 1 22 17 3  o 392.4724 2.245499  1541.349       12.46048  1579.941       24.92096  1502.758       24.92096  397.3888 3.135589  387.5558 3.215144  9.832977       4.490999  
1 1 1 22 17 4  o 209.2672 1.500921  438.0943       4.440981  448.6630       8.881963  427.5255       8.881963  211.7924 2.096856  206.7420 2.148079  5.050385       3.001841  
1 1 1 22 17 5  o 321.6463 1.918070  1035.006       8.724718  1041.610       17.44944  1028.402       17.44944  322.6729 2.703889  320.6197 2.721205  2.053253       3.836141  
1 1 1 22 17 6  o 179.7654 1.409698  323.8391       3.573751  295.8399       7.147503  351.8382       7.147503  171.9777 2.078032  187.5531 1.905461  -15.57538      2.819397  
1 1 1 22 17 7  o 280.9424 1.702342  789.7800       6.761538  767.1653       13.52308  812.3947       13.52308  276.9177 2.441714  284.9672 2.372742  -8.049561      3.404684  
1 1 1 22 17 8  o 91.41167 1.630726  85.04575       2.053716  107.0791       4.107431  63.01239       4.107431  103.4634 1.984968  79.35995 2.587849  24.10345       3.261451  
1 1 1 22 17 9  o 217.6256 1.499584  473.9652       4.612522  492.7870       9.225043  455.1435       9.225043  221.9499 2.078182  213.3012 2.162445  8.648682       2.999168  
1 1 1 22 17 10 o 163.7473 1.588356  270.0898       3.640462  314.5378       7.280923  225.6419       7.280923  177.3194 2.053053  150.1752 2.424143  27.14423       3.176711  
1 1 1 22 17 11 o 101.7612 1.791756  103.6340       2.577866  106.3930       5.155732  100.8751       5.155732  103.1168 2.499949  100.4056 2.567453  2.711182       3.583512  
1 1 1 22 17 12 o 173.6568 1.651760  302.0820       4.050251  321.4470       8.100503  282.7171       8.100503  179.2324 2.259776  168.0811 2.409700  11.15129       3.303520  
1 1 1 22 17 13 o 128.6219 2.063807  166.1842       3.735762  147.3148       7.471523  185.0536       7.471523  121.2867 3.080109  135.9571 2.747750  -14.67044      4.127614  
1 1 1 22 17 14 o 185.7691 1.826520  345.5723       4.798357  349.4271       9.596713  341.7173       9.596713  186.8066 2.568622  184.7315 2.597476  2.075104       3.653040  
1 1 1 22 17 15 o 95.72379 2.792571  92.41721       3.754822  80.09016       7.509643  104.7443       7.509643  89.28491 4.205438  102.1627 3.675337  -12.87775      5.585142  
1 1 1 22 17 16 o 137.4288 2.398216  189.6328       4.660172  193.7926       9.320344  185.4729       9.320344  138.9423 3.354035  135.9153 3.428731  3.026932       4.796431  
1 1 1 22 17 17 o 71.93733 4.317480  52.79622       4.350447  61.06826       8.700893  44.52418       8.700893  77.68681 5.599981  66.18786 6.572878  11.49895       8.634959  
1 1 1 22 17 18 o 35.11012 7.634109  11.25017       4.865067  -0.3812002E-01 9.730133  22.53846       9.730133  24.88527 10.73393  45.33497 10.85823  -20.44969      15.26822  
1 1 1 22 17 19 o 76.52148 5.807415  62.47871       5.989607  83.38754       11.97921  41.56988       11.97921  90.18354 6.641575  62.85941 9.528577  27.32413       11.61483  
1 1 1 22 17 20 o 81.65395 5.876612  71.18913       6.628118  87.87617       13.25624  54.50209       13.25624  91.87209 7.214506  71.43581 9.278425  20.43629       11.75322  
1 1 1 22 17 21 o 86.33836 6.232874  81.34811       7.419108  61.95455       14.83822  100.7417       14.83822  75.10723 9.878020  97.56950 7.603920  -22.46227      12.46575  
1 1 1 22 18 0  o 112.9129 2.835632  127.7592       6.394632  127.7592       6.394632  127.7592       6.394632  112.9129 2.835632  112.9129 2.835632  0.000000       0.000000  
1 1 1 22 18 1  o 162.7508 1.374755  266.0062       3.144901  299.8235       6.289802  232.1890       6.289802  173.1401 1.816391  152.3615 2.064104  20.77853       2.749510  
1 1 1 22 18 2  o 352.5519 2.082951  1243.656       10.38294  1213.351       20.76588  1273.961       20.76588  348.2539 2.981428  356.8500 2.909609  -8.596039      4.165902  
1 1 1 22 18 3  o 153.4801 1.303698  236.6252       2.811351  267.6597       5.622702  205.5908       5.622702  163.5903 1.718531  143.3698 1.960909  20.22052       2.607396  
1 1 1 22 18 4  o 301.1240 1.805516  907.3182       7.685949  878.5329       15.37190  936.1037       15.37190  296.3443 2.593587  305.9036 2.512539  -9.559326      3.611032  
1 1 1 22 18 5  o 82.98810 1.610666  68.97340       1.886941  73.73364       3.773881  64.21317       3.773881  85.85612 2.197794  80.12008 2.355141  5.736046       3.221333  
1 1 1 22 18 6  o 271.9193 1.788028  739.7237       6.875898  739.8904       13.75180  739.5569       13.75180  271.9500 2.528368  271.8887 2.528939  0.6130981E-01  3.576056  
1 1 1 22 18 7  o 262.2197 1.826392  688.3760       6.766303  653.3390       13.53261  723.4131       13.53261  255.5388 2.647857  268.9005 2.516285  -13.36174      3.652785  
1 1 1 22 18 8  o 183.9045 1.502841  338.4057       3.907302  328.3658       7.814603  348.4456       7.814603  181.1749 2.156646  186.6342 2.093562  -5.459274      3.005682  
1 1 1 22 18 9  o 200.4281 1.494472  402.1566       4.231322  424.0852       8.462644  380.2281       8.462644  205.8986 2.055052  194.9577 2.170379  10.94086       2.988944  
1 1 1 22 18 10 o 382.9758 2.222784  1468.316       12.03640  1502.234       24.07279  1434.399       24.07279  387.4039 3.106937  378.5476 3.179625  8.856262       4.445568  
1 1 1 22 18 11 o 109.2859 1.761889  119.8493       2.711286  132.6862       5.422573  107.0124       5.422573  115.1590 2.354385  103.4128 2.621808  11.74617       3.523777  
1 1 1 22 18 12 o 104.0485 2.024579  108.7421       2.963831  121.4122       5.927662  96.07197       5.927662  110.1371 2.691039  97.95992 3.025555  12.17714       4.049157  
1 1 1 22 18 13 f 30.36004 5.880966  9.387053       2.777996  4.574402       5.555993  14.19971       5.555993  23.90841 8.815872  36.81168 7.786107  -12.90327      11.76193  
1 1 1 22 18 14 o 145.4387 1.944227  211.8996       3.997837  217.5700       7.995674  206.2293       7.995674  147.3881 2.712455  143.4893 2.786156  3.898788       3.888455  
1 1 1 22 18 15 o 120.6353 2.389444  146.3094       4.064547  159.1797       8.129093  133.4391       8.129093  125.9697 3.226608  115.3009 3.525164  10.66875       4.778889  
1 1 1 22 18 16 o 52.07303 5.392293  27.69895       3.964482  25.90255       7.928963  29.49536       7.928963  50.34814 7.874137  53.79792 7.369210  -3.449776      10.78459  
1 1 1 22 18 17 o 48.53410 6.764120  26.41241       4.717352  8.395933       9.434704  44.42888       9.434704  31.09578 11.48406  65.97242 7.150491  -34.87664      13.52824  
1 1 1 22 18 18 o 42.43409 7.004349  18.52633       5.036607  35.77563       10.07321  1.277020       10.07321  58.76014 8.571468  26.10804 11.08032  32.65210       14.00870  
1 1 1 22 18 19 o 58.48903 7.455221  39.16355       5.813303  58.79060       11.62661  19.53651       11.62661  75.27342 7.722915  41.70463 12.75452  33.56879       14.91044  
1 1 1 22 18 20 o 64.58244 8.166201  46.93527       7.209448  55.52180       14.41890  38.34874       14.41890  71.74368 10.04890  57.42122 12.87505  14.32246       16.33240  
1 1 1 22 18 21 o 119.8866 4.955431  151.4079       8.372108  137.4703       16.74422  165.3456       16.74422  114.0737 7.339209  125.6994 6.660420  -11.62568      9.910861  
1 1 1 22 19 0  o 272.3730 3.230485  742.3873       17.59239  742.3873       17.59239  742.3873       17.59239  272.3730 3.230485  272.3730 3.230485  0.000000       0.000000  
1 1 1 22 19 1  o 164.9008 1.242347  273.4683       2.873296  233.0562       5.746593  313.8802       5.746593  152.6474 1.882309  177.1543 1.621917  -24.50684      2.484694  
1 1 1 22 19 2  o 283.9896 1.749891  807.4676       7.018848  760.0654       14.03770  854.8699       14.03770  275.6439 2.546347  292.3354 2.400957  -16.69153      3.499783  
1 1 1 22 19 3  o 206.3779 1.446127  427.2300       4.202732  472.6501       8.405463  381.8101       8.405463  217.3820 1.933339  195.3738 2.151123  22.00816       2.892254  
1 1 1 22 19 4  o 252.6868 1.622840  641.1739       5.765652  561.6984       11.53130  720.6493       11.53130  236.9607 2.433168  268.4128 2.148054  -31.45216      3.245680  
1 1 1 22 19 5  o 222.1379 1.492612  493.6161       4.688762  499.9059       9.377523  487.3263       9.377523  223.5536 2.097377  220.7221 2.124283  2.831482       2.985225  
1 1 1 22 19 6  f 254.8644 1.656072  650.0559       5.965783  625.3207       11.93157  674.7910       11.93157  250.0118 2.386200  259.7170 2.297031  -9.705200      3.312145  
1 1 1 22 19 7  o 319.8861 2.019468  1024.018       9.134509  1004.034       18.26902  1044.002       18.26902  316.7625 2.883709  323.0098 2.827935  -6.247345      4.038936  
1 1 1 22 19 8  o 183.7020 1.588785  338.9584       4.102666  296.1068       8.205333  381.8101       8.205333  172.0386 2.384736  195.3653 2.099998  -23.32672      3.177571  
1 1 1 22 19 9  f 252.3499 1.646466  637.1427       5.875248  626.5692       11.75050  647.7162       11.75050  250.2549 2.347705  254.4449 2.309045  -4.190018      3.292933  
1 1 1 22 19 10 o 41.67746 3.841413  18.11654       2.110896  12.35089       4.221792  23.88219       4.221792  34.53023 6.350896  48.82470 4.323418  -14.29447      7.682827  
1 1 1 22 19 11 o 155.8617 1.565354  243.0866       3.449862  247.9421       6.899723  238.2310       6.899723  157.4193 2.191511  154.3040 2.235756  3.115280       3.130707  
1 1 1 22 19 12 o 287.3918 1.896082  827.1471       7.700243  789.3035       15.40049  864.9908       15.40049  280.8078 2.742176  293.9757 2.619347  -13.16797      3.792164  
1 1 1 22 19 13 o 127.8150 1.822357  163.9160       3.283086  179.3166       6.566173  148.5156       6.566173  133.8395 2.453003  121.7905 2.695685  12.04903       3.644714  
1 1 1 22 19 14 o 41.90178 5.925226  18.89323       3.449862  28.13257       6.899723  9.653894       6.899723  52.79984 6.533848  31.00372 9.886456  21.79612       11.85045  
1 1 1 22 19 15 o 30.61055 7.121783  9.286989       3.578516  10.37817       7.157033  8.195804       7.157033  31.86049 10.05992  29.36062 10.08351  2.499863       14.24357  
1 1 1 22 19 16 o 165.0748 2.287778  273.6731       5.336802  285.9096       10.67360  261.4366       10.67360  168.7811 3.161967  161.3684 3.307217  7.412720       4.575556  
1 1 1 22 19 17 o 205.0002 2.298275  422.3888       6.661473  432.8528       13.32295  411.9249       13.32295  207.5524 3.209538  202.4480 3.290462  5.104355       4.596550  
1 1 1 22 19 18 o 62.31466 6.332355  40.48822       5.565523  43.77131       11.13105  37.20514       11.13105  64.94894 8.569074  59.68037 9.325549  5.268562       12.66471  
1 1 1 22 19 19 o 83.71153 5.252224  72.69011       6.208797  68.31107       12.41759  77.06915       12.41759  81.09599 7.656110  86.32709 7.192178  -5.231102      10.50445  
1 1 1 22 19 20 o 30.09886 9.055084  3.592812       6.756773  3.688112       13.51355  3.497512       13.51355  30.15071 12.81619  30.04700 12.79545  0.1037140      18.11017  
1 1 1 22 19 21 o 27.85714 12.81889  -5.927662      16.52503  -5.927662      16.52503  ?              ?         27.85714 12.81889  ?        ?         ?              ?         
1 1 1 22 20 0  o 79.78302 3.786853  64.10833       6.013433  64.10833       6.013433  64.10833       6.013433  79.78302 3.786853  79.78302 3.786853  0.000000       0.000000  
1 1 1 22 20 1  o 319.5526 1.881332  1022.036       8.495998  977.5972       16.99200  1066.474       16.99200  312.5994 2.717855  326.5058 2.602097  -13.90646      3.762665  
1 1 1 22 20 2  o 76.46767 1.730785  58.87160       1.853586  68.28248       3.707171  49.46072       3.707171  82.62117 2.243476  70.31417 2.636148  12.30700       3.461569  
1 1 1 22 20 3  o 427.1947 2.400172  1827.049       14.49037  1748.260       28.98074  1905.839       28.98074  417.9730 3.466820  436.4164 3.320308  -18.44342      4.800343  
1 1 1 22 20 4  o 318.5567 1.885192  1015.770       8.486469  1061.471       16.97294  970.0685       16.97294  325.7299 2.605370  311.3835 2.725407  14.34634       3.770384  
1 1 1 22 20 5  o 189.6602 1.444318  359.8196       3.873947  360.2055       7.747893  359.4336       7.747893  189.7619 2.041478  189.5584 2.043669  0.2035065      2.888636  
1 1 1 22 20 6  o 313.8673 1.951635  985.6978       8.662774  981.6571       17.32555  989.7385       17.32555  313.2236 2.765683  314.5110 2.754362  -1.287415      3.903270  
1 1 1 22 20 7  o 69.38190 1.996029  48.48389       1.939356  56.27467       3.878712  40.69312       3.878712  74.99632 2.585935  63.76748 3.041293  11.22883       3.992057  
1 1 1 22 20 8  o 277.4228 1.752907  770.1148       6.875898  752.3748       13.75180  787.8549       13.75180  274.2255 2.507388  280.6201 2.450251  -6.394592      3.505813  
1 1 1 22 20 9  o 96.99727 1.825767  95.17615       2.463506  114.8937       4.927012  75.45856       4.927012  107.1613 2.298877  86.83329 2.837053  20.32796       3.651535  
1 1 1 22 20 10 f 99.35712 1.858356  99.74580       2.573101  80.21404       5.146202  119.2775       5.146202  89.52805 2.874073  109.1862 2.356618  -19.65812      3.716711  
1 1 1 22 20 11 o 170.9832 1.607888  293.2478       3.873947  321.9521       7.747893  264.5434       7.747893  179.3771 2.159666  162.5893 2.382658  16.78784       3.215777  
1 1 1 22 20 12 o 124.7608 1.767367  156.0252       3.111546  144.1794       6.223093  167.8710       6.223093  120.0134 2.592666  129.5082 2.402587  -9.494812      3.534734  
1 1 1 22 20 13 o 83.93076 2.578627  71.45597       3.006716  86.78975       6.013433  56.12219       6.013433  93.06554 3.230751  74.79598 4.019890  18.26956       5.157254  
1 1 1 22 20 14 o 67.95449 3.560989  46.60172       3.406976  51.63356       6.813953  41.56988       6.813953  71.65685 4.754572  64.25213 5.302512  7.404724       7.121979  
1 1 1 22 20 15 o 88.39707 3.535898  80.74772       4.250381  105.9546       8.500763  55.54086       8.500763  102.6548 4.140460  74.13932 5.732965  28.51550       7.071796  
1 1 1 22 20 16 o 40.61620 6.646338  16.75375       4.541047  1.095950       9.082094  32.41154       9.082094  24.99151 10.55941  56.24088 8.074282  -31.24937      13.29268  
1 1 1 22 20 17 o 39.32765 7.956821  16.91099       4.650642  17.11589       9.301284  16.70610       9.301284  39.54617 11.23247  39.10913 11.27278  0.4370461      15.91364  
1 1 1 22 20 18 o 88.49902 4.496372  79.99486       5.627467  80.31887       11.25493  79.67083       11.25493  88.68209 6.345664  88.31596 6.371971  0.3661270      8.992744  
1 1 1 22 20 19 o 105.4468 4.384063  114.1790       6.523287  105.6496       13.04657  122.7083       13.04657  101.4024 6.433070  109.4912 5.957821  -8.088768      8.768126  
1 1 1 22 20 20 o 24.90002 8.185796  -10.87373      7.180858  -20.03207      14.36172  -1.715401      14.36172  21.76668 10.55258  28.03336 12.51687  -6.266682      16.37159  
1 1 1 22 20 21 o 32.74299 13.64934  8.414993       14.84775  8.414993       14.84775  ?              ?         32.74299 13.64934  ?        ?         ?              ?         
1 1 1 22 21 0  o 278.0030 3.333112  773.4456       18.52633  773.4456       18.52633  773.4456       18.52633  278.0030 3.333112  278.0030 3.333112  0.000000       0.000000  
1 1 1 22 21 1  o 260.0995 1.686528  677.0687       6.199268  647.6591       12.39854  706.4783       12.39854  254.4460 2.436378  265.7531 2.332717  -11.30705      3.373057  
1 1 1 22 21 2  o 82.87564 1.618611  68.72086       1.896471  66.71956       3.792941  70.72216       3.792941  81.66823 2.322165  84.08305 2.255473  -2.414818      3.237222  
1 1 1 22 21 3  o 106.1281 1.607964  113.1879       2.396796  97.93031       4.793592  128.4454       4.793592  98.93987 2.422477  113.3164 2.115136  -14.37654      3.215928  
1 1 1 22 21 4  o 57.28707 2.423680  33.11676       1.939356  39.08254       3.878712  27.15098       3.878712  62.49399 3.103268  52.08015 3.723791  10.41384       4.847359  
1 1 1 22 21 5  o 65.08409 2.238220  42.67536       2.039421  49.62273       4.078841  35.72798       4.078841  70.42133 2.896028  59.74686 3.413436  10.67447       4.476440  
1 1 1 22 21 6  f 191.9717 1.441565  369.3544       3.902537  401.4991       7.805074  337.2097       7.805074  200.3440 1.947918  183.5995 2.125571  16.74451       2.883130  
1 1 1 22 21 7  o 173.7979 1.418609  302.3585       3.483216  318.0924       6.966432  286.6244       6.966432  178.3245 1.953302  169.2714 2.057770  9.053055       2.837218  
1 1 1 22 21 8  o 209.7427 1.542916  440.2433       4.574402  424.4568       9.148804  456.0298       9.148804  205.9794 2.220805  213.5060 2.142517  -7.526566      3.085831  
1 1 1 22 21 9  f 171.3557 1.549828  293.8148       3.754822  286.2718       7.509643  301.3578       7.509643  169.1547 2.219757  173.5566 2.163456  -4.401962      3.099655  
1 1 1 22 21 10 o 248.3742 1.736017  618.4877       6.080142  672.7802       12.16028  564.1953       12.16028  259.3038 2.344795  237.4447 2.560657  21.85913       3.472035  
1 1 1 22 21 11 o 206.3042 1.609214  426.2676       4.688762  400.8987       9.377523  451.6364       9.377523  200.1558 2.342556  212.4527 2.206968  -12.29681      3.218427  
1 1 1 22 21 12 o 77.87634 2.519004  60.78713       2.773231  62.70742       5.546463  58.86684       5.546463  79.10926 3.505571  76.64343 3.618355  2.465828       5.038007  
1 1 1 22 21 13 o 122.6698 2.043667  150.7504       3.545162  152.6802       7.090323  148.8205       7.090323  123.4564 2.871590  121.8832 2.908654  1.573189       4.087334  
1 1 1 22 21 14 o 84.66204 3.060381  72.93312       3.597576  57.09425       7.195153  88.77198       7.195153  75.30787 4.777159  94.01621 3.826549  -18.70834      6.120762  
1 1 1 22 21 15 o 112.4344 2.772996  127.3971       4.393332  114.9890       8.786663  139.8052       8.786663  106.9165 4.109123  117.9524 3.724666  -11.03582      5.545992  
1 1 1 22 21 16 o 60.19264 5.241438  37.17178       4.426687  31.91599       8.853374  42.42758       8.853374  55.82683 7.929318  64.55846 6.856866  -8.731628      10.48288  
1 1 1 22 21 17 o 37.37500 8.033978  14.21400       5.041372  22.88154       10.08274  5.546463       10.08274  45.61253 11.13452  29.13747 11.58454  16.47505       16.06796  
1 1 1 22 21 18 o 89.46422 4.551785  82.13434       5.732297  73.22855       11.46459  91.04012       11.46459  84.48692 6.784834  94.44151 6.069681  -9.954582      9.103570  
1 1 1 22 21 19 o 48.54541 9.191520  27.52265       6.437518  26.48388       12.87504  28.56142       12.87504  47.59007 13.11405  49.50076 12.88246  -1.910686      18.38304  
1 1 1 22 21 20 o 112.7377 4.810756  132.7529       7.652593  122.8513       15.30519  142.6546       15.30519  108.3462 7.063094  117.1291 6.533468  -8.782936      9.621512  
1 1 1 22 21 21 o 61.56982 9.375227  49.53219       8.119563  60.53459       16.23913  38.52980       16.23913  70.78796 11.47026  52.35169 14.83282  18.43628       18.75045  
1 1 1 22 22 0  o 70.07265 5.894480  50.16594       8.148153  50.16594       8.148153  50.16594       8.148153  70.07265 5.894480  70.07265 5.894480  0.000000       0.000000  
1 1 1 22 22 1  o 205.0653 2.854682  420.8831       11.70285  420.8831       11.70285  420.8831       11.70285  205.0653 2.854682  205.0653 2.854682  0.000000       0.000000  
1 1 1 22 22 2  o 160.3488 2.750582  257.4149       8.815253  257.4149       8.815253  257.4149       8.815253  160.3488 2.750582  160.3488 2.750582  0.000000       0.000000  
1 1 1 22 22 3  o 54.60432 5.137135  30.62943       5.517872  30.62943       5.517872  30.62943       5.517872  54.60432 5.137135  54.60432 5.137135  0.000000       0.000000  
1 1 1 22 22 4  o 107.7429 3.203762  116.4376       6.890193  116.4376       6.890193  116.4376       6.890193  107.7429 3.203762  107.7429 3.203762  0.000000       0.000000  
1 1 1 22 22 5  o 120.6824 3.480968  146.0759       8.386403  146.0759       8.386403  146.0759       8.386403  120.6824 3.480968  120.6824 3.480968  0.000000       0.000000  
1 1 1 22 22 6  o 63.02447 5.053446  40.52158       6.289802  40.52158       6.289802  40.52158       6.289802  63.02447 5.053446  63.02447 5.053446  0.000000       0.000000  
1 1 1 22 22 7  o 33.11263 10.11926  13.66603       5.841892  13.66603       5.841892  13.66603       5.841892  33.11263 10.11926  33.11263 10.11926  0.000000       0.000000  
1 1 1 22 22 8  o 156.0250 3.182164  243.8633       9.920734  243.8633       9.920734  243.8633       9.920734  156.0250 3.182164  156.0250 3.182164  0.000000       0.000000  
1 1 1 22 22 9  o 127.7102 3.445630  163.5444       8.786663  163.5444       8.786663  163.5444       8.786663  127.7102 3.445630  127.7102 3.445630  0.000000       0.000000  
1 1 1 22 22 10 f 186.8434 3.394353  349.7035       12.67490  349.7035       12.67490  349.7035       12.67490  186.8434 3.394353  186.8434 3.394353  0.000000       0.000000  
1 1 1 22 22 11 o 200.7049 3.261611  403.4527       13.08470  403.4527       13.08470  403.4527       13.08470  200.7049 3.261611  200.7049 3.261611  0.000000       0.000000  
1 1 1 22 22 12 o 141.8392 3.758335  201.8645       10.64501  201.8645       10.64501  201.8645       10.64501  141.8392 3.758335  141.8392 3.758335  0.000000       0.000000  
1 1 1 22 22 13 o 22.09208 12.43067  6.794893       8.233924  6.794893       8.233924  6.794893       8.233924  22.09208 12.43067  22.09208 12.43067  0.000000       0.000000  
1 1 1 22 22 14 o 115.3888 4.770723  134.2778       10.96903  134.2778       10.96903  134.2778       10.96903  115.3888 4.770723  115.3888 4.770723  0.000000       0.000000  
1 1 1 22 22 15 o 13.65179 9.741936  -12.60820      10.75937  -12.60820      10.75937  -12.60820      10.75937  13.65179 9.741936  13.65179 9.741936  0.000000       0.000000  
1 1 1 22 22 16 o 40.93707 17.99051  25.35934       15.29566  25.35934       15.29566  25.35934       15.29566  40.93707 17.99051  40.93707 17.99051  0.000000       0.000000  
1 1 1 22 22 17 o 122.1247 6.523982  151.9750       15.83887  151.9750       15.83887  151.9750       15.83887  122.1247 6.523982  122.1247 6.523982  0.000000       0.000000  
1 1 1 22 22 18 o 27.72606 16.68363  10.19710       16.35349  10.19710       16.35349  10.19710       16.35349  27.72606 16.68363  27.72606 16.68363  0.000000       0.000000  
1 1 1 22 22 19 o 30.39808 18.30872  13.46590       19.73664  13.46590       19.73664  13.46590       19.73664  30.39808 18.30872  30.39808 18.30872  0.000000       0.000000  
1 1 1 23 0  1  o 83.68134 2.092682  70.15989       3.497512  70.15989       3.497512  70.15989       3.497512  83.68134 2.092682  83.68134 2.092682  0.000000       0.000000  
1 1 1 23 0  2  o 92.28232 2.078073  85.29353       3.831062  85.29353       3.831062  85.29353       3.831062  92.28232 2.078073  92.28232 2.078073  0.000000       0.000000  
1 1 1 23 0  3  o 103.9744 2.602096  108.3180       5.403512  108.3180       5.403512  108.3180       5.403512  103.9744 2.602096  103.9744 2.602096  0.000000       0.000000  
1 1 1 23 0  4  o 45.67197 3.991369  21.33768       3.592812  21.33768       3.592812  21.33768       3.592812  45.67197 3.991369  45.67197 3.991369  0.000000       0.000000  
1 1 1 23 0  5  o 236.2910 3.526744  558.8109       16.65845  558.8109       16.65845  558.8109       16.65845  236.2910 3.526744  236.2910 3.526744  0.000000       0.000000  
1 1 1 23 0  6  o 182.5429 3.294042  333.6073       12.01733  333.6073       12.01733  333.6073       12.01733  182.5429 3.294042  182.5429 3.294042  0.000000       0.000000  
1 1 1 23 0  7  o 292.6423 4.139285  857.2333       24.21574  857.2333       24.21574  857.2333       24.21574  292.6423 4.139285  292.6423 4.139285  0.000000       0.000000  
1 1 1 23 0  8  o 272.9598 3.683139  745.7228       20.09878  745.7228       20.09878  745.7228       20.09878  272.9598 3.683139  272.9598 3.683139  0.000000       0.000000  
1 1 1 23 0  9  o 635.9182 7.315443  4051.633       93.01284  4051.633       93.01284  4051.633       93.01284  635.9182 7.315443  635.9182 7.315443  0.000000       0.000000  
1 1 1 23 0  10 o 94.98196 2.492105  90.42068       4.726882  90.42068       4.726882  90.42068       4.726882  94.98196 2.492105  94.98196 2.492105  0.000000       0.000000  
1 1 1 23 0  11 o 25.24158 8.927459  8.395933       4.088372  8.395933       4.088372  8.395933       4.088372  25.24158 8.927459  25.24158 8.927459  0.000000       0.000000  
1 1 1 23 0  12 o 78.45712 3.636475  61.98315       5.679882  61.98315       5.679882  61.98315       5.679882  78.45712 3.636475  78.45712 3.636475  0.000000       0.000000  
1 1 1 23 0  13 o 183.0129 2.904698  335.3322       10.62595  335.3322       10.62595  335.3322       10.62595  183.0129 2.904698  183.0129 2.904698  0.000000       0.000000  
1 1 1 23 0  14 o 101.6085 3.942766  103.8008       7.986144  103.8008       7.986144  103.8008       7.986144  101.6085 3.942766  101.6085 3.942766  0.000000       0.000000  
1 1 1 23 0  15 o 24.36226 12.24100  8.872433       7.261863  8.872433       7.261863  8.872433       7.261863  24.36226 12.24100  24.36226 12.24100  0.000000       0.000000  
1 1 1 23 0  16 o 32.83341 13.56437  15.34331       8.796194  15.34331       8.796194  15.34331       8.796194  32.83341 13.56437  32.83341 13.56437  0.000000       0.000000  
1 1 1 23 0  17 o 84.20846 5.927128  72.32320       9.882613  72.32320       9.882613  72.32320       9.882613  84.20846 5.927128  84.20846 5.927128  0.000000       0.000000  
1 1 1 23 0  18 o 23.28485 14.36238  5.241503       12.77974  5.241503       12.77974  5.241503       12.77974  23.28485 14.36238  23.28485 14.36238  0.000000       0.000000  
1 1 1 23 0  19 o 83.35598 7.721002  72.17072       12.66537  72.17072       12.66537  72.17072       12.66537  83.35598 7.721002  83.35598 7.721002  0.000000       0.000000  
1 1 1 23 0  20 o 20.86009 14.03017  -3.907302      16.09618  -3.907302      16.09618  -3.907302      16.09618  20.86009 14.03017  20.86009 14.03017  0.000000       0.000000  
1 1 1 23 0  21 o 65.09769 15.37921  51.30954       17.37320  51.30954       17.37320  51.30954       17.37320  65.09769 15.37921  65.09769 15.37921  0.000000       0.000000  
1 1 1 23 0  22 o 31.92848 18.59251  16.77281       19.24108  16.77281       19.24108  16.77281       19.24108  31.92848 18.59251  31.92848 18.59251  0.000000       0.000000  
1 1 1 23 1  0  o 268.1558 3.679846  719.5724       19.72711  719.5724       19.72711  719.5724       19.72711  268.1558 3.679846  268.1558 3.679846  0.000000       0.000000  
1 1 1 23 1  1  o 518.6116 2.850602  2690.682       20.90406  2743.593       41.80813  2637.771       41.80813  523.7127 3.991513  513.5104 4.070817  10.20233       5.701204  
1 1 1 23 1  2  o 575.1406 3.039823  3312.491       24.68747  3523.166       49.37495  3101.816       49.37495  593.4557 4.159952  556.8256 4.433610  36.63019       6.079646  
1 1 1 23 1  3  o 643.6430 3.396125  4145.156       30.91057  4083.006       61.82113  4207.306       61.82113  638.8150 4.838736  648.4710 4.766685  -9.656006      6.792249  
1 1 1 23 1  4  o 436.9946 2.734516  1910.904       16.89193  1845.304       33.78386  1976.504       33.78386  429.4888 3.933032  444.5004 3.800206  -15.01160      5.469031  
1 1 1 23 1  5  o 116.1855 1.377536  135.9598       2.239551  113.2641       4.479102  158.6555       4.479102  106.4185 2.104475  125.9526 1.778091  -19.53402      2.755072  
1 1 1 23 1  6  o 610.0389 3.787716  3725.502       32.67362  3658.587       65.34724  3792.417       65.34724  604.5544 5.404579  615.5234 5.308267  -10.96899      7.575432  
1 1 1 23 1  7  o 283.9570 1.987085  809.3738       7.938493  714.7122       15.87699  904.0352       15.87699  267.2887 2.970007  300.6253 2.640661  -33.33658      3.974171  
1 1 1 23 1  8  o 243.5178 1.753363  594.5055       6.018198  538.5405       12.03640  650.4704       12.03640  232.0268 2.593751  255.0087 2.359997  -22.98187      3.506727  
1 1 1 23 1  9  o 208.9413 1.472621  436.7362       4.350447  447.3575       8.700893  426.1151       8.700893  211.4829 2.057115  206.3996 2.107779  5.083344       2.945242  
1 1 1 23 1  10 o 203.4651 1.347984  414.0834       3.878712  412.5729       7.757423  415.5939       7.757423  203.0939 1.909812  203.8363 1.902856  -0.7423706     2.695968  
1 1 1 23 1  11 o 47.10993 2.224924  22.21444       1.481916  21.61405       2.963831  22.81483       2.963831  46.47271 3.188787  47.74715 3.103673  -1.274445      4.449849  
1 1 1 23 1  12 o 154.7406 1.349429  241.2568       2.920946  282.1072       5.841892  200.4064       5.841892  167.9403 1.739277  141.5410 2.063675  26.39925       2.698858  
1 1 1 23 1  13 f 313.8903 1.955150  986.1792       8.677070  961.7585       17.35414  1010.600       17.35414  310.0003 2.799052  317.7803 2.730524  -7.779999      3.910301  
1 1 1 23 1  14 o 192.9672 1.569603  372.8328       4.278972  392.3788       8.557944  353.2868       8.557944  198.0318 2.160750  187.9026 2.277229  10.12920       3.139206  
1 1 1 23 1  15 o 148.2742 1.819294  220.1812       3.812001  230.0829       7.624003  210.2795       7.624003  151.6132 2.514295  144.9352 2.630142  6.677948       3.638588  
1 1 1 23 1  16 o 195.3294 1.702425  382.2342       4.698292  363.0741       9.396584  401.3943       9.396584  190.4249 2.467268  200.2340 2.346401  -9.809097      3.404850  
1 1 1 23 1  17 o 80.42934 3.646435  65.22335       4.145552  67.57726       8.291104  62.86944       8.291104  81.89268 5.062176  78.96600 5.249793  2.926682       7.292870  
1 1 1 23 1  18 o 116.7795 2.591777  137.1510       4.274207  145.5899       8.548413  128.7122       8.548413  120.3927 3.550222  113.1664 3.776923  7.226295       5.183554  
1 1 1 23 1  19 o 45.24318 7.215385  22.26209       4.888892  9.711073       9.777783  34.81310       9.777783  32.41858 11.72019  58.06778 8.419285  -25.64921      14.43077  
1 1 1 23 1  20 o 83.69547 4.456606  71.49409       5.274857  72.05635       10.54971  70.93182       10.54971  84.03136 6.277248  83.35957 6.327837  0.6717987      8.913213  
1 1 1 23 1  21 o 145.3371 3.368927  214.4060       6.923548  218.2657       13.84710  210.5464       13.84710  146.6649 4.720656  144.0093 4.807709  2.655655       6.737853  
1 1 1 23 1  22 o 34.74517 9.356437  11.64566       6.456578  8.100503       12.91316  15.19082       12.91316  32.19005 12.98918  37.30029 13.47045  -5.110237      18.71287  
1 1 1 23 2  0  o 51.74142 2.854705  27.01756       2.935241  27.01756       2.935241  27.01756       2.935241  51.74142 2.854705  51.74142 2.854705  0.000000       0.000000  
1 1 1 23 2  1  o 412.9935 2.259908  1705.994       13.19905  1695.540       26.39811  1716.449       26.39811  411.7278 3.205772  414.2592 3.186182  -2.531403      4.519816  
1 1 1 23 2  2  o 194.1738 1.209286  377.3834       3.316442  399.5359       6.632883  355.2309       6.632883  199.8781 1.659232  188.4695 1.759670  11.40860       2.418571  
1 1 1 23 2  3  o 228.0123 1.407561  521.9584       4.512457  586.7051       9.024914  457.2115       9.024914  242.2104 1.863032  213.8142 2.110457  28.39624       2.815123  
1 1 1 23 2  4  o 354.6353 2.208936  1261.925       11.02621  1403.112       22.05243  1120.738       22.05243  374.5412 2.943926  334.7293 3.294069  39.81189       4.417871  
1 1 1 23 2  5  o 358.6380 2.469449  1287.180       12.51766  1337.384       25.03532  1236.975       25.03532  365.6372 3.423519  351.6387 3.559807  13.99854       4.938898  
1 1 1 23 2  6  o 263.6067 2.126184  695.5093       7.919433  662.0208       15.83887  728.9976       15.83887  257.2548 3.078440  269.9587 2.933573  -12.70392      4.252369  
1 1 1 23 2  7  o 113.3681 1.514443  128.8123       2.420621  140.4341       4.841242  117.1905       4.841242  118.4938 2.042825  108.2424 2.236296  10.25142       3.028886  
1 1 1 23 2  8  o 218.3186 1.585000  476.7479       4.893657  478.1679       9.787313  475.3280       9.787313  218.6438 2.238188  217.9934 2.244865  0.6503906      3.170000  
1 1 1 23 2  9  o 326.0883 2.023814  1064.068       9.329873  1032.319       18.65975  1095.817       18.65975  321.2202 2.904511  330.9565 2.819063  -9.736389      4.047629  
1 1 1 23 2  10 o 300.7465 1.771491  905.3361       7.528703  864.3523       15.05741  946.3199       15.05741  293.9329 2.561368  307.5602 2.447880  -13.62735      3.542982  
1 1 1 23 2  11 o 245.7562 1.574441  604.6740       5.465457  570.5709       10.93091  638.7772       10.93091  238.8178 2.288547  252.6946 2.162870  -13.87679      3.148881  
1 1 1 23 2  12 o 218.3860 1.521146  477.4008       4.693527  453.4376       9.387053  501.3640       9.387053  212.8996 2.204573  223.8724 2.096519  -10.97284      3.042291  
1 1 1 23 2  13 o 180.9833 1.484097  327.7416       3.797706  335.6182       7.595412  319.8651       7.595412  183.1593 2.073444  178.8072 2.123911  4.352081       2.968193  
1 1 1 23 2  14 o 133.8120 1.721320  179.2880       3.254497  170.5490       6.508993  188.0270       6.508993  130.5466 2.492977  137.0774 2.374203  -6.530823      3.442641  
1 1 1 23 2  15 o 213.4102 1.758104  456.0155       5.303447  472.6215       10.60689  439.4094       10.60689  217.3009 2.440601  209.5196 2.531242  7.781281       3.516208  
1 1 1 23 2  16 o 124.1575 2.288559  154.7673       4.007367  167.9473       8.014733  141.5873       8.014733  129.4653 3.095322  118.8497 3.371793  10.61555       4.577117  
1 1 1 23 2  17 o 54.33876 4.892617  29.95280       3.759587  29.58113       7.519173  30.32448       7.519173  53.99677 6.962615  54.68075 6.875521  -0.6839867     9.785233  
1 1 1 23 2  18 o 63.25486 4.633918  40.70741       4.131257  36.90017       8.262513  44.51465       8.262513  60.24542 6.857378  66.26431 6.234513  -6.018883      9.267837  
1 1 1 23 2  19 o 82.78535 4.206806  69.68339       4.922247  72.40897       9.844495  66.95781       9.844495  84.43153 5.829869  81.13918 6.066425  3.292351       8.413612  
1 1 1 23 2  20 o 82.33046 4.891470  69.47849       5.694177  71.01759       11.38835  67.93940       11.38835  83.26517 6.838607  81.39575 6.995669  1.869415       9.782941  
1 1 1 23 2  21 o 35.79058 9.085951  11.48842       6.285037  20.45139       12.57007  2.525451       12.57007  42.48375 13.31694  29.09741 12.36435  13.38634       18.17190  
1 1 1 23 2  22 o 36.99809 9.542974  9.663424       7.705008  -8.834313      15.41002  28.16116       15.41002  26.19071 12.17692  47.80547 14.69680  -21.61476      19.08595  
1 1 1 23 2  23 o 67.42469 9.177615  57.01325       8.438819  57.26580       16.87764  56.76070       16.87764  67.61523 12.94220  67.23415 13.01591  0.3810883      18.35523  
1 1 1 23 3  0  o 92.35097 1.900551  85.39836       3.507041  85.39836       3.507041  85.39836       3.507041  92.35097 1.900551  92.35097 1.900551  0.000000       0.000000  
1 1 1 23 3  1  o 273.3907 1.582629  747.5573       6.118262  734.4965       12.23652  760.6182       12.23652  271.0020 2.257645  275.7793 2.218535  -4.777344      3.165258  
1 1 1 23 3  2  o 276.1274 1.655828  762.9244       6.461343  729.2931       12.92269  796.5558       12.92269  270.0375 2.392757  282.2172 2.289493  -12.17969      3.311656  
1 1 1 23 3  3  o 354.6776 2.010643  1260.381       10.05892  1365.259       20.11784  1155.503       20.11784  369.4626 2.722582  339.8927 2.959440  29.56985       4.021285  
1 1 1 23 3  4  o 472.8305 2.908502  2237.945       19.43168  2130.022       38.86335  2345.868       38.86335  461.4182 4.211295  484.2429 4.012795  -22.82477      5.817004  
1 1 1 23 3  5  o 295.8871 2.082939  875.7834       8.715188  861.9412       17.43038  889.6258       17.43038  293.5479 2.968915  298.2262 2.922342  -4.678284      4.165877  
1 1 1 23 3  6  o 45.98634 2.735289  21.17090       1.777346  20.15596       3.554691  22.18585       3.554691  44.88280 3.959970  47.08986 3.774370  -2.207058      5.470579  
1 1 1 23 3  7  o 304.3265 1.874689  926.8977       8.062383  967.9910       16.12477  885.8044       16.12477  311.0781 2.591756  297.5750 2.709362  13.50305       3.749378  
1 1 1 23 3  8  o 280.3679 1.846753  788.2695       7.295218  710.0425       14.59044  866.4965       14.59044  266.4171 2.738270  294.3186 2.478681  -27.90158      3.693505  
1 1 1 23 3  9  o 333.3499 2.018381  1112.442       9.506179  1168.369       19.01236  1056.515       19.01236  341.7385 2.781711  324.9613 2.925326  16.77722       4.036763  
1 1 1 23 3  10 o 87.50671 1.290264  76.60694       1.596275  74.46745       3.192551  78.74641       3.192551  86.28425 1.850020  88.72919 1.799042  -2.444939      2.580528  
1 1 1 23 3  11 o 251.8695 1.676456  635.0651       5.965783  603.0301       11.93157  667.1003       11.93157  245.5101 2.429954  258.2290 2.310268  -12.71893      3.352912  
1 1 1 23 3  12 o 116.0326 1.462187  134.7781       2.396796  141.9875       4.793592  127.5686       4.793592  119.1393 2.011760  112.9260 2.122449  6.213295       2.924375  
1 1 1 23 3  13 o 224.8957 1.550650  506.0289       4.931777  509.2167       9.863553  502.8411       9.863553  225.6044 2.186029  224.1870 2.199850  1.417465       3.101300  
1 1 1 23 3  14 o 289.6702 2.023410  840.0936       8.286338  815.4824       16.57268  864.7050       16.57268  285.4220 2.903188  293.9183 2.819266  -8.496307      4.046821  
1 1 1 23 3  15 o 245.6507 1.907731  606.3894       6.589998  680.6043       13.18000  532.1745       13.18000  260.7565 2.527261  230.5449 2.858444  30.21153       3.815462  
1 1 1 23 3  16 f 237.8983 1.974335  566.8828       6.642413  565.3579       13.28483  568.4075       13.28483  237.5778 2.795889  238.2188 2.788367  -0.6409607     3.948669  
1 1 1 23 3  17 o 47.85078 4.801709  23.30086       3.230671  26.14080       6.461343  20.46092       6.461343  50.81828 6.357303  44.88328 7.197940  5.934998       9.603417  
1 1 1 23 3  18 o 120.6802 2.560287  146.5286       4.359977  157.6834       8.719954  135.3737       8.719954  125.3019 3.479578  116.0586 3.756704  9.243324       5.120575  
1 1 1 23 3  19 o 94.13556 3.703388  89.85364       4.922247  84.02605       9.844495  95.68124       9.844495  91.04023 5.406672  97.23088 5.062432  -6.190651      7.406776  
1 1 1 23 3  20 o 30.99292 8.602580  6.980727       5.522637  8.176744       11.04527  5.784712       11.04527  31.87259 12.26090  30.11326 12.07012  1.759329       17.20516  
1 1 1 23 3  21 o 101.8139 4.092078  106.0403       5.884778  111.9871       11.76956  100.0936       11.76956  104.7343 5.618767  98.89355 5.950618  5.840767       8.184155  
1 1 1 23 3  22 o 43.24605 9.352209  20.04160       7.385753  2.230021       14.77151  37.85318       14.77151  30.22825 13.13424  56.26385 13.31717  -26.03560      18.70442  
1 1 1 23 3  23 o 36.71183 14.28978  16.49644       15.09553  16.49644       15.09553  ?              ?         36.71183 14.28978  ?        ?         ?              ?         
1 1 1 23 4  0  o 57.96927 2.301216  33.76480       2.658871  33.76480       2.658871  33.76480       2.658871  57.96927 2.301216  57.96927 2.301216  0.000000       0.000000  
1 1 1 23 4  1  o 466.4234 2.554569  2178.692       16.82046  2028.614       33.64091  2328.771       33.64091  450.3352 3.735097  482.5117 3.486021  -32.17645      5.109138  
1 1 1 23 4  2  o 389.1043 2.254894  1514.370       12.40806  1520.874       24.81613  1507.866       24.81613  389.9401 3.182044  388.2685 3.195743  1.671600       4.509787  
1 1 1 23 4  3  o 385.8442 2.193443  1489.420       11.96492  1533.616       23.92984  1445.225       23.92984  391.5713 3.055617  380.1171 3.147693  11.45422       4.386886  
1 1 1 23 4  4  o 525.5742 3.154167  2764.121       23.43904  2830.420       46.87809  2697.820       46.87809  531.8816 4.406816  519.2668 4.513874  12.61481       6.308335  
1 1 1 23 4  5  o 115.5079 1.159501  133.7679       1.886941  147.1528       3.773881  120.3830       3.773881  121.3018 1.555575  109.7140 1.719873  11.58785       2.319003  
1 1 1 23 4  6  o 117.3918 1.325268  139.5764       2.158546  170.6443       4.317091  108.5086       4.317091  130.6243 1.652484  104.1593 2.072351  26.46507       2.650537  
1 1 1 23 4  7  o 130.8119 1.272854  171.1827       2.353911  176.3909       4.707822  165.9745       4.707822  132.8026 1.772489  128.8212 1.827270  3.981400       2.545709  
1 1 1 23 4  8  o 266.5172 1.693480  710.7095       6.380337  687.3134       12.76067  734.1057       12.76067  262.1280 2.434055  270.9064 2.355181  -8.778473      3.386960  
1 1 1 23 4  9  o 144.9255 1.272348  210.3987       2.601691  193.8593       5.203382  226.9380       5.203382  139.2194 1.868771  150.6317 1.727187  -11.41229      2.544696  
1 1 1 23 4  10 o 167.9680 1.245417  283.9751       2.930476  328.8137       5.860952  239.1364       5.860952  181.3154 1.616231  154.6206 1.895269  26.69478       2.490833  
1 1 1 23 4  11 o 178.2078 1.327356  317.6827       3.345031  313.4514       6.690063  321.9140       6.690063  177.0206 1.889628  179.3950 1.864618  -2.374374      2.654712  
1 1 1 23 4  12 o 191.1847 1.426964  365.8425       3.854887  383.2491       7.709774  348.4360       7.709774  195.7370 1.969422  186.6324 2.065497  9.104584       2.853928  
1 1 1 23 4  13 o 282.2841 1.836682  797.6375       7.328573  826.6516       14.65715  768.6234       14.65715  287.4232 2.549750  277.1449 2.644311  10.27835       3.673364  
1 1 1 23 4  14 o 176.8565 1.730780  313.1226       4.326622  301.3959       8.653244  324.8492       8.653244  173.5412 2.493138  180.1718 2.401386  -6.630600      3.461560  
1 1 1 23 4  15 o 250.6971 1.732725  629.1518       6.142087  642.9036       12.28417  615.4000       12.28417  253.4398 2.423489  247.9544 2.477103  5.485413       3.465450  
1 1 1 23 4  16 o 23.86788 6.503443  1.076890       3.564222  8.739014       7.128443  -6.585233      7.128443  30.07675 10.06558  17.65900 8.237911  12.41776       13.00689  
1 1 1 23 4  17 o 100.9731 3.000975  102.5381       4.283737  99.34076       8.567473  105.7354       8.567473  99.38982 4.310036  102.5563 4.176960  -3.166496      6.001950  
1 1 1 23 4  18 o 114.5655 3.086531  132.4385       4.984192  144.7989       9.968384  120.0780       9.968384  119.9600 4.154879  109.1711 4.565489  10.78896       6.173063  
1 1 1 23 4  19 o 73.31070 4.453533  54.77370       4.617287  54.73081       9.234573  54.81658       9.234573  73.28145 6.300758  73.33994 6.295733  -0.5849457E-01 8.907065  
1 1 1 23 4  20 o 124.7607 3.491069  160.2708       5.999137  201.5024       11.99827  119.0393       11.99827  141.2850 4.246126  108.2364 5.542623  33.04852       6.982138  
1 1 1 23 4  21 o 37.35186 9.207110  13.54690       6.375573  22.24303       12.75115  4.850772       12.75115  44.07395 13.33288  30.62977 12.70110  13.44418       18.41422  
1 1 1 23 4  22 o 33.88953 9.793561  8.862904       7.452463  9.463295       14.90493  8.262513       14.90493  34.23166 13.89676  33.54739 13.80346  0.6842766      19.58712  
1 1 1 23 4  23 o 51.37196 14.93511  37.18607       16.25819  37.18607       16.25819  ?              ?         51.37196 14.93511  ?        ?         ?              ?         
1 1 1 23 5  0  o 220.6340 2.745914  487.0594       12.11263  487.0594       12.11263  487.0594       12.11263  220.6340 2.745914  220.6340 2.745914  0.000000       0.000000  
1 1 1 23 5  1  o 382.5613 2.110800  1464.071       11.41694  1502.643       22.83389  1425.498       22.83389  387.6026 2.945528  377.5199 3.024197  10.08273       4.221600  
1 1 1 23 5  2  o 607.0620 3.237551  3687.054       27.79426  3715.339       55.58851  3658.769       55.58851  609.3917 4.560984  604.7323 4.596126  4.659363       6.475102  
1 1 1 23 5  3  o 838.9197 4.435040  7045.160       52.61039  7181.917       105.2208  6908.405       105.2208  847.0704 6.210863  830.7690 6.332733  16.30139       8.870081  
1 1 1 23 5  4  o 441.5166 2.546922  1950.630       15.89605  1884.311       31.79209  2016.949       31.79209  434.0062 3.662632  449.0270 3.540110  -15.02078      5.093844  
1 1 1 23 5  5  o 158.8888 1.232347  252.5213       2.768466  246.1981       5.536932  258.8445       5.536932  156.8989 1.764490  160.8786 1.720842  -3.979630      2.464695  
1 1 1 23 5  6  o 145.6758 1.222041  212.3332       2.515921  221.3057       5.031842  203.3607       5.031842  148.7554 1.691315  142.5961 1.764368  6.159225       2.444083  
1 1 1 23 5  7  o 365.2797 2.303486  1335.401       11.89345  1286.541       23.78689  1384.262       23.78689  358.5917 3.316710  371.9678 3.197440  -13.37613      4.606971  
1 1 1 23 5  8  o 182.8822 1.289863  334.5508       3.335501  327.6701       6.671002  341.4315       6.671002  181.0010 1.842808  184.7634 1.805283  -3.762344      2.579726  
1 1 1 23 5  9  o 159.2462 1.254098  254.4178       2.811351  226.3185       5.622702  282.5169       5.622702  150.4236 1.868956  168.0688 1.672738  -17.64514      2.508196  
1 1 1 23 5  10 o 165.3596 1.344791  273.7827       3.140136  291.0654       6.280273  256.5001       6.280273  170.5854 1.840800  160.1339 1.960945  10.45157       2.689581  
1 1 1 23 5  11 o 169.7553 1.373091  289.0307       3.283086  259.1208       6.566173  318.9406       6.566173  160.9456 2.039874  178.5650 1.838595  -17.61943      2.746182  
1 1 1 23 5  12 o 147.7635 1.387384  218.5135       2.897121  228.0721       5.794242  208.9549       5.794242  150.9979 1.918650  144.5290 2.004525  6.468842       2.774769  
1 1 1 23 5  13 o 168.1813 1.541250  284.0370       3.645226  249.4193       7.290452  318.6548       7.290452  157.8895 2.308720  178.4731 2.042452  -20.58359      3.082499  
1 1 1 23 5  14 o 99.20551 2.068610  98.53073       2.901886  96.82484       5.803772  100.2366       5.803772  98.34574 2.950698  100.0653 2.899993  -1.719528      4.137219  
1 1 1 23 5  15 o 222.8551 1.756895  497.1374       5.536932  501.7452       11.07386  492.5297       11.07386  223.8889 2.473072  221.8213 2.496123  2.067581       3.513789  
1 1 1 23 5  16 o 30.17680 6.757211  9.120214       3.249731  10.40676       6.499463  7.833663       6.499463  31.76731 9.500697  28.58628 9.611262  3.181036       13.51442  
1 1 1 23 5  17 o 47.02756 5.789358  23.50575       3.659522  30.96298       7.319043  16.04853       7.319043  55.27877 6.620121  38.77634 9.499509  16.50244       11.57872  
1 1 1 23 5  18 o 57.92781 4.968227  34.64157       3.978776  42.88502       7.957553  26.39811       7.957553  65.04309 6.117140  50.81252 7.830307  14.23057       9.936454  
1 1 1 23 5  19 o 157.9118 2.591583  251.0966       5.784712  242.0812       11.56942  260.1119       11.56942  155.0572 3.730696  160.7663 3.598212  -5.709122      5.183167  
1 1 1 23 5  20 o 94.45468 4.460372  91.10683       5.956253  88.52421       11.91251  93.68946       11.91251  93.08756 6.398548  95.82181 6.215967  -2.734245      8.920744  
1 1 1 23 5  21 o 67.06065 7.733074  49.25583       7.142738  44.83867       14.28548  53.67299       14.28548  63.28233 11.72747  70.83896 10.08306  -7.556629      15.46615  
1 1 1 23 5  22 o 28.95850 13.17993  -4.526752      16.82046  -4.526752      16.82046  ?              ?         28.95850 13.17993  ?        ?         ?              ?         
1 1 1 23 5  23 o 26.72212 12.29404  -2.182371      15.19082  -2.182371      15.19082  ?              ?         26.72212 12.29404  ?        ?         ?              ?         
1 1 1 23 6  0  o 259.9828 3.436039  676.3539       17.85923  676.3539       17.85923  676.3539       17.85923  259.9828 3.436039  259.9828 3.436039  0.000000       0.000000  
1 1 1 23 6  1  o 325.7654 1.826951  1061.542       8.414993  1036.188       16.82999  1086.897       16.82999  321.8738 2.614377  329.6569 2.552652  -7.783081      3.653902  
1 1 1 23 6  2  o 214.9354 1.392660  463.1916       4.217027  509.8456       8.434053  416.5374       8.434053  225.7885 1.867689  204.0823 2.066336  21.70613       2.785320  
1 1 1 23 6  3  o 194.4344 1.301566  380.1281       3.549927  435.7975       7.099854  324.4585       7.099854  208.7501 1.700563  180.1186 1.970883  28.63153       2.603131  
1 1 1 23 6  4  o 340.9104 1.893268  1163.494       9.115449  1233.392       18.23090  1093.597       18.23090  351.1620 2.595796  330.6588 2.756754  20.50327       3.786535  
1 1 1 23 6  5  o 293.3997 1.722341  862.0746       7.133208  801.4161       14.26642  922.7332       14.26642  283.0625 2.520012  303.7368 2.348483  -20.67435      3.444681  
1 1 1 23 6  6  o 191.5081 1.364194  366.9290       3.692876  380.2090       7.385753  353.6489       7.385753  194.9754 1.894022  188.0409 1.963869  6.934464       2.728388  
1 1 1 23 6  7  o 368.3971 2.158533  1357.792       11.24540  1344.846       22.49081  1370.739       22.49081  366.6400 3.067152  370.1543 3.038032  -3.514282      4.317066  
1 1 1 23 6  8  o 167.8043 1.327981  281.7403       3.149666  270.8141       6.299332  292.6664       6.299332  164.5486 1.914125  171.0599 1.841265  -6.511246      2.655962  
1 1 1 23 6  9  o 157.0956 1.279845  247.3131       2.835176  225.6419       5.670352  268.9843       5.670352  150.1982 1.887624  163.9931 1.728839  -13.79494      2.559689  
1 1 1 23 6  10 o 103.6975 1.490515  107.9940       2.172841  121.5552       4.345681  94.43282       4.345681  110.2364 1.971075  97.15873 2.236382  13.07764       2.981030  
1 1 1 23 6  11 o 91.31479 1.535117  83.55432       1.977476  76.74512       3.954952  90.36350       3.954952  87.58638 2.257744  95.04321 2.080607  -7.456825      3.070233  
1 1 1 23 6  12 o 122.8636 1.470032  151.7701       2.534981  173.2173       5.069962  130.3228       5.069962  131.5917 1.926399  114.1356 2.221027  17.45616       2.940063  
1 1 1 23 6  13 o 219.9236 1.563765  484.1051       4.860302  504.6899       9.720604  463.5203       9.720604  224.6036 2.163947  215.2436 2.258047  9.359970       3.127530  
1 1 1 23 6  14 o 176.1393 1.652799  310.4732       4.116962  313.4132       8.233924  307.5332       8.233924  176.9739 2.326310  175.3047 2.348460  1.669128       3.305599  
1 1 1 23 6  15 o 47.84122 4.282779  23.02449       2.897121  23.52005       5.794242  22.52893       5.794242  48.35915 5.990844  47.32330 6.121976  1.035847       8.565558  
1 1 1 23 6  16 o 45.97182 4.693211  21.33768       3.049601  22.13820       6.099203  20.53716       6.099203  46.84248 6.510333  45.10115 6.761693  1.741329       9.386422  
1 1 1 23 6  17 f 100.3211 2.858577  101.3802       4.040722  91.41180       8.081444  111.3486       8.081444  95.35289 4.237650  105.2894 3.837730  -9.936478      5.717155  
1 1 1 23 6  18 o 36.08330 7.959771  13.24194       4.698292  7.728833       9.396584  18.75505       9.396584  30.54518 11.42475  41.62142 11.08634  -11.07624      15.91954  
1 1 1 23 6  19 o 88.72042 3.916069  80.17593       4.888892  89.27708       9.777783  71.07477       9.777783  93.84954 5.209287  83.59130 5.848566  10.25824       7.832138  
1 1 1 23 6  20 o 58.56673 6.865826  37.34332       5.370157  48.79362       10.74031  25.89302       10.74031  68.74618 7.811573  48.38728 11.29325  20.35890       13.73165  
1 1 1 23 6  21 o 89.51746 5.731296  84.47872       7.161798  99.39793       14.32360  69.55950       14.32360  97.85059 7.319116  81.18432 8.821652  16.66627       11.46259  
1 1 1 23 6  22 o 38.64354 10.12004  16.26295       7.433403  20.38468       14.86681  12.14122       14.86681  41.52512 14.50659  35.76196 14.11451  5.763153       20.24007  
1 1 1 23 6  23 o 22.78071 11.06016  -15.74357      15.87699  -15.74357      15.87699  ?              ?         22.78071 11.06016  ?        ?         ?              ?         
1 1 1 23 7  0  o 1279.405 13.25084  16407.24       338.9822  16407.24       338.9822  16407.24       338.9822  1279.405 13.25084  1279.405 13.25084  0.000000       0.000000  
1 1 1 23 7  1  o 311.8607 1.878236  972.8991       8.281574  998.4967       16.56315  947.3015       16.56315  315.9647 2.621044  307.7566 2.690949  8.208038       3.756472  
1 1 1 23 7  2  o 685.9391 3.653277  4709.161       35.42779  4571.647       70.85558  4846.674       70.85558  675.9154 5.241453  695.9629 5.090471  -20.04749      7.306554  
1 1 1 23 7  3  o 199.6102 1.348990  398.5400       3.807237  408.2463       7.614474  388.8337       7.614474  202.0415 1.884384  197.1789 1.930854  4.862625       2.697981  
1 1 1 23 7  4  o 310.3242 1.771958  963.2023       7.776483  960.9865       15.55297  965.4180       15.55297  309.9672 2.508808  310.6812 2.503043  -0.7140198     3.543916  
1 1 1 23 7  5  o 238.7291 1.526340  571.2236       5.136672  623.8626       10.27334  518.5847       10.27334  249.7540 2.056693  227.7043 2.255852  22.04967       3.052680  
1 1 1 23 7  6  f 126.2431 1.256945  161.6575       2.196666  199.6440       4.393332  123.6709       4.393332  141.2881 1.554742  111.1981 1.975453  30.09003       2.513889  
1 1 1 23 7  7  o 114.0776 1.554065  130.1941       2.506391  133.9537       5.012782  126.4346       5.012782  115.7254 2.165808  112.4298 2.229294  3.295639       3.108131  
1 1 1 23 7  8  o 377.8710 2.171094  1428.924       11.59801  1472.776       23.19603  1385.072       23.19603  383.6736 3.022886  372.0685 3.117172  11.60507       4.342188  
1 1 1 23 7  9  o 166.9335 1.283187  279.2339       3.021011  255.3565       6.042023  303.1113       6.042023  159.7817 1.890712  174.0853 1.735363  -14.30357      2.566374  
1 1 1 23 7  10 o 158.9109 1.548255  252.6642       3.478451  245.6644       6.956903  259.6640       6.956903  156.7084 2.219696  161.1133 2.159009  -4.404861      3.096510  
1 1 1 23 7  11 o 99.70464 1.436587  99.45988       2.025126  102.0473       4.050251  96.87249       4.050251  101.0022 2.005032  98.40710 2.057906  2.595062       2.873175  
1 1 1 23 7  12 o 222.2389 1.531335  494.1164       4.812652  488.5461       9.625304  499.6867       9.625304  220.9857 2.177812  223.4921 2.153388  -2.506424      3.062669  
1 1 1 23 7  13 o 120.9436 1.730597  146.3856       2.959066  142.1114       5.918132  150.6598       5.918132  119.1766 2.482926  122.7106 2.411418  -3.534050      3.461194  
1 1 1 23 7  14 o 296.5154 1.946099  880.2721       8.157682  907.8663       16.31536  852.6780       16.31536  301.1685 2.708678  291.8623 2.795045  9.306152       3.892199  
1 1 1 23 7  15 o 77.23471 2.717688  59.91990       2.959066  54.44491       5.918132  65.39489       5.918132  73.69033 4.015542  80.77909 3.663159  -7.088760      5.435376  
1 1 1 23 7  16 o 93.51534 2.813504  88.77676       3.654756  107.8796       7.309513  69.67385       7.309513  103.7291 3.523366  83.30155 4.387381  20.42756       5.627008  
1 1 1 23 7  17 o 66.17685 4.526337  45.32470       4.088372  58.77154       8.176744  31.87786       8.176744  76.33662 5.355715  56.01708 7.298439  20.31955       9.052673  
1 1 1 23 7  18 o 125.2999 2.701366  157.9265       4.784062  164.1067       9.568124  151.7462       9.568124  127.7661 3.744391  122.8337 3.894746  4.932335       5.402732  
1 1 1 23 7  19 o 71.96469 4.645170  52.91535       4.726882  53.92076       9.453763  51.90993       9.453763  72.66324 6.505190  71.26615 6.632717  1.397087       9.290340  
1 1 1 23 7  20 f 103.5824 3.766635  109.2281       5.494047  120.6975       10.98809  97.75878       10.98809  109.1187 5.034927  98.04601 5.603540  11.07269       7.533270  
1 1 1 23 7  21 o 24.00274 7.960958  -12.20794      6.947372  -18.45962      13.89474  -5.956253      13.89474  21.88881 10.56548  26.11667 11.91125  -4.227859      15.92192  
1 1 1 23 7  22 o 61.29922 8.451746  43.74748       7.061733  42.53241       14.12347  44.96256       14.12347  60.29811 12.13777  62.30033 11.76446  -2.002220      16.90349  
1 1 1 23 8  0  o 185.3198 2.935423  343.7282       10.87373  343.7282       10.87373  343.7282       10.87373  185.3198 2.935423  185.3198 2.935423  0.000000       0.000000  
1 1 1 23 8  1  o 537.2076 2.916480  2887.115       22.15726  2885.437       44.31452  2888.792       44.31452  537.0515 4.125723  537.3638 4.123326  -0.3122559     5.832959  
1 1 1 23 8  2  o 168.0142 1.223800  286.7435       2.839941  215.9785       5.679882  357.5086       5.679882  146.9550 1.932524  189.0735 1.502030  -42.11847      2.447600  
1 1 1 23 8  3  o 376.2029 2.285650  1416.092       12.15552  1462.265       24.31104  1369.919       24.31104  382.3396 3.179247  370.0662 3.284688  12.27341       4.571301  
1 1 1 23 8  4  o 395.4722 2.199438  1564.703       12.29847  1601.813       24.59694  1527.593       24.59694  400.1641 3.073357  390.7804 3.147156  9.383667       4.398877  
1 1 1 23 8  5  o 508.6768 2.801474  2590.407       20.13690  2470.310       40.27380  2710.505       40.27380  496.8719 4.052734  520.4816 3.868897  -23.60968      5.602948  
1 1 1 23 8  6  o 316.6700 1.815182  1003.490       8.124328  963.8360       16.24866  1043.145       16.24866  310.4089 2.617299  322.9312 2.515808  -12.52228      3.630364  
1 1 1 23 8  7  o 477.6555 2.696548  2284.247       18.20231  2384.035       36.40462  2184.458       36.40462  488.1012 3.729208  467.2099 3.895960  20.89133       5.393096  
1 1 1 23 8  8  o 226.7883 1.437185  514.5726       4.607757  498.5145       9.215513  530.6307       9.215513  223.2480 2.063963  230.3286 2.000514  -7.080627      2.874370  
1 1 1 23 8  9  f 269.6042 1.713158  727.4157       6.528053  756.1963       13.05611  698.6351       13.05611  274.9417 2.374341  264.2666 2.470253  10.67514       3.426316  
1 1 1 23 8  10 o 122.3116 1.252327  150.6503       2.144251  175.2949       4.288502  126.0057       4.288502  132.3861 1.619695  112.2371 1.910465  20.14902       2.504653  
1 1 1 23 8  11 o 133.4363 1.341761  178.1873       2.530216  170.4632       5.060432  185.9113       5.060432  130.5420 1.938239  136.3306 1.855942  -5.788589      2.683522  
1 1 1 23 8  12 o 217.6752 1.572797  474.0652       4.841242  466.6461       9.682484  481.4844       9.682484  215.9711 2.241616  219.3794 2.206790  -3.408325      3.145594  
1 1 1 23 8  13 o 223.8965 1.578313  502.1026       4.988957  468.1900       9.977913  536.0151       9.977913  216.3232 2.306252  231.4697 2.155339  -15.14653      3.156625  
1 1 1 23 8  14 o 129.8241 1.769699  168.8192       3.244966  178.6971       6.489933  158.9414       6.489933  133.6284 2.428351  126.0197 2.574967  7.608635       3.539398  
1 1 1 23 8  15 o 156.0860 1.662210  243.8585       3.669051  245.8741       7.338103  241.8429       7.338103  156.7317 2.340976  155.4404 2.360424  1.291336       3.324420  
1 1 1 23 8  16 o 62.18053 3.862734  38.94436       3.392681  41.13150       6.785362  36.75723       6.785362  63.93923 5.306103  60.42183 5.614992  3.517399       7.725468  
1 1 1 23 8  17 o 31.90322 6.745447  9.658659       3.683347  17.12542       7.366693  2.191901       7.366693  40.08029 9.351909  23.72615 9.723477  16.35414       13.49089  
1 1 1 23 8  18 o 52.65858 6.346973  29.19993       4.569637  24.37775       9.139274  34.02211       9.139274  47.67059 9.914594  57.64658 7.926987  -9.975986      12.69395  
1 1 1 23 8  19 o 99.38625 4.098726  100.5225       5.751357  93.95631       11.50271  107.0887       11.50271  96.08289 5.985829  102.6896 5.600720  -6.606720      8.197452  
1 1 1 23 8  20 o 33.85469 7.971537  6.871132       5.656057  -9.644363      11.31211  23.38663       11.31211  22.02140 10.30928  45.68799 12.16143  -23.66659      15.94307  
1 1 1 23 8  21 o 104.1173 4.485272  111.8298       6.604293  111.9776       13.20859  111.6821       13.20859  104.1882 6.338810  104.0463 6.347453  0.1418686      8.970545  
1 1 1 23 8  22 f 37.98594 9.224415  14.46178       6.794893  1.048300       13.58979  27.87526       13.58979  28.40175 12.46788  47.57013 13.59821  -19.16838      18.44883  
1 1 1 23 9  0  o 170.7213 2.854287  291.7325       9.739664  291.7325       9.739664  291.7325       9.739664  170.7213 2.854287  170.7213 2.854287  0.000000       0.000000  
1 1 1 23 9  1  f 538.0967 2.909555  2897.865       22.12867  3010.557       44.25734  2785.172       44.25734  548.5681 4.033896  527.6254 4.194012  20.94275       5.819111  
1 1 1 23 9  2  o 511.6281 2.784662  2619.369       20.14166  2540.861       40.28333  2697.877       40.28333  503.9557 3.996714  519.3005 3.878615  -15.34479      5.569324  
1 1 1 23 9  3  o 192.2581 1.394499  370.2073       3.783412  342.2129       7.566823  398.2017       7.566823  184.9777 2.045334  199.5386 1.896080  -14.56085      2.788998  
1 1 1 23 9  4  o 280.6264 1.696536  787.6692       6.732948  785.5297       13.46590  789.8085       13.46590  280.2452 2.402520  281.0076 2.396002  -0.7623901     3.393071  
1 1 1 23 9  5  o 170.3167 1.355677  290.1982       3.264026  280.6967       6.528053  299.6996       6.528053  167.5274 1.948354  173.1060 1.885565  -5.578690      2.711354  
1 1 1 23 9  6  o 345.0877 2.077203  1192.251       10.12563  1126.180       20.25126  1258.323       20.25126  335.5146 3.017940  354.6609 2.855017  -19.14630      4.154406  
1 1 1 23 9  7  o 390.2731 2.224999  1523.967       12.27941  1546.567       24.55882  1501.366       24.55882  393.1685 3.123193  387.3776 3.169881  5.790924       4.449997  
1 1 1 23 9  8  o 158.4732 1.245283  251.3824       2.787526  237.1923       5.575052  265.5726       5.575052  153.9960 1.810128  162.9504 1.710660  -8.954315      2.490566  
1 1 1 23 9  9  o 51.08776 2.076537  26.66495       1.453326  19.07907       2.906651  34.25083       2.906651  43.66339 3.328476  58.51212 2.483803  -14.84873      4.153075  
1 1 1 23 9  10 o 187.2553 1.408948  350.7613       3.730997  346.9493       7.461993  354.5733       7.461993  186.2375 2.003354  188.2732 1.981693  -2.035721      2.817895  
1 1 1 23 9  11 o 305.4760 2.032237  933.9310       8.777134  958.6041       17.55427  909.2576       17.55427  309.5145 2.835775  301.4376 2.911758  8.076935       4.064475  
1 1 1 23 9  12 o 237.6431 1.591499  565.5151       5.341567  599.1514       10.68313  531.8791       10.68313  244.7201 2.182725  230.5661 2.316719  14.15407       3.182998  
1 1 1 23 9  13 o 130.7527 1.647822  171.4924       3.035306  188.8180       6.070612  154.1669       6.070612  137.3780 2.209456  124.1274 2.445316  13.25063       3.295643  
1 1 1 23 9  14 o 74.37447 2.633829  55.62663       2.754171  48.72691       5.508343  62.52635       5.508343  69.73597 3.949427  79.01297 3.485720  -9.277000      5.267658  
1 1 1 23 9  15 o 131.6227 1.899953  173.8082       3.526102  158.3696       7.052203  189.2468       7.052203  125.7579 2.803879  137.4874 2.564672  -11.72946      3.799906  
1 1 1 23 9  16 o 76.50188 3.478014  61.58288       3.502276  36.09013       7.004553  87.07565       7.004553  59.84035 5.852701  93.16340 3.759284  -33.32305      6.956028  
1 1 1 23 9  17 o 185.4967 2.121632  345.8677       5.546463  378.9416       11.09293  312.7938       11.09293  194.4117 2.852948  176.5818 3.141017  17.82990       4.243265  
1 1 1 23 9  18 o 99.03175 3.277301  99.08345       4.574402  89.76311       9.148804  108.4038       9.148804  94.32602 4.849566  103.7375 4.409595  -9.411461      6.554602  
1 1 1 23 9  19 o 78.44101 4.729852  62.94568       5.236737  58.51423       10.47347  67.37712       10.47347  75.61631 6.925407  81.26572 6.443969  -5.649406      9.459704  
1 1 1 23 9  20 o 62.83240 7.107963  42.35610       6.156383  46.11569       12.31277  38.59651       12.31277  66.26719 9.290243  59.39761 10.76029  6.869579       14.21593  
1 1 1 23 9  21 o 29.35043 8.944027  2.029891       6.747242  1.191251       13.49448  2.868531       13.49448  28.90839 12.55711  29.79247 12.73976  -0.8840790     17.88805  
1 1 1 23 9  22 o 39.50503 14.24161  18.33573       14.42842  18.33573       14.42842  ?              ?         39.50503 14.24161  ?        ?         ?              ?         
1 1 1 23 10 0  o 392.1082 4.296983  1538.448       33.68856  1538.448       33.68856  1538.448       33.68856  392.1082 4.296983  392.1082 4.296983  0.000000       0.000000  
1 1 1 23 10 1  o 357.5531 2.157142  1278.841       10.90709  1262.878       21.81418  1294.804       21.81418  355.3209 3.069645  359.7853 3.031555  -4.464447      4.314284  
1 1 1 23 10 2  o 484.0624 2.620025  2345.033       17.92594  2255.104       35.85188  2434.964       35.85188  474.7733 3.775683  493.3515 3.633502  -18.57816      5.240050  
1 1 1 23 10 3  o 373.4058 2.238873  1394.864       11.82197  1415.492       23.64394  1374.236       23.64394  376.1679 3.142738  370.6437 3.189578  5.524231       4.477746  
1 1 1 23 10 4  o 310.4355 1.792231  964.0314       7.867019  944.0231       15.73404  984.0396       15.73404  307.2129 2.560771  313.6581 2.508151  -6.445251      3.584462  
1 1 1 23 10 5  o 277.0325 1.726156  771.7397       6.709123  659.9242       13.41825  883.5552       13.41825  256.8516 2.612062  297.2135 2.257341  -40.36185      3.452312  
1 1 1 23 10 6  o 344.5726 2.067791  1188.029       10.07321  1222.118       20.14643  1153.941       20.14643  349.5191 2.882021  339.6261 2.965972  9.893066       4.135581  
1 1 1 23 10 7  o 302.1031 1.773398  912.9838       7.576353  922.0850       15.15271  903.8827       15.15271  303.6094 2.495427  300.5968 2.520437  3.012604       3.546796  
1 1 1 23 10 8  o 255.4529 1.569800  653.9060       5.656057  598.9226       11.31211  708.8894       11.31211  244.6910 2.311510  266.2149 2.124621  -21.52386      3.139601  
1 1 1 23 10 9  o 334.5885 2.071748  1120.657       9.796844  1074.517       19.59369  1166.797       19.59369  327.6935 2.989636  341.4835 2.868907  -13.78995      4.143496  
1 1 1 23 10 10 o 347.7373 2.101631  1210.048       10.33529  1211.473       20.67058  1208.624       20.67058  347.9422 2.970404  347.5324 2.973906  0.4097290      4.203263  
1 1 1 23 10 11 o 266.4648 1.774050  710.3903       6.685298  710.1663       13.37060  710.6143       13.37060  266.4227 2.509282  266.5068 2.508491  -0.8407593E-01 3.548101  
1 1 1 23 10 12 o 56.36731 2.984664  32.44013       2.311026  23.60582       4.622052  41.27445       4.622052  48.53093 4.761965  64.20370 3.599522  -15.67277      5.969327  
1 1 1 23 10 13 o 229.4364 1.737283  526.7519       5.636997  526.5613       11.27399  526.9425       11.27399  229.3948 2.457334  229.4779 2.456445  -0.8309937E-01 3.474566  
1 1 1 23 10 14 o 242.8665 1.820181  590.9650       6.242152  628.5895       12.48430  553.3406       12.48430  250.6124 2.490759  235.1206 2.654873  15.49182       3.640362  
1 1 1 23 10 15 o 186.4696 1.787486  348.8839       4.698292  316.3580       9.396584  381.4098       9.396584  177.7481 2.643231  195.1911 2.407022  -17.44301      3.574972  
1 1 1 23 10 16 o 104.5426 2.514686  109.9381       3.702406  121.4504       7.404812  98.42589       7.404812  110.0486 3.364339  99.03656 3.738424  11.01201       5.029372  
1 1 1 23 10 17 o 45.44442 6.580011  21.92854       4.155082  16.21054       8.310163  27.64654       8.310163  38.87062 10.45859  52.01822 7.987743  -13.14759      13.16002  
1 1 1 23 10 18 o 106.7471 3.177055  115.1606       4.774532  102.6477       9.549064  127.6735       9.549064  100.8861 4.732599  112.6080 4.239956  -11.72199      6.354111  
1 1 1 23 10 19 o 124.5861 3.116368  156.7972       5.484517  165.3551       10.96903  148.2392       10.96903  128.0207 4.284086  121.1516 4.526987  6.869095       6.232737  
1 1 1 23 10 20 o 104.4312 3.704031  110.8959       5.470222  111.9299       10.94044  109.8619       10.94044  104.9262 5.213399  103.9361 5.263064  0.9901199      7.408062  
1 1 1 23 10 21 o 31.18318 9.107475  5.779947       6.542348  7.023612       13.08470  4.536282       13.08470  31.93800 13.00211  30.42836 12.75655  1.509640       18.21495  
1 1 1 23 10 22 o 95.47801 6.257854  98.73083       8.429289  106.0594       16.85858  91.40227       16.85858  99.31584 8.487355  91.64018 9.198245  7.675659       12.51571  
1 1 1 23 11 0  o 179.8221 2.818331  323.6389       10.13039  323.6389       10.13039  323.6389       10.13039  179.8221 2.818331  179.8221 2.818331  0.000000       0.000000  
1 1 1 23 11 1  o 320.9388 1.825689  1030.241       8.286338  1033.167       16.57268  1027.315       16.57268  321.3946 2.578244  320.4830 2.585578  0.9116211      3.651377  
1 1 1 23 11 2  o 580.2583 3.277820  3370.581       26.88414  3495.796       53.76828  3245.366       53.76828  591.0479 4.548556  569.4687 4.720917  21.57916       6.555640  
1 1 1 23 11 3  o 404.1012 2.292210  1634.429       13.08946  1560.071       26.17892  1708.787       26.17892  394.9008 3.314620  413.3016 3.167048  -18.40076      4.584420  
1 1 1 23 11 4  o 384.2206 2.115245  1476.822       11.49319  1462.236       22.98637  1491.407       22.98637  382.3226 3.006149  386.1187 2.976593  -3.796173      4.230489  
1 1 1 23 11 5  o 261.7806 1.593470  686.2031       5.889543  640.8070       11.77909  731.5994       11.77909  253.1099 2.326871  270.4513 2.177672  -17.34132      3.186940  
1 1 1 23 11 6  o 421.7313 2.353584  1779.890       14.03293  1729.229       28.06586  1830.552       28.06586  415.7249 3.375533  427.7376 3.280733  -12.01276      4.707169  
1 1 1 23 11 7  o 113.3560 1.242578  128.7313       1.987006  139.2143       3.974012  118.2483       3.974012  117.9800 1.684189  108.7321 1.827432  9.247856       2.485157  
1 1 1 23 11 8  o 144.2365 1.350087  208.5546       2.744641  188.8180       5.489282  228.2913       5.489282  137.3947 1.997632  151.0782 1.816702  -13.68353      2.700174  
1 1 1 23 11 9  o 302.7497 1.830786  917.7775       7.828898  865.2195       15.65780  970.3354       15.65780  294.0696 2.662260  311.4298 2.513856  -17.36020      3.661571  
1 1 1 23 11 10 o 161.2397 1.397986  260.0643       3.187786  260.6266       6.375573  259.5020       6.375573  161.4141 1.974912  161.0654 1.979188  0.3487244      2.795972  
1 1 1 23 11 11 o 250.1103 1.716119  626.1403       6.065848  653.0911       12.13170  599.1894       12.13170  255.4981 2.374127  244.7225 2.478664  10.77559       3.432237  
1 1 1 23 11 12 o 76.37157 2.402201  58.85730       2.563571  69.28313       5.127142  48.43148       5.127142  83.19730 3.081315  69.54585 3.686159  13.65144       4.804402  
1 1 1 23 11 13 o 250.2156 1.735855  626.5500       6.142087  634.5744       12.28417  618.5259       12.28417  251.8191 2.439087  248.6121 2.470550  3.206955       3.471709  
1 1 1 23 11 14 o 65.51518 3.230447  43.92855       2.901886  31.62055       5.803772  56.23655       5.803772  56.12194 5.170681  74.90842 3.873912  -18.78649      6.460893  
1 1 1 23 11 15 o 169.4877 1.876400  287.8442       4.493397  302.1488       8.986794  273.5397       8.986794  173.7076 2.586759  165.2677 2.718859  8.439880       3.752801  
1 1 1 23 11 16 o 56.57186 4.617179  32.65456       3.645226  26.63636       7.290452  38.67275       7.290452  51.25278 7.112251  61.89093 5.889759  -10.63815      9.234358  
1 1 1 23 11 17 o 86.90061 3.365157  76.34010       4.116962  68.04423       8.233924  84.63596       8.233924  82.12742 5.012896  91.67381 4.490881  -9.546387      6.730315  
1 1 1 23 11 18 o 56.86472 5.132079  33.01670       4.126492  33.68856       8.252983  32.34483       8.252983  57.45548 7.182068  56.27397 7.332861  1.181515       10.26416  
1 1 1 23 11 19 o 129.5952 2.940361  169.5674       5.379687  158.1885       10.75937  180.9462       10.75937  125.2051 4.296700  133.9854 4.015130  -8.780289      5.880723  
1 1 1 23 11 20 o 53.87579 8.614198  33.09294       6.475638  25.06391       12.95128  41.12197       12.95128  46.71152 13.25016  61.04007 11.01140  -14.32855      17.22840  
1 1 1 23 11 21 f 55.15264 8.483713  35.62315       6.937842  55.47415       13.87568  15.77216       13.87568  71.88175 9.651745  38.42352 13.95483  33.45823       16.96743  
1 1 1 23 11 22 o 46.50995 15.14316  27.57983       16.13430  27.57983       16.13430  ?              ?         46.50995 15.14316  ?        ?         ?              ?         
1 1 1 23 12 0  o 216.1797 3.230747  467.7326       13.96145  467.7326       13.96145  467.7326       13.96145  216.1797 3.230747  216.1797 3.230747  0.000000       0.000000  
1 1 1 23 12 1  o 685.2294 3.632683  4702.095       35.17524  4917.043       70.35049  4487.145       70.35049  700.9138 5.018483  669.5449 5.253605  31.36890       7.265366  
1 1 1 23 12 2  o 125.1171 1.130557  157.7597       1.977476  185.2061       3.954952  130.3133       3.954952  136.0853 1.453114  114.1488 1.732367  21.93657       2.261114  
1 1 1 23 12 3  o 88.39424 1.425515  78.28421       1.777346  84.81703       3.554691  71.75140       3.554691  92.08952 1.930020  84.69897 2.098427  7.390549       2.851030  
1 1 1 23 12 4  o 203.2603 1.497259  413.3020       4.302797  424.2186       8.605594  402.3853       8.605594  205.9456 2.089288  200.5749 2.145232  5.370758       2.994519  
1 1 1 23 12 5  o 452.1059 2.538384  2046.459       16.21530  2146.157       32.43060  1946.761       32.43060  463.1319 3.501228  441.0799 3.676273  22.05197       5.076768  
1 1 1 23 12 6  o 149.2399 1.255378  222.7734       2.649341  226.1089       5.298682  219.4379       5.298682  150.3574 1.762030  148.1224 1.788616  2.234985       2.510756  
1 1 1 23 12 7  o 170.1489 1.426942  289.7312       3.430801  303.2447       6.861602  276.2176       6.861602  174.1200 1.970366  166.1778 2.064537  7.942184       2.853884  
1 1 1 23 12 8  o 453.8072 2.529641  2061.135       16.23436  2077.264       32.46873  2045.005       32.46873  455.5844 3.563415  452.0301 3.591434  3.554291       5.059281  
1 1 1 23 12 9  o 200.4648 1.458024  402.1328       4.131257  386.8514       8.262513  417.4142       8.262513  196.6533 2.100782  204.2763 2.022387  -7.622971      2.916048  
1 1 1 23 12 10 o 190.5376 1.647523  365.9855       4.388567  302.3870       8.777133  429.5840       8.777133  173.8484 2.524364  207.2268 2.117760  -33.37843      3.295045  
1 1 1 23 12 11 o 138.5795 1.476401  192.1630       2.892356  186.0257       5.784712  198.3003       5.784712  136.3651 2.121038  140.7939 2.054320  -4.428741      2.952801  
1 1 1 23 12 12 o 374.1995 2.346493  1402.059       12.41283  1357.273       24.82566  1446.845       24.82566  368.2152 3.371080  380.1838 3.264955  -11.96857      4.692986  
1 1 1 23 12 13 o 266.1429 1.843398  708.9561       6.937842  700.2456       13.87568  717.6665       13.87568  264.5065 2.622939  267.7793 2.590881  -3.272827      3.686797  
1 1 1 23 12 14 o 90.98914 2.451480  83.03016       3.149666  88.33360       6.299332  77.72671       6.299332  93.90347 3.354153  88.07481 3.576126  5.828651       4.902960  
1 1 1 23 12 15 o 74.51627 3.143653  56.24609       3.268791  66.72909       6.537583  45.76308       6.537583  81.55031 4.008312  67.48224 4.843929  14.06807       6.287306  
1 1 1 23 12 16 o 70.16388 4.133734  50.02299       4.064547  57.69464       8.129093  42.35134       8.129093  75.63083 5.374193  64.69692 6.282443  10.93391       8.267468  
1 1 1 23 12 17 o 79.07658 3.775249  63.16010       4.221792  63.68901       8.443583  62.63119       8.443583  79.41101 5.316381  78.74214 5.361540  0.6688690      7.550498  
1 1 1 23 12 18 o 80.82210 4.256382  67.65826       4.712587  48.66020       9.425174  86.65632       9.425174  69.06908 6.823005  92.57511 5.090555  -23.50603      8.512764  
1 1 1 23 12 19 o 39.85104 8.051579  16.47261       5.341567  5.184323       10.68313  27.76090       10.68313  29.38711 11.83252  50.31496 10.92259  -20.92786      16.10316  
1 1 1 23 12 20 o 66.74393 6.619896  47.33553       6.194502  40.55970       12.38900  54.11136       12.38900  61.66794 10.04493  71.81992 8.625047  -10.15198      13.23979  
1 1 1 23 12 21 o 40.05940 9.719653  14.73339       7.781249  -2.706521      15.56250  32.17329       15.56250  28.77624 12.93394  51.34257 14.51205  -22.56633      19.43931  
1 1 1 23 12 22 o 41.28312 14.59422  20.79447       15.08600  20.79447       15.08600  ?              ?         41.28312 14.59422  ?        ?         ?              ?         
1 1 1 23 13 0  f 252.1289 3.100499  636.0897       15.62921  636.0897       15.62921  636.0897       15.62921  252.1289 3.100499  252.1289 3.100499  0.000000       0.000000  
1 1 1 23 13 1  o 230.5937 1.431375  533.1227       4.650642  480.3789       9.301284  585.8665       9.301284  219.1572 2.122058  242.0302 1.921513  -22.87303      2.862751  
1 1 1 23 13 2  o 225.2433 1.458935  507.8826       4.641112  538.1783       9.282224  477.5866       9.282224  231.9684 2.000752  218.5181 2.123903  13.45030       2.917871  
1 1 1 23 13 3  o 412.2419 2.371113  1700.291       13.82327  1688.021       27.64654  1712.561       27.64654  410.7537 3.365343  413.7300 3.341133  -2.976379      4.742226  
1 1 1 23 13 4  o 227.2612 1.463600  516.6453       4.703057  528.2576       9.406114  505.0330       9.406114  229.8160 2.046444  224.7063 2.092979  5.109695       2.927199  
1 1 1 23 13 5  f 67.14445 1.943345  46.06327       1.786876  59.24804       3.573751  32.87851       3.573751  76.96265 2.321744  57.32624 3.117029  19.63641       3.886691  
1 1 1 23 13 6  o 189.7144 1.312658  360.0150       3.521337  366.8956       7.042673  353.1343       7.042673  191.5278 1.838551  187.9010 1.874038  3.626846       2.625317  
1 1 1 23 13 7  o 365.0500 2.113003  1333.429       10.90709  1308.146       21.81418  1358.712       21.81418  361.5871 3.016449  368.5130 2.959757  -6.925934      4.226006  
1 1 1 23 13 8  o 125.4204 1.294874  157.3404       2.296731  156.9973       4.593462  157.6834       4.593462  125.2837 1.833225  125.5572 1.829231  -0.2735443     2.589749  
1 1 1 23 13 9  o 128.8814 1.314441  166.5416       2.387266  182.7188       4.774532  150.3644       4.774532  135.1574 1.766286  122.6054 1.947114  12.55199       2.628882  
1 1 1 23 13 10 o 89.52602 1.814654  81.10034       2.258611  64.01304       4.517222  98.18763       4.517222  79.98282 2.823870  99.06923 2.279831  -19.08641      3.629308  
1 1 1 23 13 11 o 162.5724 1.523953  264.7245       3.497512  246.5031       6.995024  282.9458       6.995024  156.9684 2.228163  168.1765 2.079667  -11.20815      3.047905  
1 1 1 23 13 12 o 254.4307 1.788328  647.8688       6.432753  666.4999       12.86551  629.2375       12.86551  258.0920 2.492426  250.7693 2.565207  7.322678       3.576657  
1 1 1 23 13 13 o 295.8001 1.941002  875.8168       8.119563  881.3443       16.23913  870.2894       16.23913  296.7344 2.736307  294.8658 2.753647  1.868622       3.882003  
1 1 1 23 13 14 o 230.9498 1.817934  533.9709       5.937192  541.1613       11.87438  526.7805       11.87438  232.5065 2.553560  229.3931 2.588218  3.113434       3.635868  
1 1 1 23 13 15 o 159.9888 1.896732  256.4715       4.288502  267.5453       8.577003  245.3976       8.577003  163.4496 2.623746  156.5279 2.739768  6.921646       3.793464  
1 1 1 23 13 16 o 33.73563 7.181760  11.77432       3.769116  14.61903       7.538233  8.929614       7.538233  37.04258 9.958424  30.42868 10.35087  6.613899       14.36352  
1 1 1 23 13 17 o 156.9885 2.307298  247.4084       5.122376  245.0450       10.24475  249.7719       10.24475  156.2357 3.278621  157.7412 3.247330  -1.505478      4.614597  
1 1 1 23 13 18 o 142.0854 2.695522  203.3512       5.413042  211.5089       10.82608  195.1935       10.82608  144.9561 3.734263  139.2147 3.888269  5.741409       5.391044  
1 1 1 23 13 19 o 98.74553 4.227381  99.45988       5.889543  107.1839       11.77909  91.73582       11.77909  102.6566 5.737129  94.83443 6.210342  7.822197       8.454762  
1 1 1 23 13 20 o 106.8533 4.418816  117.6336       6.628118  133.6774       13.25624  101.5898       13.25624  114.3606 5.795804  99.34587 6.671760  15.01476       8.837631  
1 1 1 23 13 21 o 66.10054 8.316285  50.14688       7.481052  61.09686       14.96210  39.19691       14.96210  74.88421 9.990161  57.31686 13.29809  17.56734       16.63257  
1 1 1 23 13 22 o 39.94002 15.01019  19.31732       16.25819  19.31732       16.25819  ?              ?         39.94002 15.01019  ?        ?         ?              ?         
1 1 1 23 14 0  o 201.3717 2.710482  405.7875       10.91185  405.7875       10.91185  405.7875       10.91185  201.3717 2.710482  201.3717 2.710482  0.000000       0.000000  
1 1 1 23 14 1  o 297.5638 1.760827  885.6995       7.409578  876.3029       14.81916  895.0961       14.81916  295.9849 2.503364  299.1427 2.476937  -3.157806      3.521654  
1 1 1 23 14 2  o 541.4712 2.969255  2935.327       22.72429  2821.053       45.44859  3049.601       45.44859  530.9189 4.280181  552.0234 4.116546  -21.10443      5.938510  
1 1 1 23 14 3  o 209.0443 1.312459  438.2419       3.864417  483.6000       7.728833  392.8840       7.728833  219.8932 1.757406  198.1954 1.949801  21.69780       2.624919  
1 1 1 23 14 4  o 528.1599 2.876655  2791.848       21.48539  2826.304       42.97079  2757.393       42.97079  531.4218 4.043002  524.8981 4.093251  6.523743       5.753310  
1 1 1 23 14 5  o 568.2915 3.116898  3234.021       25.03532  3361.947       50.07064  3106.095       50.07064  579.5468 4.319810  557.0362 4.494380  22.51062       6.233796  
1 1 1 23 14 6  o 130.4253 1.317716  170.1582       2.430151  166.7465       4.860302  173.5700       4.860302  129.1174 1.882125  131.7332 1.844752  -2.615875      2.635432  
1 1 1 23 14 7  o 103.6643 1.408392  107.5413       2.063246  112.2825       4.126492  102.8001       4.126492  105.9511 1.947356  101.3775 2.035210  4.573586       2.816785  
1 1 1 23 14 8  o 279.6415 1.722265  782.4801       6.809187  803.8273       13.61837  761.1328       13.61837  283.4584 2.402183  275.8246 2.468666  7.633789       3.444531  
1 1 1 23 14 9  o 149.4957 1.368404  224.0837       2.882826  245.8074       5.765652  202.3601       5.765652  156.7613 1.838991  142.2300 2.026876  14.53128       2.736807  
1 1 1 23 14 10 o 132.1756 1.428467  175.4617       2.654106  153.3187       5.308212  197.6046       5.308212  123.7992 2.143879  140.5519 1.888346  -16.75269      2.856933  
1 1 1 23 14 11 o 183.3770 1.539893  336.4520       3.993072  341.9366       7.986144  330.9675       7.986144  184.8724 2.159907  181.8816 2.195424  2.990829       3.079786  
1 1 1 23 14 12 o 86.61971 2.228893  75.10595       2.730346  75.43951       5.460692  74.77241       5.460692  86.81224 3.145117  86.42716 3.159130  0.3850784      4.457786  
1 1 1 23 14 13 o 125.0133 1.924963  156.6065       3.397446  146.0664       6.794893  167.1467       6.794893  120.7977 2.812510  129.2289 2.629014  -8.431252      3.849925  
1 1 1 23 14 14 o 79.62320 2.693621  63.92250       3.006716  54.24479       6.013433  73.60022       6.013433  73.54601 4.088211  85.70040 3.508404  -12.15440      5.387241  
1 1 1 23 14 15 o 217.7007 1.806174  474.6037       5.560757  473.7270       11.12151  475.4804       11.12151  217.4993 2.556678  217.9021 2.551952  -0.4027557     3.612349  
1 1 1 23 14 16 o 131.7576 2.170338  174.1846       4.040722  166.0317       8.081444  182.3376       8.081444  128.6637 3.140529  134.8515 2.996423  -6.187820      4.340676  
1 1 1 23 14 17 o 68.61996 4.326545  48.34094       4.116962  59.10509       8.233924  37.57681       8.233924  76.46327 5.384234  60.77666 6.773919  15.68661       8.653090  
1 1 1 23 14 18 o 113.8395 3.113663  130.8565       5.012782  131.1424       10.02556  130.5706       10.02556  113.9651 4.398524  113.7140 4.408238  0.2511368      6.227325  
1 1 1 23 14 19 o 46.13852 8.106762  23.65823       5.327272  18.63116       10.65454  28.68531       10.65454  41.11229 12.13487  51.16475 10.75283  -10.05246      16.21352  
1 1 1 23 14 20 o 70.35473 6.159506  52.18631       6.094438  58.21880       12.18888  46.15381       12.18888  74.64193 8.164899  66.06753 9.224559  8.574402       12.31901  
1 1 1 23 14 21 o 92.42204 5.093479  89.59156       6.632883  81.11939       13.26577  98.06374       13.26577  87.83863 7.551213  97.00546 6.837638  -9.166832      10.18696  
1 1 1 23 14 22 o 48.21210 14.83468  31.75397       15.69592  31.75397       15.69592  ?              ?         48.21210 14.83468  ?        ?         ?              ?         
1 1 1 23 15 0  o 125.7317 2.492093  158.2934       6.261212  158.2934       6.261212  158.2934       6.261212  125.7317 2.492093  125.7317 2.492093  0.000000       0.000000  
1 1 1 23 15 1  o 165.6676 1.347039  274.8691       3.149666  254.8323       6.299332  294.9060       6.299332  159.6203 1.973224  171.7149 1.834242  -12.09460      2.694078  
1 1 1 23 15 2  o 556.3341 3.033921  3098.362       23.86313  3184.994       47.72626  3011.729       47.72626  564.1202 4.230150  548.5481 4.350235  15.57208       6.067843  
1 1 1 23 15 3  o 201.7297 1.338604  407.1694       3.816766  422.8368       7.633533  391.5021       7.633533  205.6130 1.856287  197.8465 1.929156  7.766479       2.677208  
1 1 1 23 15 4  o 375.0533 2.306119  1407.401       12.23176  1410.431       24.46352  1404.370       24.46352  375.4573 3.257830  374.6493 3.264857  0.8080444      4.612239  
1 1 1 23 15 5  o 127.4556 1.332468  162.9202       2.392031  179.8216       4.784062  146.0187       4.784062  134.0859 1.783954  120.8252 1.979744  13.26067       2.664935  
1 1 1 23 15 6  o 164.2841 1.370130  271.5861       3.154431  229.5683       6.308862  313.6038       6.308862  151.4960 2.082188  177.0723 1.781437  -25.57629      2.740260  
1 1 1 23 15 7  o 213.4254 1.453155  455.7915       4.383801  438.9710       8.767603  472.6119       8.767603  209.4848 2.092658  217.3660 2.016783  -7.881210      2.906309  
1 1 1 23 15 8  o 82.59830 1.644845  68.27771       1.920296  65.64266       3.840591  70.91276       3.840591  81.00321 2.370642  84.19340 2.280815  -3.190186      3.289690  
1 1 1 23 15 9  o 114.2666 1.352970  130.7659       2.182371  121.6505       4.364742  139.8814       4.364742  110.2780 1.978973  118.2553 1.845474  -7.977348      2.705939  
1 1 1 23 15 10 o 192.2905 1.459688  370.4932       3.959717  340.5451       7.919433  400.4412       7.919433  184.5033 2.146150  200.0777 1.979090  -15.57439      2.919376  
1 1 1 23 15 11 o 363.6460 2.144262  1323.670       11.02621  1301.617       22.05243  1345.722       22.05243  360.6139 3.057623  366.6782 3.007055  -6.064270      4.288524  
1 1 1 23 15 12 o 310.9678 1.990754  968.7154       8.743778  912.5742       17.48756  1024.857       17.48756  301.9410 2.895857  319.9947 2.732476  -18.05371      3.981509  
1 1 1 23 15 13 o 49.79736 4.630894  26.06933       3.016246  35.08947       6.032492  17.04918       6.032492  59.12904 5.101125  40.46568 7.730411  18.66336       9.261788  
1 1 1 23 15 14 o 137.5137 1.929795  189.7805       3.740526  207.5540       7.481052  172.0070       7.481052  143.9761 2.598019  131.0512 2.854247  12.92487       3.859590  
1 1 1 23 15 15 o 81.75676 3.113177  67.17700       3.597576  69.70245       7.195153  64.65155       7.195153  83.30125 4.318755  80.21227 4.485070  3.088974       6.226355  
1 1 1 23 15 16 o 132.9402 2.140448  177.4630       4.016897  165.1931       8.033793  189.7328       8.033793  128.3253 3.130244  137.5550 2.920212  -9.229645      4.280896  
1 1 1 23 15 17 o 49.77419 6.568910  26.17892       4.498162  30.58178       8.996324  21.77606       8.996324  54.60559 8.237549  44.94279 10.23450  9.662804       13.13782  
1 1 1 23 15 18 o 99.37734 3.755369  100.6845       5.231973  85.62708       10.46395  115.7419       10.46395  91.80147 5.699225  106.9532 4.891832  -15.15175      7.510738  
1 1 1 23 15 19 o 93.29068 4.503709  89.70592       5.860952  73.07607       11.72190  106.3358       11.72190  84.37775 6.946087  102.2036 5.734584  -17.82586      9.007419  
1 1 1 23 15 20 o 89.50782 5.004963  83.17787       6.327922  87.68556       12.65584  78.67018       12.65584  92.02586 6.876244  86.98978 7.274330  5.036087       10.00993  
1 1 1 23 15 21 o 63.44570 8.505521  48.76503       7.390518  74.05766       14.78104  23.47240       14.78104  82.99561 8.904710  43.89579 14.49419  39.09982       17.01104  
1 1 1 23 16 0  o 43.12854 5.138190  19.39356       4.326622  19.39356       4.326622  19.39356       4.326622  43.12854 5.138190  43.12854 5.138190  0.000000       0.000000  
1 1 1 23 16 1  o 147.9936 1.388643  221.9395       2.849471  171.7116       5.698943  272.1674       5.698943  131.0240 2.174771  164.9632 1.727337  -33.93924      2.777287  
1 1 1 23 16 2  f 293.4543 1.743010  861.8125       7.228508  899.1844       14.45702  824.4406       14.45702  299.8219 2.410934  287.0867 2.517883  12.73517       3.486021  
1 1 1 23 16 3  o 257.4310 1.705534  663.6075       6.199268  620.2984       12.39854  706.9166       12.39854  249.0192 2.489474  265.8428 2.331930  -16.82358      3.411067  
1 1 1 23 16 4  o 397.6249 2.345569  1582.009       13.18952  1592.874       26.37905  1571.145       26.37905  398.9911 3.305720  396.2588 3.328513  2.732300       4.691139  
1 1 1 23 16 5  o 194.1460 1.365044  377.1833       3.745291  393.4748       7.490582  360.8917       7.490582  198.3416 1.888303  189.9503 1.971722  8.391373       2.730088  
1 1 1 23 16 6  o 158.0190 1.546332  250.2817       3.445096  272.8059       6.890193  227.7576       6.890193  165.1460 2.086091  150.8919 2.283155  14.25410       3.092664  
1 1 1 23 16 7  o 86.20215 1.491410  74.40551       1.815466  69.74057       3.630931  79.07044       3.630931  83.49634 2.174306  88.90796 2.041961  -5.411621      2.982819  
1 1 1 23 16 8  o 370.5368 2.157412  1375.732       11.28353  1277.449       22.56705  1474.015       22.56705  357.2746 3.158222  383.7991 2.939956  -26.52448      4.314825  
1 1 1 23 16 9  o 200.3820 1.441915  401.8279       4.083606  385.4982       8.167212  418.1575       8.167212  196.3074 2.080210  204.4566 1.997297  -8.149261      2.883829  
1 1 1 23 16 10 o 145.9392 1.473133  213.0814       3.040071  216.6265       6.080142  209.5362       6.080142  147.1538 2.065914  144.7246 2.100590  2.429199       2.946265  
1 1 1 23 16 11 o 218.9639 1.588391  480.3694       4.907952  516.8788       9.815904  443.8599       9.815904  227.3008 2.159232  210.6271 2.330162  16.67374       3.176781  
1 1 1 23 16 12 f 263.4668 1.816122  694.7659       6.766303  684.6641       13.53261  704.8677       13.53261  261.5497 2.587005  265.3839 2.549629  -3.834167      3.632245  
1 1 1 23 16 13 o 31.36286 4.976871  8.867668       2.849471  20.93742       5.698943  -3.202081      5.698943  45.61959 6.246157  17.10613 7.750000  28.51346       9.953742  
1 1 1 23 16 14 o 119.7884 2.134062  143.8506       3.611871  136.6984       7.223743  151.0029       7.223743  116.8031 3.092275  122.7738 2.941891  -5.970757      4.268124  
1 1 1 23 16 15 o 93.09067 2.870659  87.13760       3.773881  81.81509       7.547763  92.46010       7.547763  90.23190 4.182425  95.94945 3.933198  -5.717552      5.741317  
1 1 1 23 16 16 o 118.5870 2.500334  141.3490       4.188437  133.5725       8.376874  149.1255       8.376874  115.3082 3.632386  121.8658 3.436926  -6.557640      5.000669  
1 1 1 23 16 17 o 87.42517 3.767840  77.39792       4.645877  70.90323       9.291754  83.89262       9.291754  83.71075 5.549917  91.13960 5.097539  -7.428856      7.535681  
1 1 1 23 16 18 o 89.48755 4.219919  81.50059       5.336802  78.06026       10.67360  84.94093       10.67360  87.56531 6.094654  91.40979 5.838327  -3.844482      8.439838  
1 1 1 23 16 19 o 81.42886 5.385624  68.97340       6.142087  79.63271       12.28417  58.31409       12.28417  87.97403 6.981705  74.88370 8.202169  13.09033       10.77125  
1 1 1 23 16 20 o 45.38396 8.617305  23.47716       6.265977  37.29090       12.53195  9.663424       12.53195  57.46914 11.30599  33.29878 13.00793  24.17036       17.23461  
1 1 1 23 16 21 o 58.88124 9.505504  42.34181       7.757423  45.17222       15.51485  39.51140       15.51485  61.21132 13.05848  56.55117 13.81646  4.660141       19.01101  
1 1 1 23 17 0  o 189.7256 2.967733  360.3008       11.25493  360.3008       11.25493  360.3008       11.25493  189.7256 2.967733  189.7256 2.967733  0.000000       0.000000  
1 1 1 23 17 1  o 128.8789 1.293944  167.6852       2.325321  135.4881       4.650642  199.8823       4.650642  116.3877 1.997909  141.3702 1.644846  -24.98244      2.587887  
1 1 1 23 17 2  o 288.7119 1.715779  833.8753       7.004553  817.7887       14.00911  849.9619       14.00911  285.9260 2.449779  291.4978 2.402952  -5.571838      3.431559  
1 1 1 23 17 3  o 205.5842 1.415043  422.8701       4.112197  437.6940       8.224394  408.0462       8.224394  209.1895 1.965776  201.9789 2.035954  7.210648       2.830085  
1 1 1 23 17 4  o 132.7345 1.314263  176.8435       2.453976  155.8632       4.907952  197.8238       4.907952  124.8314 1.965833  140.6376 1.744893  -15.80622      2.628526  
1 1 1 23 17 5  o 252.4582 1.692172  637.8717       6.037257  665.6517       12.07451  610.0918       12.07451  257.9601 2.340384  246.9563 2.444666  11.00378       3.384345  
1 1 1 23 17 6  o 225.6675 1.515538  509.4407       4.836477  515.3159       9.672954  503.5654       9.672954  226.9693 2.130895  224.3658 2.155622  2.603516       3.031075  
1 1 1 23 17 7  o 53.91907 2.422724  29.79079       1.782111  20.80400       3.564222  38.77758       3.564222  45.58548 3.909383  62.25266 2.862706  -16.66719      4.845447  
1 1 1 23 17 8  o 89.87099 1.607570  80.90020       2.039421  86.55150       4.078841  75.24891       4.078841  93.01511 2.192569  86.72687 2.351544  6.288239       3.215139  
1 1 1 23 17 9  o 292.5379 1.825763  857.0284       7.542998  805.1900       15.08600  908.8669       15.08600  283.6778 2.659002  301.3981 2.502670  -17.72028      3.651527  
1 1 1 23 17 10 o 116.6127 1.852094  136.0789       3.054366  136.6412       6.108732  135.5166       6.108732  116.8538 2.613836  116.3716 2.624665  0.4821777      3.704188  
1 1 1 23 17 11 o 244.3942 1.661837  598.0745       5.737062  564.8243       11.47412  631.3246       11.47412  237.5916 2.414674  251.1968 2.283892  -13.60515      3.323674  
1 1 1 23 17 12 o 77.04718 2.323680  59.99138       2.496861  71.42738       4.993722  48.55537       4.993722  84.46861 2.955963  69.62576 3.586117  14.84286       4.647360  
1 1 1 23 17 13 o 95.50672 2.562851  91.69769       3.445096  81.41482       6.890193  101.9806       6.890193  90.12340 3.822644  100.8900 3.414704  -10.76665      5.125701  
1 1 1 23 17 14 o 85.17355 3.008510  73.23331       3.592812  84.21664       7.185624  62.24999       7.185624  91.62116 3.921378  78.72593 4.563696  12.89523       6.017019  
1 1 1 23 17 15 o 107.0896 2.828804  115.2463       4.283737  113.3975       8.567473  117.0952       8.567473  106.2264 4.032650  107.9528 3.968158  -1.726418      5.657609  
1 1 1 23 17 16 o 100.0316 2.974705  100.6988       4.207497  102.8097       8.414993  98.58788       8.414993  101.0868 4.162263  98.97653 4.251005  2.110237       5.949409  
1 1 1 23 17 17 o 41.72264 7.520641  18.79317       4.788827  28.72343       9.577654  8.862904       9.577654  51.85155 9.596638  31.59373 11.58209  20.25783       15.04128  
1 1 1 23 17 18 o 88.06012 4.259643  79.13239       5.284387  71.27490       10.56877  86.98988       10.56877  83.59869 6.321136  92.52155 5.711520  -8.922859      8.519286  
1 1 1 23 17 19 o 67.53683 6.955250  49.94199       6.223093  64.51813       12.44619  35.36584       12.44619  78.75835 7.901503  56.31532 11.44850  22.44302       13.91050  
1 1 1 23 17 20 o 58.93079 8.728787  40.05460       7.052203  34.67015       14.10441  45.43906       14.10441  54.39469 13.10147  63.46689 11.53769  -9.072201      17.45757  
1 1 1 23 17 21 o 25.00004 11.73298  -10.32100      14.99070  -10.32100      14.99070  ?              ?         25.00004 11.73298  ?        ?         ?              ?         
1 1 1 23 18 0  f 245.1345 3.167687  601.3718       15.52438  601.3718       15.52438  601.3718       15.52438  245.1345 3.167687  245.1345 3.167687  0.000000       0.000000  
1 1 1 23 18 1  o 162.7690 1.403508  265.2581       3.225906  281.9928       6.451812  248.5235       6.451812  167.9096 1.921216  157.6284 2.046526  10.28123       2.807016  
1 1 1 23 18 2  o 450.5178 2.579236  2032.616       16.41543  1924.079       32.83086  2141.154       32.83086  438.4720 3.743781  462.5636 3.548794  -24.09161      5.158473  
1 1 1 23 18 3  o 266.4666 1.665181  711.6769       6.256447  774.8941       12.51289  648.4596       12.51289  278.3288 2.247862  254.6045 2.457320  23.72429       3.330361  
1 1 1 23 18 4  o 206.2323 1.569856  425.9959       4.569637  395.2760       9.139274  456.7159       9.139274  198.7844 2.298791  213.6802 2.138541  -14.89578      3.139712  
1 1 1 23 18 5  o 135.6567 1.401334  186.7499       2.630281  231.1312       5.260562  142.3687       5.260562  152.0146 1.730282  119.2988 2.204785  32.71584       2.802668  
1 1 1 23 18 6  o 362.0719 2.137542  1311.843       10.94521  1310.118       21.89042  1313.568       21.89042  361.8337 3.024929  362.3101 3.020951  -0.4764099     4.275083  
1 1 1 23 18 7  o 172.4672 1.591719  297.7507       3.878712  312.4984       7.757423  283.0030       7.757423  176.7427 2.194553  168.1917 2.306126  8.551010       3.183438  
1 1 1 23 18 8  o 203.0746 1.536405  412.5491       4.412392  411.0195       8.824783  414.0787       8.824783  202.6980 2.176830  203.4512 2.168771  -0.7532043     3.072810  
1 1 1 23 18 9  o 169.3589 1.498249  286.9579       3.588047  281.9833       7.176094  291.9326       7.176094  167.8902 2.137139  170.8275 2.100391  -2.937347      2.996499  
1 1 1 23 18 10 o 290.4673 1.809747  844.6586       7.428638  882.1161       14.85728  807.2008       14.85728  296.9151 2.501940  284.0195 2.615538  12.89566       3.619495  
1 1 1 23 18 11 o 140.7235 1.611686  198.1764       3.206846  202.6746       6.413693  193.6783       6.413693  142.3217 2.253237  139.1253 2.305006  3.196457       3.223373  
1 1 1 23 18 12 o 125.3312 1.729897  157.4452       3.059131  169.7294       6.118262  145.1610       6.118262  130.2319 2.348988  120.4305 2.540163  9.801376       3.459794  
1 1 1 23 18 13 o 199.6655 1.824751  399.9504       5.136672  436.1025       10.27334  363.7984       10.27334  208.7186 2.461051  190.6123 2.694827  18.10632       3.649502  
1 1 1 23 18 14 o 119.5147 2.388490  143.2169       4.035956  139.4526       8.071913  146.9813       8.071913  117.9398 3.422047  121.0895 3.333035  -3.149696      4.776979  
1 1 1 23 18 15 o 130.3894 2.366548  170.6824       4.359977  162.3817       8.719954  178.9830       8.719954  127.2063 3.427484  133.5724 3.264131  -6.366043      4.733095  
1 1 1 23 18 16 o 117.1220 2.727587  138.7044       4.479102  117.9243       8.958203  159.4846       8.958203  108.2508 4.137709  125.9931 3.555037  -17.74234      5.455173  
1 1 1 23 18 17 o 61.91246 5.411206  39.48757       4.722116  35.87093       9.444233  43.10421       9.444233  58.99169 8.004715  64.83323 7.283484  -5.841537      10.82241  
1 1 1 23 18 18 o 99.82727 4.066073  101.3945       5.737062  105.2970       11.47412  97.49194       11.47412  101.7819 5.636622  97.87263 5.861764  3.909294       8.132146  
1 1 1 23 18 19 o 99.02966 4.319602  100.5130       6.046787  103.9438       12.09357  97.08215       12.09357  100.7619 6.001068  97.29745 6.214744  3.464417       8.639205  
1 1 1 23 18 20 o 58.06184 9.138301  39.65911       7.319043  41.13150       14.63809  38.18673       14.63809  59.29428 12.71097  56.82941 13.13261  2.464863       18.27660  
1 1 1 23 18 21 o 44.70890 15.33316  25.40699       16.54409  25.40699       16.54409  ?              ?         44.70890 15.33316  ?        ?         ?              ?         
1 1 1 23 19 0  o 74.79892 3.397741  56.31279       5.060432  56.31279       5.060432  56.31279       5.060432  74.79892 3.397741  74.79892 3.397741  0.000000       0.000000  
1 1 1 23 19 1  o 158.5601 1.319723  251.4778       2.959066  247.6944       5.918132  255.2612       5.918132  157.3671 1.880359  159.7532 1.852274  -2.386093      2.639445  
1 1 1 23 19 2  o 71.72948 2.020528  51.56685       2.044186  47.23070       4.088372  55.90300       4.088372  68.70690 2.975227  74.75204 2.734622  -6.045143      4.041056  
1 1 1 23 19 3  o 316.2506 1.903924  1000.593       8.515059  993.4267       17.03012  1007.760       17.03012  315.1176 2.702184  317.3837 2.682891  -2.266083      3.807848  
1 1 1 23 19 4  o 154.2385 1.306342  237.9499       2.849471  237.5639       5.698943  238.3359       5.698943  154.1134 1.848944  154.3636 1.845947  -0.2502289     2.612684  
1 1 1 23 19 5  o 106.5982 1.410064  113.6834       2.125191  116.5805       4.250381  110.7863       4.250381  107.9571 1.968551  105.2393 2.019389  2.717789       2.820128  
1 1 1 23 19 6  o 352.2555 2.062521  1242.141       10.26858  1291.792       20.53716  1192.489       20.53716  359.3032 2.857915  345.2079 2.974607  14.09528       4.125041  
1 1 1 23 19 7  f 128.1623 1.360160  164.3830       2.463506  157.1974       4.927012  171.5687       4.927012  125.3590 1.965161  130.9656 1.881032  -5.606651      2.720320  
1 1 1 23 19 8  o 263.7929 1.724589  696.2717       6.432753  710.3760       12.86551  682.1672       12.86551  266.4663 2.414097  261.1195 2.463529  5.346802       3.449179  
1 1 1 23 19 9  o 82.72539 1.951410  68.87811       2.263376  79.25151       4.526752  58.50469       4.526752  88.99517 2.543257  76.45560 2.960379  12.53957       3.902820  
1 1 1 23 19 10 o 171.7982 1.591270  295.6159       3.859652  275.8650       7.719304  315.3669       7.719304  166.0499 2.324393  177.5465 2.173882  -11.49658      3.182541  
1 1 1 23 19 11 o 125.3992 1.684173  157.4976       2.982891  166.7084       5.965783  148.2868       5.965783  129.0717 2.311033  121.7266 2.450485  7.345154       3.368345  
1 1 1 23 19 12 f 116.8621 1.928050  137.0939       3.173491  151.3269       6.346982  122.8608       6.346982  122.9518 2.581085  110.7725 2.864874  12.17936       3.856100  
1 1 1 23 19 13 o 68.70793 3.180889  47.52613       3.078191  42.59911       6.156383  52.45314       6.156383  65.12245 4.726774  72.29341 4.257914  -7.170959      6.361778  
1 1 1 23 19 14 o 104.1181 2.572699  108.7707       3.788176  108.8422       7.576353  108.6992       7.576353  104.1525 3.637146  104.0838 3.639545  0.6864166E-01  5.145398  
1 1 1 23 19 15 f 194.7806 2.065599  381.1001       5.675117  412.7254       11.35023  349.4748       11.35023  202.8988 2.797018  186.6624 3.040310  16.23639       4.131198  
1 1 1 23 19 16 o 63.47232 5.107555  41.35069       4.536282  48.12652       9.072563  34.57485       9.072563  68.80994 6.592480  58.13469 7.803055  10.67525       10.21511  
1 1 1 23 19 17 o 58.57891 5.695974  35.49927       4.703057  38.72993       9.406114  32.26859       9.406114  61.33645 7.667638  55.82138 8.425190  5.515072       11.39195  
1 1 1 23 19 18 o 77.92796 5.430008  64.02257       5.760887  44.72431       11.52177  83.32082       11.52177  65.54585 8.789095  90.31007 6.379008  -24.76422      10.86002  
1 1 1 23 19 19 o 94.88086 4.453518  92.42198       5.975312  93.76571       11.95062  91.07825       11.95062  95.58898 6.251047  94.17274 6.345055  1.416237       8.907037  
1 1 1 23 19 20 o 37.17482 9.638470  14.12346       6.885427  21.05178       13.77085  7.195153       13.77085  42.14843 13.99013  32.20122 13.26185  9.947212       19.27694  
1 1 1 23 19 21 o 52.41124 14.85039  36.20448       16.27725  36.20448       16.27725  ?              ?         52.41124 14.85039  ?        ?         ?              ?         
1 1 1 23 20 0  f 102.4865 2.812919  105.2970       5.756122  105.2970       5.756122  105.2970       5.756122  102.4865 2.812919  102.4865 2.812919  0.000000       0.000000  
1 1 1 23 20 1  o 268.7290 1.706537  722.7888       6.480402  689.6387       12.96080  755.9390       12.96080  262.5611 2.468151  274.8969 2.357394  -12.33588      3.413074  
1 1 1 23 20 2  o 301.2044 1.817975  908.0616       7.738363  868.1548       15.47673  947.9686       15.47673  294.5799 2.626915  307.8290 2.513851  -13.24908      3.635950  
1 1 1 23 20 3  o 173.8068 1.404102  302.2536       3.449862  312.2601       6.899723  292.2471       6.899723  176.6854 1.952544  170.9282 2.018311  5.757248       2.808203  
1 1 1 23 20 4  o 343.3755 2.044857  1180.143       9.925499  1139.360       19.85100  1220.927       19.85100  337.4368 2.941439  349.3141 2.841425  -11.87729      4.089714  
1 1 1 23 20 5  o 241.8660 1.658259  585.3519       5.670352  568.6934       11.34070  602.0104       11.34070  238.4222 2.378282  245.3097 2.311508  -6.887482      3.316518  
1 1 1 23 20 6  o 201.3197 1.540720  405.6208       4.383801  388.9957       8.767603  422.2459       8.767603  197.1906 2.223129  205.4487 2.133770  -8.258057      3.081440  
1 1 1 23 20 7  o 67.51909 2.245262  45.95844       2.120426  53.76828       4.240851  38.14860       4.240851  73.30252 2.892705  61.73566 3.434685  11.56686       4.490524  
1 1 1 23 20 8  o 483.8977 2.730878  2344.638       18.68834  2341.894       37.37667  2347.383       37.37667  483.6141 3.864308  484.1813 3.859781  -0.5671997     5.461757  
1 1 1 23 20 9  o 124.7418 1.570825  156.6733       2.744641  181.5561       5.489282  131.7904       5.489282  134.7155 2.037361  114.7680 2.391469  19.94747       3.141649  
1 1 1 23 20 10 o 124.6560 1.742809  156.2635       3.049601  178.1539       6.099203  134.3730       6.099203  133.4363 2.285436  115.8756 2.631788  17.56067       3.485617  
1 1 1 23 20 11 o 313.9938 2.004785  987.0129       8.901024  1006.530       17.80205  967.4955       17.80205  317.1018 2.806993  310.8859 2.863117  6.215912       4.009569  
1 1 1 23 20 12 o 128.4112 1.863401  165.1073       3.383151  160.9618       6.766303  169.2529       6.766303  126.7971 2.668163  130.0254 2.601916  -3.228340      3.726803  
1 1 1 23 20 13 o 105.6512 2.232884  111.8727       3.335501  109.1852       6.671002  114.5602       6.671002  104.3793 3.195558  106.9230 3.119535  -2.543716      4.465769  
1 1 1 23 20 14 o 34.07399 6.289292  12.02687       3.364091  4.641112       6.728183  19.41262       6.728183  25.17916 9.602272  42.96881 8.125094  -17.78964      12.57858  
1 1 1 23 20 15 o 101.4822 3.128440  104.3583       4.445747  121.0596       8.891494  87.65698       8.891494  109.7109 4.052239  93.25348 4.767379  16.45741       6.256880  
1 1 1 23 20 16 o 131.2317 2.767816  173.2364       5.136672  171.9498       10.27334  174.5230       10.27334  130.7415 3.928876  131.7219 3.899634  -0.9803619     5.535631  
1 1 1 23 20 17 o 58.43818 6.155444  35.43732       5.079492  33.27877       10.15898  37.59586       10.15898  56.59131 8.975745  60.28504 8.425792  -3.693729      12.31089  
1 1 1 23 20 18 o 149.5139 3.079418  226.0040       6.508993  232.8180       13.01799  219.1901       13.01799  151.7926 4.288085  147.2352 4.420815  4.557404       6.158836  
1 1 1 23 20 19 o 35.23816 8.709230  9.539534       6.294568  -4.888892      12.58914  23.96796       12.58914  25.17271 11.44230  45.30360 13.13303  -20.13089      17.41846  
1 1 1 23 20 20 o 105.0865 4.945813  115.6752       7.333338  124.3189       14.66668  107.0315       14.66668  109.1992 6.715560  100.9739 7.262610  8.225327       9.891625  
1 1 1 23 20 21 o 40.64610 14.88275  23.37710       15.81028  23.37710       15.81028  ?              ?         40.64610 14.88275  ?        ?         ?              ?         
1 1 1 23 21 0  o 135.2227 2.560339  183.0904       6.918783  183.0904       6.918783  183.0904       6.918783  135.2227 2.560339  135.2227 2.560339  0.000000       0.000000  
1 1 1 23 21 1  o 232.1923 1.562766  541.9761       5.093787  617.7063       10.18757  466.2459       10.18757  248.4999 2.049814  215.8846 2.359495  32.61531       3.125533  
1 1 1 23 21 2  o 97.26997 1.555408  94.65199       2.139486  95.90996       4.278972  93.39404       4.278972  97.91661 2.185008  96.62334 2.214254  1.293266       3.110817  
1 1 1 23 21 3  o 336.8881 1.947369  1135.605       9.277458  1148.137       18.55492  1123.073       18.55492  338.7481 2.738749  335.0282 2.769158  3.719879       3.894737  
1 1 1 23 21 4  o 149.5028 1.575341  223.8074       3.325971  210.0127       6.651943  237.6021       6.651943  144.8893 2.295526  154.1164 2.158091  -9.227036      3.150682  
1 1 1 23 21 5  o 311.1271 1.909258  970.3973       8.376874  886.0997       16.75375  1054.695       16.75375  297.5800 2.814999  324.6742 2.580086  -27.09427      3.818516  
1 1 1 23 21 6  o 277.1804 1.736305  768.7902       6.804423  748.6199       13.60885  788.9604       13.60885  273.5419 2.487525  280.8188 2.423065  -7.276917      3.472610  
1 1 1 23 21 7  o 142.5110 1.447313  203.1987       2.916181  208.5069       5.832363  197.8905       5.832363  144.3734 2.019889  140.6486 2.073381  3.724777       2.894626  
1 1 1 23 21 8  o 136.0297 1.548733  185.3776       2.973361  198.9579       5.946723  171.7974       5.946723  141.0213 2.108448  131.0380 2.269083  9.983307       3.097465  
1 1 1 23 21 9  o 263.3539 1.777279  694.3417       6.613823  726.8534       13.22765  661.8301       13.22765  269.5266 2.453867  257.1813 2.571657  12.34521       3.554558  
1 1 1 23 21 10 o 152.0499 1.645519  231.4695       3.535631  220.9532       7.071262  241.9858       7.071262  148.5917 2.379427  155.5081 2.273600  -6.916382      3.291038  
1 1 1 23 21 11 o 116.4962 1.917782  135.8693       3.159196  133.5058       6.318392  138.2327       6.318392  115.4818 2.735665  117.5106 2.688435  -2.028770      3.835563  
1 1 1 23 21 12 o 176.2691 1.777648  311.5072       4.421922  288.0825       8.843843  334.9320       8.843843  169.6245 2.606889  182.9137 2.417491  -13.28920      3.555296  
1 1 1 23 21 13 o 186.0901 1.845516  346.8731       4.855536  356.2316       9.711073  337.5146       9.711073  188.6047 2.574452  183.5757 2.644979  5.029007       3.691032  
1 1 1 23 21 14 o 23.29696 6.663538  1.724931       3.540397  -2.068011      7.080793  5.517872       7.080793  20.14091 8.907619  26.45300 9.912884  -6.312096      13.32708  
1 1 1 23 21 15 o 164.6557 2.187850  272.0769       5.093787  266.5161       10.18757  277.6376       10.18757  162.9671 3.125654  166.3443 3.062196  -3.377213      4.375700  
1 1 1 23 21 16 o 72.29150 4.890990  54.56880       4.817417  71.00806       9.634833  38.12955       9.634833  83.66162 5.758216  60.92138 7.907596  22.74024       9.781981  
1 1 1 23 21 17 o 24.36931 7.672947  -3.006716      5.341567  -1.381850      10.68313  -4.631582      10.68313  25.22609 11.06424  23.51253 10.63386  1.713568       15.34589  
1 1 1 23 21 18 o 60.81628 6.872853  40.49299       5.570287  28.70437       11.14057  52.28160       11.14057  50.70004 11.28166  70.93251 7.852940  -20.23247      13.74571  
1 1 1 23 21 19 o 24.54683 7.928965  -10.52112      6.556643  2.801821       13.11329  -23.84407      13.11329  29.45672 12.57614  19.63694 9.659945  9.819775       15.85793  
1 1 1 23 21 20 o 53.46019 9.726425  35.73275       7.724069  23.42475       15.44814  48.04075       15.44814  43.37684 14.81767  63.54354 12.60357  -20.16670      19.45285  
1 1 1 23 22 0  o 209.8907 2.986707  440.9533       12.53195  440.9533       12.53195  440.9533       12.53195  209.8907 2.986707  209.8907 2.986707  0.000000       0.000000  
1 1 1 23 22 1  o 230.0178 1.520488  529.6014       4.941307  556.3902       9.882613  502.8125       9.882613  235.8410 2.095185  224.1946 2.204026  11.64642       3.040975  
1 1 1 23 22 2  o 271.5016 1.743275  737.7176       6.690063  765.0020       13.38013  710.4332       13.38013  276.5264 2.419322  266.4769 2.510560  10.04947       3.486550  
1 1 1 23 22 3  o 63.07545 2.331725  40.09273       2.058481  46.70655       4.116962  33.47890       4.116962  68.31824 3.013077  57.83267 3.559374  10.48558       4.663451  
1 1 1 23 22 4  o 344.5198 2.038918  1188.415       9.925499  1131.335       19.85100  1245.495       19.85100  336.2358 2.951946  352.8038 2.813320  -16.56796      4.077837  
1 1 1 23 22 5  o 284.7986 1.850997  811.7419       7.452463  786.4254       14.90493  837.0584       14.90493  280.3539 2.658234  289.2432 2.576539  -8.889252      3.701994  
1 1 1 23 22 6  o 115.4958 1.590810  133.4963       2.596926  138.6139       5.193852  128.3787       5.193852  117.7113 2.206183  113.2803 2.292479  4.431000       3.181620  
1 1 1 23 22 7  o 235.7249 1.606925  556.0043       5.355862  568.8078       10.71172  543.2007       10.71172  238.4407 2.246204  233.0091 2.298564  5.431580       3.213849  
1 1 1 23 22 8  o 141.5109 1.532426  200.4684       3.063896  190.4190       6.127792  210.5178       6.127792  137.9601 2.220856  145.0616 2.112134  -7.101486      3.064852  
1 1 1 23 22 9  o 157.2185 1.650852  247.8182       3.659522  225.7181       7.319043  269.9183       7.319043  150.1900 2.436594  164.2469 2.228061  -14.05692      3.301703  
1 1 1 23 22 10 o 127.4601 1.731564  162.7534       3.116311  152.2037       6.232623  173.3031       6.232623  123.3217 2.526978  131.5985 2.368044  -8.276878      3.463127  
1 1 1 23 22 11 o 73.83273 2.747346  55.18825       2.825646  66.11917       5.651292  44.25734       5.651292  81.23522 3.478351  66.43025 4.253553  14.80497       5.494691  
1 1 1 23 22 12 o 251.1214 1.850341  631.5391       6.570938  639.0535       13.14188  624.0246       13.14188  252.6175 2.601141  249.6252 2.632322  2.992340       3.700683  
1 1 1 23 22 13 o 128.5877 2.094308  165.9031       3.802472  176.6577       7.604944  155.1485       7.604944  132.7696 2.863964  124.4059 3.056504  8.363640       4.188616  
1 1 1 23 22 14 o 81.18948 3.317487  66.51466       3.797706  72.40897       7.595412  60.62035       7.595412  84.81946 4.477400  77.55951 4.896506  7.259949       6.634974  
1 1 1 23 22 15 o 93.28664 3.167835  87.69033       4.178907  86.42761       8.357814  88.95306       8.357814  92.60984 4.512379  93.96344 4.447375  -1.353600      6.335670  
1 1 1 23 22 16 o 50.51752 7.604092  27.97532       5.274857  31.78257       10.54971  24.16809       10.54971  54.24892 10.10026  46.78612 11.36985  7.462803       15.20818  
1 1 1 23 22 17 o 38.14840 7.305555  11.97445       5.413042  31.75397       10.82608  -7.805074      10.82608  54.07692 10.38020  22.21988 10.28280  31.85704       14.61111  
1 1 1 23 22 18 o 158.8994 3.053429  255.8234       6.852073  271.1858       13.70415  240.4611       13.70415  163.7334 4.184897  154.0654 4.447510  9.667984       6.106857  
1 1 1 23 22 19 o 24.54136 8.051609  -8.310163      6.704357  -6.737713      13.40871  -9.882613      13.40871  25.14263 11.56023  23.94008 11.21047  1.202543       16.10322  
1 1 1 23 22 20 o 39.16466 14.67043  17.54474       15.50532  17.54474       15.50532  ?              ?         39.16466 14.67043  ?        ?         ?              ?         
1 1 1 23 23 0  o 337.9065 5.334766  1143.295       36.03295  1143.295       36.03295  1143.295       36.03295  337.9065 5.334766  337.9065 5.334766  0.000000       0.000000  
1 1 1 23 23 1  o 197.5467 2.888653  390.6253       11.40741  390.6253       11.40741  390.6253       11.40741  197.5467 2.888653  197.5467 2.888653  0.000000       0.000000  
1 1 1 23 23 2  o 23.16117 11.35922  7.967083       6.194502  7.967083       6.194502  7.967083       6.194502  23.16117 11.35922  23.16117 11.35922  0.000000       0.000000  
1 1 1 23 23 3  o 243.6880 3.272656  594.4149       15.94370  594.4149       15.94370  594.4149       15.94370  243.6880 3.272656  243.6880 3.272656  0.000000       0.000000  
1 1 1 23 23 4  o 192.4449 3.215901  370.8125       12.36995  370.8125       12.36995  370.8125       12.36995  192.4449 3.215901  192.4449 3.215901  0.000000       0.000000  
1 1 1 23 23 5  o 365.4063 4.296803  1336.764       31.39183  1336.764       31.39183  1336.764       31.39183  365.4063 4.296803  365.4063 4.296803  0.000000       0.000000  
1 1 1 23 23 6  o 164.5086 2.860784  270.9761       9.406114  270.9761       9.406114  270.9761       9.406114  164.5086 2.860784  164.5086 2.860784  0.000000       0.000000  
1 1 1 23 23 7  o 203.4021 3.046978  414.1931       12.38900  414.1931       12.38900  414.1931       12.38900  203.4021 3.046978  203.4021 3.046978  0.000000       0.000000  
1 1 1 23 23 8  o 223.6772 3.405992  500.9446       15.22895  500.9446       15.22895  500.9446       15.22895  223.6772 3.405992  223.6772 3.405992  0.000000       0.000000  
1 1 1 23 23 9  o 59.36857 6.534879  36.60475       7.595412  36.60475       7.595412  36.60475       7.595412  59.36857 6.534879  59.36857 6.534879  0.000000       0.000000  
1 1 1 23 23 10 o 185.9627 3.343710  346.4347       12.42712  346.4347       12.42712  346.4347       12.42712  185.9627 3.343710  185.9627 3.343710  0.000000       0.000000  
1 1 1 23 23 11 o 106.2710 4.442312  113.7215       9.406114  113.7215       9.406114  113.7215       9.406114  106.2710 4.442312  106.2710 4.442312  0.000000       0.000000  
1 1 1 23 23 12 o 125.0187 4.383500  157.1879       10.93091  157.1879       10.93091  157.1879       10.93091  125.0187 4.383500  125.0187 4.383500  0.000000       0.000000  
1 1 1 23 23 13 o 141.0744 4.013068  199.9871       11.30258  199.9871       11.30258  199.9871       11.30258  141.0744 4.013068  141.0744 4.013068  0.000000       0.000000  
1 1 1 23 23 14 o 200.3563 3.975190  403.0143       15.91511  403.0143       15.91511  403.0143       15.91511  200.3563 3.975190  200.3563 3.975190  0.000000       0.000000  
1 1 1 23 23 15 o 52.04528 14.18383  33.22160       12.74161  33.22160       12.74161  33.22160       12.74161  52.04528 14.18383  52.04528 14.18383  0.000000       0.000000  
1 1 1 23 23 16 o 103.2130 6.483719  108.8612       13.27530  108.8612       13.27530  108.8612       13.27530  103.2130 6.483719  103.2130 6.483719  0.000000       0.000000  
1 1 1 23 23 17 o 101.9992 8.756795  108.4228       17.61145  108.4228       17.61145  108.4228       17.61145  101.9992 8.756795  101.9992 8.756795  0.000000       0.000000  
1 1 1 23 23 18 o 20.64246 14.33897  -10.89279      19.45074  -10.89279      19.45074  -10.89279      19.45074  20.64246 14.33897  20.64246 14.33897  0.000000       0.000000  
1 1 1 23 23 19 o 21.80233 14.91357  -5.956253      19.44121  -5.956253      19.44121  -5.956253      19.44121  21.80233 14.91357  21.80233 14.91357  0.000000       0.000000  
1 1 1 24 0  0  o 273.1778 4.364953  746.9141       23.83454  746.9141       23.83454  746.9141       23.83454  273.1778 4.364953  273.1778 4.364953  0.000000       0.000000  
1 1 1 24 0  1  o 62.47257 2.218043  39.17785       2.763701  39.17785       2.763701  39.17785       2.763701  62.47257 2.218043  62.47257 2.218043  0.000000       0.000000  
1 1 1 24 0  2  f 102.3262 2.405801  104.8872       4.917482  104.8872       4.917482  104.8872       4.917482  102.3262 2.405801  102.3262 2.405801  0.000000       0.000000  
1 1 1 24 0  3  o 87.56756 1.901083  76.79277       3.325971  76.79277       3.325971  76.79277       3.325971  87.56756 1.901083  87.56756 1.901083  0.000000       0.000000  
1 1 1 24 0  4  o 63.46248 3.659456  40.68359       4.612522  40.68359       4.612522  40.68359       4.612522  63.46248 3.659456  63.46248 3.659456  0.000000       0.000000  
1 1 1 24 0  5  o 429.1816 5.515558  1843.856       47.32600  1843.856       47.32600  1843.856       47.32600  429.1816 5.515558  429.1816 5.515558  0.000000       0.000000  
1 1 1 24 0  6  o 178.8546 3.071155  320.2367       10.97856  320.2367       10.97856  320.2367       10.97856  178.8546 3.071155  178.8546 3.071155  0.000000       0.000000  
1 1 1 24 0  7  o 155.7529 2.810512  242.8721       8.748544  242.8721       8.748544  242.8721       8.748544  155.7529 2.810512  155.7529 2.810512  0.000000       0.000000  
1 1 1 24 0  8  o 317.2507 4.280852  1007.522       27.15098  1007.522       27.15098  1007.522       27.15098  317.2507 4.280852  317.2507 4.280852  0.000000       0.000000  
1 1 1 24 0  9  o 189.9146 2.849177  361.0061       10.81655  361.0061       10.81655  361.0061       10.81655  189.9146 2.849177  189.9146 2.849177  0.000000       0.000000  
1 1 1 24 0  10 o 185.9380 2.671550  346.0344       9.930264  346.0344       9.930264  346.0344       9.930264  185.9380 2.671550  185.9380 2.671550  0.000000       0.000000  
1 1 1 24 0  11 o 57.64928 3.735061  33.66950       4.269442  33.66950       4.269442  33.66950       4.269442  57.64928 3.735061  57.64928 3.735061  0.000000       0.000000  
1 1 1 24 0  12 o 44.21285 5.941260  20.02254       5.193852  20.02254       5.193852  20.02254       5.193852  44.21285 5.941260  44.21285 5.941260  0.000000       0.000000  
1 1 1 24 0  13 o 52.60497 5.697160  28.67578       5.870482  28.67578       5.870482  28.67578       5.870482  52.60497 5.697160  52.60497 5.697160  0.000000       0.000000  
1 1 1 24 0  14 f 161.4940 3.636258  261.4175       11.73143  261.4175       11.73143  261.4175       11.73143  161.4940 3.636258  161.4940 3.636258  0.000000       0.000000  
1 1 1 24 0  15 o 53.57290 7.704967  29.86703       7.986144  29.86703       7.986144  29.86703       7.986144  53.57290 7.704967  53.57290 7.704967  0.000000       0.000000  
1 1 1 24 0  16 o 77.70644 6.827122  62.05939       10.45441  62.05939       10.45441  62.05939       10.45441  77.70644 6.827122  77.70644 6.827122  0.000000       0.000000  
1 1 1 24 0  17 o 203.4030 4.385275  415.4891       17.82111  415.4891       17.82111  415.4891       17.82111  203.4030 4.385275  203.4030 4.385275  0.000000       0.000000  
1 1 1 24 0  18 o 185.5099 4.472563  346.0344       16.57268  346.0344       16.57268  346.0344       16.57268  185.5099 4.472563  185.5099 4.472563  0.000000       0.000000  
1 1 1 24 0  19 o 72.14295 9.621041  55.92206       13.49448  55.92206       13.49448  55.92206       13.49448  72.14295 9.621041  72.14295 9.621041  0.000000       0.000000  
1 1 1 24 0  20 o 85.45279 9.788389  77.66000       16.35349  77.66000       16.35349  77.66000       16.35349  85.45279 9.788389  85.45279 9.788389  0.000000       0.000000  
1 1 1 24 0  21 o 27.00279 16.70597  8.672303       17.39226  8.672303       17.39226  8.672303       17.39226  27.00279 16.70597  27.00279 16.70597  0.000000       0.000000  
1 1 1 24 1  0  o 113.4146 2.253937  128.7885       5.108082  128.7885       5.108082  128.7885       5.108082  113.4146 2.253937  113.4146 2.253937  0.000000       0.000000  
1 1 1 24 1  1  o 566.1107 3.110688  3206.456       24.90190  3256.936       49.80380  3155.975       49.80380  570.5693 4.364396  561.6522 4.433687  8.917114       6.221377  
1 1 1 24 1  2  o 658.6555 3.465982  4341.813       32.27336  4475.843       64.54671  4207.783       64.54671  668.8300 4.825346  648.4810 4.976762  20.34900       6.931964  
1 1 1 24 1  3  o 320.2124 1.794454  1026.491       8.114799  1089.127       16.22960  963.8550       16.22960  329.9928 2.459083  310.4321 2.614034  19.56073       3.588908  
1 1 1 24 1  4  o 249.2284 1.751142  622.6428       6.151618  564.1572       12.30324  681.1284       12.30324  237.4950 2.590209  260.9617 2.357288  -23.46667      3.502283  
1 1 1 24 1  5  o 282.3940 1.945876  797.9615       7.766953  828.2432       15.53391  767.6799       15.53391  287.7556 2.699149  277.0324 2.803626  10.72318       3.891751  
1 1 1 24 1  6  o 302.9857 2.049522  918.3350       8.781898  920.9319       17.56380  915.7381       17.56380  303.4142 2.894360  302.5571 2.902559  0.8570862      4.099045  
1 1 1 24 1  7  o 265.2822 1.836028  707.0835       6.842543  613.4559       13.68509  800.7109       13.68509  247.6354 2.763153  282.9290 2.418467  -35.29358      3.672056  
1 1 1 24 1  8  o 236.1569 1.778533  558.0580       5.937192  577.4325       11.87438  538.6835       11.87438  240.2590 2.471164  232.0549 2.558529  8.204086       3.557066  
1 1 1 24 1  9  o 300.1819 1.887802  901.7863       8.009969  935.2936       16.01994  868.2787       16.01994  305.7632 2.619664  294.6007 2.718924  11.16241       3.775604  
1 1 1 24 1  10 o 46.19736 1.822119  21.45681       1.181720  24.44446       2.363441  18.46915       2.363441  49.43094 2.390649  42.96378 2.750504  6.467159       3.644239  
1 1 1 24 1  11 o 240.4427 1.589094  578.3616       5.403512  577.8041       10.80702  578.9192       10.80702  240.3268 2.248402  240.5587 2.246235  -0.2318726     3.178188  
1 1 1 24 1  12 o 227.1179 1.611179  516.0688       5.174792  521.3770       10.34958  510.7606       10.34958  228.2865 2.266798  225.9493 2.290245  2.337189       3.222359  
1 1 1 24 1  13 o 75.05521 2.167701  56.52722       2.291966  62.25951       4.583931  50.79492       4.583931  78.87393 2.905860  71.23650 3.217404  7.637436       4.335402  
1 1 1 24 1  14 o 156.9159 1.594697  246.9748       3.526102  271.1096       7.052203  222.8401       7.052203  164.6062 2.142143  149.2256 2.362934  15.38068       3.189394  
1 1 1 24 1  15 o 166.3286 1.882055  276.9848       4.426687  281.0589       8.853374  272.9107       8.853374  167.5533 2.641958  165.1039 2.681153  2.449402       3.764110  
1 1 1 24 1  16 o 154.9331 1.918646  240.4611       4.202732  233.8758       8.405463  247.0463       8.405463  152.8079 2.750336  157.0583 2.675905  -4.250381      3.837293  
1 1 1 24 1  17 o 33.25652 6.626252  11.04051       3.611871  3.545162       7.223743  18.53586       7.223743  24.72288 9.813027  41.79015 8.906926  -17.06728      13.25250  
1 1 1 24 1  18 f 62.29269 5.347212  39.75441       4.688762  44.07627       9.377523  35.43255       9.377523  65.76168 7.129930  58.82370 7.970873  6.937981       10.69442  
1 1 1 24 1  19 o 68.96194 5.457502  49.47501       5.231973  59.63876       10.46395  39.31126       10.46395  76.33105 6.854318  61.59285 8.494448  14.73820       10.91500  
1 1 1 24 1  20 o 70.24526 5.564233  51.97664       5.346332  37.29090       10.69266  66.66238       10.69266  59.79208 8.941540  80.69845 6.625074  -20.90637      11.12847  
1 1 1 24 1  21 o 51.35365 9.445372  30.96298       6.952137  27.89432       13.90427  34.03164       13.90427  48.63789 13.70735  54.06941 12.99880  -5.431522      18.89074  
1 1 1 24 1  22 o 105.9456 4.803826  118.2531       7.090323  95.81466       14.18065  140.6915       14.18065  95.35607 7.435628  116.5352 6.084275  -21.17915      9.607652  
1 1 1 24 2  0  o 902.8677 9.412311  8162.734       169.9200  8162.734       169.9200  8162.734       169.9200  902.8677 9.412311  902.8677 9.412311  0.000000       0.000000  
1 1 1 24 2  1  o 153.0986 1.148901  234.4190       2.487331  230.9787       4.974662  237.8594       4.974662  151.9751 1.636671  154.2222 1.612823  -2.247131      2.297801  
1 1 1 24 2  2  o 509.6713 2.766605  2599.004       19.93677  2662.597       39.87354  2535.410       39.87354  515.9100 3.864389  503.4326 3.960166  12.47739       5.533211  
1 1 1 24 2  3  o 309.1725 1.732613  956.7696       7.566823  903.6064       15.13365  1009.933       15.13365  300.5748 2.517451  317.7701 2.381226  -17.19528      3.465226  
1 1 1 24 2  4  o 160.2519 1.411446  257.1719       3.192551  238.6790       6.385102  275.6649       6.385102  154.4819 2.066618  166.0219 1.922970  -11.53995      2.822893  
1 1 1 24 2  5  o 179.5161 1.461837  322.8194       3.702406  297.1551       7.404812  348.4836       7.404812  172.3679 2.147968  186.6643 1.983458  -14.29639      2.923674  
1 1 1 24 2  6  o 168.7984 1.528108  285.1234       3.645226  272.6343       7.290452  297.6125       7.290452  165.0990 2.207904  172.4978 2.113202  -7.398788      3.056216  
1 1 1 24 2  7  o 69.48755 2.138757  48.31236       2.101366  49.39400       4.202732  47.23070       4.202732  70.26586 2.990593  68.70924 3.058345  1.556618       4.277513  
1 1 1 24 2  8  o 225.1879 1.752273  507.2963       5.579817  515.4207       11.15963  499.1721       11.15963  226.9918 2.458158  223.3840 2.497859  3.607803       3.504545  
1 1 1 24 2  9  o 321.3428 1.923467  1033.238       8.739014  1006.921       17.47803  1059.555       17.47803  317.2479 2.754632  325.4377 2.685311  -8.189728      3.846933  
1 1 1 24 2  10 o 100.8716 1.537131  102.4046       2.172841  118.2769       4.345681  86.53243       4.345681  108.7392 1.998213  93.00411 2.336285  15.73507       3.074261  
1 1 1 24 2  11 o 324.2749 1.941467  1053.118       8.891494  990.1769       17.78299  1116.059       17.78299  314.5700 2.826555  333.9797 2.662285  -19.40973      3.882934  
1 1 1 24 2  12 o 153.8404 1.399240  237.9547       3.021011  271.7576       6.042023  204.1517       6.042023  164.8268 1.832840  142.8540 2.114754  21.97273       2.798480  
1 1 1 24 2  13 o 123.8765 1.599655  153.5474       2.801821  157.1498       5.603642  149.9451       5.603642  125.3305 2.235546  122.4225 2.288649  2.908012       3.199310  
1 1 1 24 2  14 o 138.7078 1.634875  192.7253       3.202081  180.4030       6.404162  205.0476       6.404162  134.2660 2.384879  143.1496 2.236877  -8.883636      3.269751  
1 1 1 24 2  15 o 98.13358 2.227631  96.73430       3.078191  86.38948       6.156383  107.0791       6.156383  92.86279 3.314773  103.4044 2.976849  -10.54156      4.455261  
1 1 1 24 2  16 o 94.68328 2.644055  89.91559       3.540397  89.33426       7.080793  90.49691       7.080793  94.37630 3.751362  94.99026 3.727115  -0.6139679     5.288110  
1 1 1 24 2  17 o 27.70031 6.578996  4.345683       3.745291  14.35219       7.490582  -5.660822      7.490582  36.72483 9.951213  18.67579 8.608490  18.04904       13.15799  
1 1 1 24 2  18 o 92.74066 3.649046  86.95175       4.779297  92.17419       9.558595  81.72931       9.558595  95.55627 5.001553  89.92504 5.314756  5.631233       7.298093  
1 1 1 24 2  19 o 58.78409 5.943815  37.52439       4.531517  23.49146       9.063033  51.55732       9.063033  46.48505 10.03373  71.08314 6.374953  -24.59809      11.88763  
1 1 1 24 2  20 o 39.66119 8.851463  16.99676       5.646527  20.94695       11.29305  13.04657       11.29305  43.33987 12.39822  35.98252 12.63637  7.357353       17.70293  
1 1 1 24 2  21 o 93.63811 5.030535  91.36891       6.618587  79.84237       13.23717  102.8954       13.23717  87.48328 7.565546  99.79295 6.632320  -12.30966      10.06107  
1 1 1 24 2  22 o 92.33812 6.064235  93.57033       7.547763  63.14580       15.09553  123.9949       15.09553  75.86359 9.949124  108.8127 6.936476  -32.94906      12.12847  
1 1 1 24 3  0  o 98.10514 1.973737  96.36740       3.869182  96.36740       3.869182  96.36740       3.869182  98.10514 1.973737  98.10514 1.973737  0.000000       0.000000  
1 1 1 24 3  1  o 344.5952 1.951694  1187.696       9.510945  1198.064       19.02189  1177.327       19.02189  346.0997 2.748036  343.0907 2.772137  3.008942       3.903389  
1 1 1 24 3  2  o 743.5861 3.935737  5536.747       41.35069  5266.337       82.70137  5807.155       82.70137  725.4033 5.700372  761.7688 5.428246  -36.36548      7.871474  
1 1 1 24 3  3  o 189.8233 1.212763  361.5016       3.240201  320.9038       6.480402  402.0995       6.480402  179.1298 1.808857  200.5169 1.615924  -21.38716      2.425526  
1 1 1 24 3  4  o 66.03647 1.556908  43.72366       1.448561  48.07887       2.897121  39.36845       2.897121  69.33405 2.089249  62.73889 2.308872  6.595158       3.113816  
1 1 1 24 3  5  o 112.1639 1.741676  126.2392       2.749406  111.9680       5.498813  140.5104       5.498813  105.8022 2.598629  118.5257 2.319671  -12.72350      3.483353  
1 1 1 24 3  6  o 431.7679 2.810253  1865.608       17.15877  1888.484       34.31755  1842.731       34.31755  434.4171 3.949838  429.1187 3.998608  5.298401       5.620506  
1 1 1 24 3  7  o 108.8442 1.597044  118.6390       2.453976  126.7681       4.907952  110.5099       4.907952  112.5785 2.179791  105.1099 2.334676  7.468552       3.194088  
1 1 1 24 3  8  o 347.1248 2.180874  1205.874       10.70220  1168.302       21.40439  1243.446       21.40439  341.7129 3.131926  352.5367 3.035768  -10.82379      4.361748  
1 1 1 24 3  9  o 396.3440 2.309330  1572.484       12.93698  1512.145       25.87396  1632.823       25.87396  388.7320 3.327995  403.9560 3.202572  -15.22397      4.618660  
1 1 1 24 3  10 o 269.1537 1.780623  724.9139       6.775833  704.8772       13.55167  744.9509       13.55167  265.4315 2.552762  272.8759 2.483119  -7.444397      3.561246  
1 1 1 24 3  11 o 139.6470 1.278404  195.5176       2.515921  176.6958       5.031842  214.3393       5.031842  132.9079 1.892981  146.3860 1.718690  -13.47809      2.556809  
1 1 1 24 3  12 o 310.3007 1.874171  963.4644       8.224394  959.2330       16.44879  967.6957       16.44879  309.6189 2.656296  310.9825 2.644648  -1.363617      3.748342  
1 1 1 24 3  13 o 107.9842 1.667244  116.7139       2.544511  111.9680       5.089022  121.4599       5.089022  105.7867 2.405323  110.1817 2.309377  -4.395027      3.334487  
1 1 1 24 3  14 o 204.9743 1.787664  421.6455       5.160498  465.9124       10.32100  377.3786       10.32100  215.7724 2.391639  194.1761 2.657637  21.59630       3.575328  
1 1 1 24 3  15 o 87.96295 2.464770  77.72671       3.054366  69.89305       6.108732  85.56037       6.108732  83.51014 3.657480  92.41577 3.305027  -8.905632      4.929540  
1 1 1 24 3  16 o 83.49757 2.834113  69.97881       3.345031  67.50101       6.690063  72.45661       6.690063  82.01381 4.078619  84.98132 3.936196  -2.967514      5.668225  
1 1 1 24 3  17 o 148.9932 2.273182  223.5834       4.760237  195.0792       9.520474  252.0877       9.520474  139.4276 3.414129  158.5588 3.002190  -19.13124      4.546364  
1 1 1 24 3  18 o 44.23027 6.895305  21.01366       4.197967  21.32815       8.395933  20.69917       8.395933  44.57758 9.688143  43.88296 9.814318  0.6946220      13.79061  
1 1 1 24 3  19 o 26.10610 7.692208  1.234135       4.888892  -3.983541      9.777783  6.451812       9.777783  22.67952 10.21962  29.53268 11.49955  -6.853159      15.38442  
1 1 1 24 3  20 o 69.60824 5.715118  50.54238       5.555993  59.39098       11.11199  41.69377       11.11199  75.96424 7.313957  63.25223 8.783868  12.71201       11.43024  
1 1 1 24 3  21 o 96.60310 4.672777  97.49671       6.265977  76.71654       12.53195  118.2769       12.53195  85.84766 7.298951  107.3585 5.836497  -21.51088      9.345553  
1 1 1 24 3  22 f 25.00333 8.006759  -13.00846      6.861602  7.033143       13.72320  -33.05005      13.72320  31.80083 13.18087  18.20583 9.093803  13.59500       16.01352  
1 1 1 24 4  0  o 630.2307 6.691425  3975.375       84.32147  3975.375       84.32147  3975.375       84.32147  630.2307 6.691425  630.2307 6.691425  0.000000       0.000000  
1 1 1 24 4  1  f 412.3713 2.298272  1705.704       13.34677  1885.854       26.69354  1525.553       26.69354  434.2145 3.073773  390.5281 3.417621  43.68646       4.596544  
1 1 1 24 4  2  f 364.2054 2.028439  1327.382       10.44012  1268.786       20.88024  1385.977       20.88024  356.1611 2.931291  372.2496 2.804602  -16.08850      4.056878  
1 1 1 24 4  3  o 188.9607 1.463160  357.5610       3.902537  383.0680       7.805074  332.0539       7.805074  195.7100 1.994040  182.2114 2.141763  13.49861       2.926320  
1 1 1 24 4  4  o 341.4954 2.158034  1166.987       10.41629  1212.207       20.83259  1121.767       20.83259  348.1163 2.992188  334.8746 3.110506  13.24173       4.316068  
1 1 1 24 4  5  o 694.0931 3.933146  4823.249       38.60605  4773.293       77.21210  4873.205       77.21210  690.4945 5.591072  697.6918 5.533395  -7.197327      7.866292  
1 1 1 24 4  6  o 382.8651 2.281945  1466.548       12.35565  1469.031       24.71130  1464.066       24.71130  383.1893 3.224424  382.5409 3.229890  0.6483765      4.563891  
1 1 1 24 4  7  o 215.0952 1.441562  462.8437       4.383801  449.8638       8.767603  475.8236       8.767603  212.0780 2.067070  218.1125 2.009881  -6.034470      2.883124  
1 1 1 24 4  8  o 162.4329 1.448850  264.7816       3.311677  234.3714       6.623353  295.1919       6.623353  153.0721 2.163475  171.7938 1.927704  -18.72171      2.897700  
1 1 1 24 4  9  o 387.5374 2.259696  1502.829       12.38424  1491.579       24.76848  1514.079       24.76848  386.0859 3.207639  388.9889 3.183700  -2.902985      4.519391  
1 1 1 24 4  10 o 203.8332 1.500407  415.8275       4.321856  434.4919       8.643713  397.1629       8.643713  208.4115 2.073713  199.2548 2.169010  9.156769       3.000815  
1 1 1 24 4  11 o 342.9160 2.001490  1176.670       9.706309  1180.834       19.41262  1172.505       19.41262  343.5232 2.825518  342.3087 2.835542  1.214447       4.002981  
1 1 1 24 4  12 o 226.4604 1.590522  513.0811       5.093787  516.2308       10.18757  509.9314       10.18757  227.1558 2.242420  225.7650 2.256234  1.390823       3.181044  
1 1 1 24 4  13 o 28.66257 5.163424  8.577003       2.134721  6.356512       4.269442  10.79749       4.269442  25.15139 7.736552  32.17376 6.840290  -7.022369      10.32685  
1 1 1 24 4  14 f 375.4074 2.511359  1411.565       13.33247  1425.460       26.66495  1397.670       26.66495  377.2580 3.534047  373.5568 3.569063  3.701263       5.022718  
1 1 1 24 4  15 o 94.14561 2.503123  89.19130       3.311677  100.7035       6.623353  77.67906       6.623353  100.2597 3.303099  88.03156 3.761920  12.22812       5.006247  
1 1 1 24 4  16 o 56.22770 4.250519  32.96905       3.202081  44.93397       6.404162  21.00413       6.404162  66.86740 4.788703  45.58799 7.023957  21.27941       8.501039  
1 1 1 24 4  17 o 111.6347 2.629896  125.2719       4.145552  117.2762       8.291104  133.2676       8.291104  108.0536 3.836571  115.2159 3.598072  -7.162354      5.259791  
1 1 1 24 4  18 o 65.23245 4.353288  43.18998       4.012132  45.35329       8.024263  41.02666       8.024263  66.89061 5.998049  63.57430 6.310933  3.316311       8.706576  
1 1 1 24 4  19 f 81.83534 5.303122  70.42196       5.903837  91.91689       11.80767  48.92704       11.80767  94.96838 6.216636  68.70231 8.593361  26.26607       10.60624  
1 1 1 24 4  20 o 47.96793 8.614096  25.87873       6.065848  34.95605       12.13170  16.80140       12.13170  56.39529 11.15276  39.54057 13.13113  16.85472       17.22819  
1 1 1 24 4  21 o 25.79445 8.174518  -3.916832      6.280273  1.772581       12.56055  -9.606244      12.56055  28.38997 12.22002  23.19893 10.86103  5.191042       16.34904  
1 1 1 24 4  22 o 29.25934 12.77816  1.906001       14.12347  1.906001       14.12347  ?              ?         29.25934 12.77816  ?        ?         ?              ?         
1 1 1 24 5  0  o 421.8979 4.547102  1781.053       38.35827  1781.053       38.35827  1781.053       38.35827  421.8979 4.547102  421.8979 4.547102  0.000000       0.000000  
1 1 1 24 5  1  o 805.3311 4.285667  6493.006       48.79362  6686.451       97.58724  6299.562       97.58724  817.3414 5.969797  793.3208 6.150554  24.02057       8.571335  
1 1 1 24 5  2  o 330.0493 1.853655  1091.033       8.634183  1172.067       17.26837  1009.999       17.26837  342.3253 2.522216  317.7733 2.717088  24.55200       3.707309  
1 1 1 24 5  3  o 479.0818 2.526338  2296.993       17.10636  2388.457       34.21271  2205.529       34.21271  488.6276 3.500899  469.5360 3.643247  19.09161       5.052677  
1 1 1 24 5  4  o 524.9044 2.882318  2756.906       21.39486  2720.940       42.78971  2792.873       42.78971  521.4785 4.102731  528.3304 4.049523  -6.851929      5.764637  
1 1 1 24 5  5  o 272.4598 1.872890  743.6833       7.199918  685.4551       14.39984  801.9117       14.39984  261.7742 2.750431  283.1455 2.542833  -21.37134      3.745781  
1 1 1 24 5  6  o 177.5769 1.330172  315.7005       3.335501  335.5895       6.671002  295.8113       6.671002  183.1770 1.820917  171.9767 1.939507  11.20029       2.660343  
1 1 1 24 5  7  o 68.78675 1.517783  47.51660       1.467621  41.52223       2.935241  53.51097       2.935241  64.42953 2.277869  73.14397 2.006482  -8.714432      3.035566  
1 1 1 24 5  8  o 547.1597 3.226258  2997.429       24.96385  3027.739       49.92769  2967.119       49.92769  549.9295 4.539463  544.3900 4.585655  5.539551       6.452516  
1 1 1 24 5  9  o 183.5740 1.394663  337.9244       3.607106  304.1501       7.214212  371.6987       7.214212  174.3749 2.068593  192.7731 1.871167  -18.39821      2.789326  
1 1 1 24 5  10 o 223.0924 1.513446  497.8999       4.774532  490.5093       9.549064  505.2903       9.549064  221.4360 2.156168  224.7488 2.124386  -3.312775      3.026892  
1 1 1 24 5  11 o 214.9279 1.461108  462.1051       4.440981  458.2598       8.881963  465.9505       8.881963  214.0334 2.074902  215.8225 2.057701  -1.789139      2.922217  
1 1 1 24 5  12 o 178.3378 1.463009  319.3647       3.669051  280.3537       7.338103  358.3758       7.338103  167.4004 2.191781  189.2753 1.938474  -21.87482      2.926019  
1 1 1 24 5  13 o 83.70259 2.039473  70.73169       2.382501  83.87356       4.765002  57.58981       4.765002  91.55293 2.602321  75.85225 3.140976  15.70068       4.078947  
1 1 1 24 5  14 o 103.7389 2.165710  107.9368       3.168726  98.80709       6.337452  117.0666       6.337452  99.33859 3.189824  108.1393 2.930227  -8.800690      4.331421  
1 1 1 24 5  15 o 51.41090 4.078595  26.95562       2.901886  20.61340       5.803772  33.29784       5.803772  45.24274 6.414037  57.57907 5.039829  -12.33632      8.157189  
1 1 1 24 5  16 o 56.29224 4.894242  34.77022       3.373621  17.24931       6.747242  52.29113       6.747242  40.44661 8.599044  72.13788 4.676630  -31.69127      9.788485  
1 1 1 24 5  17 o 74.17484 3.902374  55.58375       4.088372  58.78106       8.176744  52.38644       8.176744  76.33009 5.356173  72.01958 5.676750  4.310509       7.804748  
1 1 1 24 5  18 o 49.06363 6.954041  26.70307       4.841242  10.89279       9.682484  42.51335       9.682484  33.60777 11.71033  64.51949 7.503534  -30.91172      13.90808  
1 1 1 24 5  19 o 124.8060 3.120847  157.2546       5.508343  156.7209       11.01669  157.7883       11.01669  124.5922 4.421098  125.0198 4.405977  -0.4276047     6.241693  
1 1 1 24 5  20 o 38.44306 8.681403  15.61491       5.532167  21.65217       11.06433  9.577654       11.06433  43.97574 12.17406  32.91038 12.37980  11.06536       17.36281  
1 1 1 24 5  21 o 42.13368 8.727843  18.38814       6.623353  1.134070       13.24671  35.64222       13.24671  28.65642 12.44438  55.61094 12.24085  -26.95452      17.45569  
1 1 1 24 5  22 o 59.41722 8.672239  41.86054       7.047437  37.50056       14.09487  46.22052       14.09487  55.76134 12.88719  63.07310 11.60824  -7.311760      17.34448  
1 1 1 24 6  0  o 298.7798 3.552792  893.2187       21.22332  893.2187       21.22332  893.2187       21.22332  298.7798 3.552792  298.7798 3.552792  0.000000       0.000000  
1 1 1 24 6  1  o 327.3853 2.021864  1072.245       9.358463  1101.545       18.71693  1042.945       18.71693  331.8602 2.820002  322.9105 2.898160  8.949707       4.043729  
1 1 1 24 6  2  o 533.0811 2.872511  2843.396       21.65217  2901.715       43.30434  2785.077       43.30434  538.5511 4.020448  527.6111 4.103812  10.93994       5.745021  
1 1 1 24 6  3  o 394.9915 2.205733  1563.397       12.28894  1693.987       24.57788  1432.807       24.57788  411.5222 2.986215  378.4608 3.247084  33.06146       4.411467  
1 1 1 24 6  4  o 350.9922 2.059422  1233.592       10.20663  1312.911       20.41327  1154.274       20.41327  362.2914 2.817245  339.6931 3.004663  22.59830       4.118844  
1 1 1 24 6  5  o 359.3472 2.195199  1291.883       11.15487  1271.998       22.30974  1311.767       22.30974  356.5805 3.128289  362.1140 3.080486  -5.533447      4.390398  
1 1 1 24 6  6  o 221.1756 1.558934  489.4039       4.874598  474.9945       9.749194  503.8132       9.749194  217.9182 2.236893  224.4330 2.171960  -6.514893      3.117868  
1 1 1 24 6  7  o 180.1281 1.388102  324.5490       3.535631  330.2813       7.071262  318.8167       7.071262  181.7192 1.945656  178.5369 1.980337  3.182358       2.776205  
1 1 1 24 6  8  o 335.6762 2.124382  1128.586       10.06845  1054.419       20.13690  1202.753       20.13690  324.6288 3.101527  346.7237 2.903883  -22.09488      4.248765  
1 1 1 24 6  9  o 229.3169 1.530188  526.1754       4.960367  543.7534       9.920734  508.5972       9.920734  233.1496 2.127547  225.4841 2.199874  7.665421       3.060376  
1 1 1 24 6  10 f 241.8670 1.563784  585.4043       5.346332  564.2715       10.69266  606.5371       10.69266  237.4983 2.251103  246.2357 2.171226  -8.737350      3.127569  
1 1 1 24 6  11 o 85.27026 2.044683  74.70093       2.368206  98.49259       4.736412  50.90928       4.736412  99.22100 2.386799  71.31953 3.320557  27.90147       4.089365  
1 1 1 24 6  12 o 237.2129 1.672364  565.0386       5.579817  632.8113       11.15963  497.2661       11.15963  251.4981 2.218632  222.9277 2.502972  28.57040       3.344727  
1 1 1 24 6  13 f 99.85397 1.906268  100.5987       2.658871  82.51077       5.317742  118.6867       5.317742  90.79676 2.928377  108.9112 2.441321  -18.11441      3.812537  
1 1 1 24 6  14 o 357.9273 2.225434  1282.757       11.26446  1270.902       22.52893  1294.613       22.52893  356.2712 3.161767  359.5834 3.132643  -3.312195      4.450867  
1 1 1 24 6  15 o 240.5350 1.803054  579.2908       6.132557  568.1597       12.26511  590.4219       12.26511  238.2211 2.574313  242.8488 2.525258  -4.627640      3.606108  
1 1 1 24 6  16 f 133.6659 2.273634  179.4833       4.283737  196.2418       8.567473  162.7248       8.567473  139.9347 3.061240  127.3971 3.362508  12.53759       4.547268  
1 1 1 24 6  17 o 21.53805 6.386855  -7.285688      4.069312  7.137973       8.138623  -21.70935      8.138623  29.02032 10.67289  14.05578 7.018334  14.96453       12.77371  
1 1 1 24 6  18 o 78.57722 4.134778  63.21253       4.517222  50.07064       9.034444  76.35439       9.034444  70.21482 6.433431  86.93961 5.195816  -16.72479      8.269555  
1 1 1 24 6  19 o 89.82732 3.940387  82.82050       4.917482  65.27100       9.834964  100.3700       9.834964  80.05885 6.142334  99.59578 4.937440  -19.53693      7.880773  
1 1 1 24 6  20 o 44.19964 7.509490  19.68422       5.880013  -0.9053504     11.76003  40.27380       11.76003  26.55008 11.62697  61.84920 9.507015  -35.29912      15.01898  
1 1 1 24 6  21 o 52.59913 8.999175  32.28765       6.632883  29.60019       13.26577  34.97511       13.26577  50.17762 13.08479  55.02063 12.35835  -4.843014      17.99835  
1 1 1 24 6  22 o 23.14651 11.10376  -15.73404      14.77151  -15.73404      14.77151  ?              ?         23.14651 11.10376  ?        ?         ?              ?         
1 1 1 24 7  0  o 385.7472 4.259126  1488.930       32.84993  1488.930       32.84993  1488.930       32.84993  385.7472 4.259126  385.7472 4.259126  0.000000       0.000000  
1 1 1 24 7  1  o 182.0269 1.429306  331.4250       3.678581  323.4102       7.357163  339.4397       7.357163  179.8253 2.045641  184.2284 1.996751  -4.403046      2.858612  
1 1 1 24 7  2  o 97.25566 1.280153  96.93443       1.696341  126.6823       3.392681  67.18652       3.392681  112.5493 1.507197  81.96199 2.069667  30.58733       2.560306  
1 1 1 24 7  3  o 411.6555 2.287763  1695.230       13.31818  1711.522       26.63636  1678.939       26.63636  413.6343 3.219796  409.6767 3.250900  3.957581       4.575526  
1 1 1 24 7  4  o 220.6621 1.465857  486.9928       4.574402  487.1357       9.148804  486.8498       9.148804  220.6945 2.072730  220.6297 2.073339  0.6475830E-01  2.931714  
1 1 1 24 7  5  o 451.6080 2.504012  2041.089       15.98658  1977.685       31.97316  2104.492       31.97316  444.5883 3.595817  458.6277 3.485742  -14.03943      5.008023  
1 1 1 24 7  6  o 486.8168 2.701673  2371.732       18.59780  2329.495       37.19561  2413.969       37.19561  482.4787 3.854636  491.1549 3.786545  -8.676178      5.403346  
1 1 1 24 7  7  o 223.6519 1.579625  500.4968       4.993722  482.2278       9.987444  518.7657       9.987444  219.5676 2.274344  227.7361 2.192767  -8.168488      3.159251  
1 1 1 24 7  8  o 380.9891 2.184564  1453.183       11.76003  1382.699       23.52005  1523.667       23.52005  371.7390 3.163517  390.2392 3.013543  -18.50021      4.369128  
1 1 1 24 7  9  o 292.1046 1.800684  854.4030       7.428638  803.4174       14.85728  905.3885       14.85728  283.3773 2.621466  300.8318 2.469366  -17.45453      3.601368  
1 1 1 24 7  10 o 54.86394 2.287215  30.14817       1.772581  31.82068       3.545162  28.47565       3.545162  56.38818 3.143533  53.33970 3.323193  3.048481       4.574430  
1 1 1 24 7  11 o 239.7259 1.707958  575.3264       5.784712  545.9548       11.56942  604.6978       11.56942  233.5999 2.476334  245.8520 2.352925  -12.25214      3.415916  
1 1 1 24 7  12 o 115.3001 1.689220  133.0246       2.754171  135.1069       5.508343  130.9423       5.508343  116.2031 2.370135  114.3971 2.407552  1.805984       3.378439  
1 1 1 24 7  13 o 114.1495 1.715095  130.3895       2.768466  132.3813       5.536932  128.3978       5.536932  115.0220 2.406902  113.2771 2.443977  1.744873       3.430190  
1 1 1 24 7  14 o 145.6000 1.694773  212.6096       3.478451  192.9444       6.956903  232.2748       6.956903  138.8468 2.505244  152.3531 2.283150  -13.50629      3.389546  
1 1 1 24 7  15 o 68.59972 3.484822  48.76027       3.221142  65.61407       6.442283  31.90645       6.442283  80.88389 3.982426  56.31554 5.719809  24.56834       6.969644  
1 1 1 24 7  16 o 45.59685 6.134156  22.28591       3.807237  13.38013       7.614474  31.19170       7.614474  35.66396 10.17368  55.52974 6.856212  -19.86578      12.26831  
1 1 1 24 7  17 o 44.67546 5.845249  22.38122       3.578516  36.80487       7.157033  7.957553       7.157033  60.31098 5.933441  29.03995 10.07283  31.27103       11.69050  
1 1 1 24 7  18 o 93.29218 3.071165  87.88094       4.035956  96.81532       8.071913  78.94656       8.071913  98.08057 4.114940  88.50380 4.560207  9.576767       6.142331  
1 1 1 24 7  19 o 109.4424 3.299000  121.0835       5.103317  125.5864       10.20663  116.5805       10.20663  111.4996 4.576984  107.3851 4.752349  4.114433       6.598000  
1 1 1 24 7  20 o 110.1202 3.843690  123.4517       5.984842  126.1010       11.96968  120.8023       11.96968  111.3232 5.376098  108.9173 5.494850  2.405853       7.687379  
1 1 1 24 7  21 o 67.48199 7.913715  51.60498       7.118913  35.81376       14.23783  67.39619       14.23783  55.32162 13.06174  79.64236 8.938601  -24.32074      15.82743  
1 1 1 24 7  22 o 30.15244 13.04803  3.325971       14.46655  3.325971       14.46655  ?              ?         30.15244 13.04803  ?        ?         ?              ?         
1 1 1 24 8  0  o 177.4806 2.729203  315.2525       9.682484  315.2525       9.682484  315.2525       9.682484  177.4806 2.729203  177.4806 2.729203  0.000000       0.000000  
1 1 1 24 8  1  o 307.0283 1.758379  942.9606       7.633533  922.0279       15.26707  963.8932       15.26707  303.6193 2.514179  310.4372 2.458962  -6.817841      3.516759  
1 1 1 24 8  2  o 293.3443 1.737791  862.1794       7.190388  790.2661       14.38078  934.0928       14.38078  281.0868 2.558067  305.6018 2.352862  -24.51501      3.475581  
1 1 1 24 8  3  o 309.0408 1.905767  955.6592       8.324459  992.6738       16.64892  918.6447       16.64892  315.0294 2.642438  303.0522 2.746873  11.97723       3.811534  
1 1 1 24 8  4  o 183.4434 1.502627  338.5248       3.864417  287.2534       7.728833  389.7962       7.728833  169.4687 2.280313  197.4181 1.957478  -27.94943      3.005254  
1 1 1 24 8  5  f 250.2790 1.508365  626.6835       5.336802  606.7563       10.67360  646.6108       10.67360  246.2980 2.166807  254.2601 2.098954  -7.962036      3.016730  
1 1 1 24 8  6  o 173.4672 1.415565  301.4579       3.464156  277.1325       6.928313  325.7832       6.928313  166.4557 2.081128  180.4787 1.919427  -14.02303      2.831130  
1 1 1 24 8  7  o 575.9539 3.169603  3322.440       25.79772  3173.968       51.59544  3470.913       51.59544  563.0646 4.581663  588.8432 4.381085  -25.77856      6.339207  
1 1 1 24 8  8  o 289.9897 1.760267  841.2468       7.218978  842.5095       14.43796  839.9840       14.43796  290.2075 2.487523  289.7720 2.491261  0.4354248      3.520533  
1 1 1 24 8  9  o 265.6852 1.628343  706.1591       6.118262  706.1923       12.23652  706.1257       12.23652  265.6914 2.302770  265.6789 2.302879  0.1254272E-01  3.256685  
1 1 1 24 8  10 o 259.5327 1.679812  674.1906       6.161148  644.9907       12.32230  703.3905       12.32230  253.9073 2.426535  265.1582 2.323574  -11.25095      3.359623  
1 1 1 24 8  11 o 170.5530 1.565419  291.0940       3.773881  280.4871       7.547763  301.7009       7.547763  167.4434 2.253825  173.6625 2.173112  -6.219101      3.130837  
1 1 1 24 8  12 o 193.5970 1.493301  374.9723       4.088372  371.9275       8.176744  378.0172       8.176744  192.8107 2.120408  194.3834 2.103251  -1.572769      2.986602  
1 1 1 24 8  13 f 130.0483 1.734937  170.5299       3.154431  140.9678       6.308862  200.0920       6.308862  118.6824 2.657875  141.4141 2.230635  -22.73163      3.469875  
1 1 1 24 8  14 o 151.7919 1.709562  230.6309       3.669051  225.0796       7.338103  236.1821       7.338103  149.9633 2.446633  153.6204 2.388388  -3.657135      3.419124  
1 1 1 24 8  15 o 196.6889 1.832975  388.0952       5.084257  354.5638       10.16851  421.6264       10.16851  188.1649 2.702022  205.2128 2.477553  -17.04790      3.665950  
1 1 1 24 8  16 o 73.30073 3.480502  54.08277       3.607106  52.71045       7.214212  55.45509       7.214212  72.36464 4.984626  74.23682 4.858918  -1.872177      6.961004  
1 1 1 24 8  17 f 52.61436 5.233001  28.25646       3.883476  30.58178       7.766953  25.93114       7.766953  54.82414 7.083516  50.40459 7.704610  4.419556       10.46600  
1 1 1 24 8  18 o 38.68224 7.571088  14.81439       4.993722  2.096601       9.987444  27.53218       9.987444  26.73208 11.17235  50.63239 10.22077  -23.90031      15.14218  
1 1 1 24 8  19 o 38.43072 7.927335  14.49990       5.312977  1.896471       10.62595  27.10333       10.62595  27.12823 11.43997  49.73321 10.97715  -22.60498      15.85467  
1 1 1 24 8  20 o 28.10504 8.238953  1.329435       5.727532  -6.861602      11.45506  9.520474       11.45506  23.25490 10.68919  32.95518 12.54044  -9.700279      16.47791  
1 1 1 24 8  21 o 46.37648 9.164624  24.64936       6.890193  10.65454       13.78039  38.64417       13.78039  34.75205 13.62720  58.00091 12.25809  -23.24886      18.32925  
1 1 1 24 8  22 o 36.60485 14.36691  13.77085       15.32425  13.77085       15.32425  ?              ?         36.60485 14.36691  ?        ?         ?              ?         
1 1 1 24 9  0  o 198.3993 2.582834  393.8655       10.24475  393.8655       10.24475  393.8655       10.24475  198.3993 2.582834  198.3993 2.582834  0.000000       0.000000  
1 1 1 24 9  1  o 205.8414 1.308758  425.0096       3.792941  378.8844       7.585882  471.1348       7.585882  194.6373 1.948722  217.0455 1.747533  -22.40813      2.617516  
1 1 1 24 9  2  o 268.8922 1.592634  723.1558       6.056317  721.6976       12.11263  724.6138       12.11263  268.6211 2.254595  269.1633 2.250053  -0.5422363     3.185269  
1 1 1 24 9  3  o 536.5087 3.205018  2880.701       24.31580  2922.061       48.63161  2839.341       48.63161  540.3633 4.499899  532.6541 4.565027  7.709167       6.410036  
1 1 1 24 9  4  o 458.9129 2.528094  2110.515       16.36778  1941.538       32.73557  2279.491       32.73557  440.5024 3.715708  477.3234 3.429076  -36.82104      5.056189  
1 1 1 24 9  5  o 289.0255 1.726532  835.6004       7.056968  841.3563       14.11394  829.8442       14.11394  290.0213 2.433259  288.0298 2.450083  1.991547       3.453064  
1 1 1 24 9  6  o 540.3268 2.943167  2922.342       22.48604  2984.292       44.97209  2860.393       44.97209  546.0594 4.117875  534.5942 4.206190  11.46521       5.886334  
1 1 1 24 9  7  o 77.98231 1.656731  60.87767       1.824996  64.25129       3.649991  57.50404       3.649991  80.14538 2.277107  75.81924 2.407035  4.326141       3.313462  
1 1 1 24 9  8  o 291.2810 1.708030  849.7380       7.023612  907.7711       14.04722  791.7051       14.04722  301.2427 2.331546  281.3193 2.496669  19.92337       3.416060  
1 1 1 24 9  9  o 179.0561 1.385407  320.7704       3.507041  330.1860       7.014082  311.3548       7.014082  181.6853 1.930283  176.4268 1.987816  5.258484       2.770813  
1 1 1 24 9  10 o 56.89190 2.240104  32.40678       1.801171  31.06781       3.602341  33.74574       3.602341  55.71514 3.232821  58.06866 3.101795  -2.353523      4.480208  
1 1 1 24 9  11 f 370.4835 2.157223  1373.631       11.30258  1377.076       22.60517  1370.186       22.60517  370.9484 3.046943  370.0185 3.054600  0.9299011      4.314445  
1 1 1 24 9  12 o 210.8584 1.622916  445.0273       4.836477  463.2249       9.672954  426.8298       9.672954  215.1735 2.247710  206.5433 2.341629  8.630219       3.245832  
1 1 1 24 9  13 o 227.6559 1.788394  519.0612       5.751357  490.7285       11.50271  547.3939       11.50271  221.4332 2.597332  233.8787 2.459120  -12.44542      3.576787  
1 1 1 24 9  14 o 80.40311 2.552024  64.91362       2.892356  58.87636       5.784712  70.95087       5.784712  76.64874 3.773521  84.15748 3.436838  -7.508736      5.104049  
1 1 1 24 9  15 o 91.86963 2.734725  84.70743       3.549927  88.79105       7.099854  80.62384       7.099854  94.09213 3.772820  89.64713 3.959888  4.445000       5.469450  
1 1 1 24 9  16 o 161.4137 2.027670  261.2222       4.626817  269.6515       9.253633  252.7929       9.253633  164.0248 2.820803  158.8027 2.913564  5.222168       4.055340  
1 1 1 24 9  17 o 50.82150 5.796700  27.71802       3.888242  37.65305       7.776483  17.78299       7.776483  60.92717 6.381786  40.71583 9.678829  20.21133       11.59340  
1 1 1 24 9  18 o 53.43208 6.830997  31.46807       4.879362  45.54389       9.758724  17.39226       9.758724  66.76585 7.308171  40.09832 11.54299  26.66753       13.66199  
1 1 1 24 9  19 o 204.3473 2.388291  420.4066       6.890193  448.5487       13.78039  392.2645       13.78039  211.2332 3.261890  197.4614 3.489387  13.77171       4.776583  
1 1 1 24 9  20 o 64.45497 6.495173  43.96191       5.884778  49.24153       11.76956  38.68229       11.76956  68.55056 8.584579  60.35938 9.749566  8.191181       12.99035  
1 1 1 24 9  21 o 32.14555 9.085336  7.981378       6.265977  6.223093       12.53195  9.739664       12.53195  30.96868 12.68534  33.32243 13.00983  -2.353756      18.17067  
1 1 1 24 9  22 o 32.23563 13.76286  5.765652       15.70545  5.765652       15.70545  ?              ?         32.23563 13.76286  ?        ?         ?              ?         
1 1 1 24 10 0  o 426.8884 4.721779  1823.700       40.30238  1823.700       40.30238  1823.700       40.30238  426.8884 4.721779  426.8884 4.721779  0.000000       0.000000  
1 1 1 24 10 1  o 124.1516 1.088025  154.3813       1.906001  142.4068       3.812001  166.3557       3.812001  119.3291 1.597264  128.9741 1.477817  -9.645027      2.176050  
1 1 1 24 10 2  o 126.6529 1.072494  160.4614       1.920296  165.4409       3.840591  155.4820       3.840591  128.6187 1.493015  124.6871 1.540091  3.931541       2.144988  
1 1 1 24 10 3  o 220.2440 1.472158  487.2787       4.555342  551.4537       9.110683  423.1036       9.110683  234.8131 1.939986  205.6750 2.214826  29.13817       2.944316  
1 1 1 24 10 4  o 211.6550 1.533070  450.8836       4.545812  379.8945       9.091624  521.8726       9.091624  194.8850 2.332561  228.4250 1.990068  -33.53996      3.066140  
1 1 1 24 10 5  o 273.6813 1.723676  749.2537       6.671002  740.0715       13.34200  758.4359       13.34200  272.0037 2.452541  275.3588 2.422658  -3.355072      3.447351  
1 1 1 24 10 6  o 403.6245 2.324149  1630.083       13.26577  1649.911       26.53153  1610.256       26.53153  406.0806 3.266781  401.1683 3.306783  4.912292       4.648298  
1 1 1 24 10 7  o 185.0591 1.316366  342.5369       3.445096  343.2612       6.890193  341.8127       6.890193  185.2548 1.859653  184.8634 1.863590  0.3913879      2.632732  
1 1 1 24 10 8  o 126.9828 1.249776  161.2810       2.244316  162.4103       4.488632  160.1517       4.488632  127.4274 1.761250  126.5381 1.773628  0.8893280      2.499552  
1 1 1 24 10 9  o 384.6265 2.197105  1480.467       11.95062  1466.515       23.90125  1494.419       23.90125  382.8128 3.121794  386.4402 3.092490  -3.627380      4.394211  
1 1 1 24 10 10 o 160.9670 1.399455  259.8499       3.173491  233.5899       6.346982  286.1098       6.346982  152.8101 2.076755  169.1240 1.876429  -16.31384      2.798910  
1 1 1 24 10 11 o 194.6711 1.529176  379.5515       4.202732  405.1300       8.405463  353.9730       8.405463  201.2407 2.088410  188.1014 2.234291  13.13936       3.058351  
1 1 1 24 10 12 o 54.40604 3.153655  29.85750       2.401561  24.94955       4.803122  34.76545       4.803122  49.89556 4.813176  58.91653 4.076210  -9.020966      6.307309  
1 1 1 24 10 13 o 324.7273 2.034565  1055.886       9.339403  1020.235       18.67881  1091.538       18.67881  319.2378 2.925532  330.2167 2.828265  -10.97894      4.069130  
1 1 1 24 10 14 o 87.72452 2.485365  77.11203       3.082956  75.64917       6.165912  78.57488       6.165912  86.89074 3.548084  88.55830 3.481273  -1.667557      4.970730  
1 1 1 24 10 15 o 124.7070 2.073356  155.9871       3.649991  145.1705       7.299983  166.8037       7.299983  120.3702 3.032304  129.0438 2.828490  -8.673569      4.146712  
1 1 1 24 10 16 o 82.99365 3.170402  69.34984       3.716702  65.47113       7.433403  73.22855       7.433403  80.65691 4.608039  85.33041 4.355659  -4.673500      6.340804  
1 1 1 24 10 17 o 66.10947 4.610142  45.92033       4.074077  62.80273       8.148153  29.03792       8.148153  78.87799 5.165036  53.34095 7.637803  25.53704       9.220284  
1 1 1 24 10 18 o 64.86196 5.723009  45.27228       4.798357  28.48518       9.596713  62.05939       9.596713  51.58433 9.659322  78.13960 6.140750  -26.55527      11.44602  
1 1 1 24 10 19 o 67.36220 5.591055  47.83109       5.131907  33.57420       10.26381  62.08797       10.26381  56.77993 9.038240  77.94446 6.584056  -21.16452      11.18211  
1 1 1 24 10 20 o 47.67901 7.328963  24.69700       5.884778  48.40289       11.76956  0.9911204      11.76956  67.90936 8.665636  27.44867 11.82208  40.46069       14.65793  
1 1 1 24 10 22 o 38.32919 15.01967  16.04853       16.73469  16.04853       16.73469  ?              ?         38.32919 15.01967  ?        ?         ?              ?         
1 1 1 24 11 0  o 132.0732 3.099326  174.7517       8.176744  174.7517       8.176744  174.7517       8.176744  132.0732 3.099326  132.0732 3.099326  0.000000       0.000000  
1 1 1 24 11 1  o 132.5869 1.249835  176.4861       2.330086  198.2431       4.660172  154.7292       4.660172  140.7917 1.654988  124.3821 1.873329  16.40961       2.499670  
1 1 1 24 11 2  o 153.9644 1.383083  237.0874       3.011481  235.9629       6.022963  238.2120       6.022963  153.5993 1.960609  154.3296 1.951330  -0.7303772     2.766167  
1 1 1 24 11 3  o 297.6505 1.827760  886.4523       7.690712  857.4811       15.38142  915.4236       15.38142  292.7838 2.626755  302.5171 2.542241  -9.733307      3.655520  
1 1 1 24 11 4  o 112.0592 1.250820  125.5912       1.982241  125.8914       3.964482  125.2910       3.964482  112.1931 1.766811  111.9252 1.771040  0.2678833      2.501641  
1 1 1 24 11 5  o 229.6875 1.515456  528.7294       4.907952  575.7742       9.815904  481.6845       9.815904  239.9286 2.045589  219.4465 2.236515  20.48212       3.030913  
1 1 1 24 11 6  o 222.1613 1.518651  494.4453       4.760237  533.3657       9.520474  455.5247       9.520474  230.9209 2.061415  213.4018 2.230645  17.51906       3.037303  
1 1 1 24 11 7  f 110.1526 1.394808  122.9704       2.129956  150.9076       4.259912  95.03320       4.259912  122.8337 1.734016  97.47143 2.185210  25.36228       2.789616  
1 1 1 24 11 8  o 190.4461 1.417307  362.8311       3.816766  356.1267       7.633533  369.5354       7.633533  188.6860 2.022814  192.2063 1.985765  -3.520340      2.834615  
1 1 1 24 11 9  o 232.4798 1.499156  540.7896       4.927012  557.9055       9.854024  523.6736       9.854024  236.1610 2.086294  228.7987 2.153427  7.362335       2.998311  
1 1 1 24 11 10 o 121.9761 1.483593  148.8491       2.558806  145.8281       5.117612  151.8701       5.117612  120.7378 2.119309  123.2145 2.076709  -2.476738      2.967185  
1 1 1 24 11 11 o 170.5755 1.448925  291.4752       3.487981  313.1464       6.975962  269.8040       6.975962  176.9279 1.971414  164.2232 2.123928  12.70477       2.897851  
1 1 1 24 11 12 o 218.3381 1.715980  477.8248       5.284387  518.0892       10.56877  437.5606       10.56877  227.5587 2.322208  209.1175 2.526995  18.44124       3.431961  
1 1 1 24 11 13 o 147.2581 1.694867  217.3460       3.521337  234.5238       7.042673  200.1682       7.042673  153.0906 2.300165  141.4255 2.489888  11.66513       3.389735  
1 1 1 24 11 14 o 58.75862 3.832065  36.16160       2.982891  21.80465       5.965783  50.51855       5.965783  46.54173 6.409068  70.97551 4.202705  -24.43378      7.664130  
1 1 1 24 11 15 o 130.6989 2.006816  171.1779       3.707171  177.8966       7.414343  164.4593       7.414343  133.2692 2.781716  128.1287 2.893319  5.140549       4.013632  
1 1 1 24 11 16 o 124.1438 2.391728  154.6767       4.197967  158.7318       8.395933  150.6217       8.395933  125.7770 3.337628  122.5106 3.426615  3.266388       4.783456  
1 1 1 24 11 17 o 34.45174 7.483475  11.14534       4.507692  20.21314       9.015384  2.077541       9.015384  43.26778 10.50793  25.63570 10.65800  17.63208       14.96695  
1 1 1 24 11 18 o 142.7849 2.754025  205.3430       5.560757  202.5126       11.12151  208.1734       11.12151  141.7938 3.921721  143.7761 3.867651  -1.982285      5.508050  
1 1 1 24 11 19 o 37.14130 7.246989  9.253634       5.536932  -12.97987      11.07386  31.48713       11.07386  20.54137 9.796016  53.74121 10.68239  -33.19984      14.49398  
1 1 1 24 11 20 o 27.66067 8.401302  -0.7338099     6.180207  -8.453114      12.36041  6.985494       12.36041  23.61718 10.95158  31.70415 12.74325  -8.086969      16.80260  
1 1 1 24 11 21 f 52.26678 9.882828  33.26448       7.481052  36.65240       14.96210  29.87656       14.96210  55.14970 13.62644  49.38387 14.31787  5.765827       19.76566  
1 1 1 24 11 22 o 38.76487 15.44696  16.83952       17.96406  16.83952       17.96406  ?              ?         38.76487 15.44696  ?        ?         ?              ?         
1 1 1 24 12 0  o 231.7656 3.153090  537.5590       14.60950  537.5590       14.60950  537.5590       14.60950  231.7656 3.153090  231.7656 3.153090  0.000000       0.000000  
1 1 1 24 12 1  o 378.5708 2.100850  1434.266       11.24064  1376.342       22.48128  1492.189       22.48128  370.9205 3.030471  386.2211 2.910416  -15.30054      4.201699  
1 1 1 24 12 2  o 463.2562 2.627196  2147.419       17.21119  2169.868       34.42237  2124.972       34.42237  465.6791 3.695933  460.8334 3.734796  4.845673       5.254391  
1 1 1 24 12 3  o 66.86932 1.589421  44.76719       1.500976  47.49754       3.001951  42.03685       3.001951  68.91088 2.178140  64.82777 2.315328  4.083107       3.178843  
1 1 1 24 12 4  o 135.2655 1.193182  182.9951       2.282436  181.5561       4.564872  184.4342       4.564872  134.7335 1.694037  135.7974 1.680766  -1.063858      2.386364  
1 1 1 24 12 5  o 133.1706 1.247603  179.5691       2.306261  219.0567       4.612522  140.0815       4.612522  147.9966 1.558321  118.3447 1.948766  29.65187       2.495206  
1 1 1 24 12 6  o 365.2844 2.130612  1336.497       10.98809  1247.287       21.97619  1425.708       21.97619  353.0733 3.112128  377.4955 2.910788  -24.42218      4.261224  
1 1 1 24 12 7  o 324.9134 1.941330  1057.316       8.905789  1126.990       17.81158  987.6419       17.81158  335.6353 2.653413  314.1914 2.834510  21.44385       3.882660  
1 1 1 24 12 8  o 256.7802 1.633941  660.0529       5.927662  693.9081       11.85532  626.1975       11.85532  263.3725 2.250677  250.1879 2.369285  13.18459       3.267882  
1 1 1 24 12 9  o 33.32773 3.277575  13.69938       1.553391  28.54236       3.106781  -1.143600      3.106781  53.40714 2.908582  13.24833 5.874534  40.15881       6.555151  
1 1 1 24 12 10 o 224.2551 1.701927  504.5422       5.374923  451.3029       10.74985  557.7816       10.74985  212.3848 2.530747  236.1253 2.276301  -23.74051      3.403855  
1 1 1 24 12 11 o 123.7307 1.593215  153.1805       2.787526  155.8060       5.575052  150.5550       5.575052  124.7917 2.233743  122.6697 2.272383  2.121956       3.186430  
1 1 1 24 12 12 o 221.2956 1.710920  490.2091       5.351098  470.0960       10.70220  510.3221       10.70220  216.7512 2.468774  225.8400 2.369420  -9.088791      3.421841  
1 1 1 24 12 13 f 59.00668 3.159246  35.71845       2.544511  46.40159       5.089022  25.03532       5.089022  68.05916 3.738676  49.95420 5.093688  18.10495       6.318492  
1 1 1 24 12 14 o 283.2796 1.936482  804.5038       7.743128  861.6934       15.48626  747.3143       15.48626  293.3738 2.639339  273.1854 2.834386  20.18835       3.872964  
1 1 1 24 12 15 f 51.79998 4.554986  28.48995       3.040071  39.48280       6.080142  17.49709       6.080142  62.67805 4.850296  40.92190 7.711433  21.75616       9.109971  
1 1 1 24 12 16 o 82.69483 3.207093  69.49755       3.692876  83.39706       7.385753  55.59805       7.385753  91.09893 4.053699  74.29073 4.970844  16.80820       6.414185  
1 1 1 24 12 17 o 45.15018 7.022385  22.04290       4.612522  11.12151       9.225043  32.96428       9.225043  33.58447 11.45055  56.71589 8.132681  -23.13142      14.04477  
1 1 1 24 12 18 o 124.1513 3.300174  155.8156       5.794242  154.8530       11.58848  156.7781       11.58848  123.7636 4.681700  124.5389 4.652555  -0.7752838     6.600347  
1 1 1 24 12 19 o 50.24312 7.920564  27.88003       5.727532  38.86335       11.45506  16.89670       11.45506  60.93841 9.398887  39.54783 12.75156  21.39058       15.84113  
1 1 1 24 12 20 o 51.44164 9.229035  30.52937       6.742478  28.02774       13.48496  33.03099       13.48496  49.19356 13.36177  53.68972 12.73434  -4.496162      18.45807  
1 1 1 24 12 21 o 33.59230 9.371026  6.146853       7.328573  -7.547763      14.65715  19.84147       14.65715  25.94639 11.99101  41.23821 14.40417  -15.29182      18.74205  
1 1 1 24 12 22 o 37.99992 14.55521  17.63051       15.51485  17.63051       15.51485  ?              ?         37.99992 14.55521  ?        ?         ?              ?         
1 1 1 24 13 0  o 302.0479 3.626417  912.9935       21.89995  912.9935       21.89995  912.9935       21.89995  302.0479 3.626417  302.0479 3.626417  0.000000       0.000000  
1 1 1 24 13 1  o 280.3394 1.686430  786.5351       6.680532  749.7730       13.36106  823.2971       13.36106  273.7827 2.440085  286.8961 2.328554  -13.11337      3.372860  
1 1 1 24 13 2  o 166.5807 1.323757  280.2250       3.073426  334.8653       6.146852  225.5847       6.146852  182.9812 1.679640  150.1801 2.046493  32.80109       2.647513  
1 1 1 24 13 3  o 235.6876 1.512086  556.2043       5.031842  592.6519       10.06368  519.7568       10.06368  243.4197 2.067146  227.9554 2.207380  15.46432       3.024173  
1 1 1 24 13 4  o 223.7568 1.518070  501.4926       4.793592  463.8253       9.587184  539.1600       9.587184  215.3398 2.226060  232.1738 2.064657  -16.83406      3.036141  
1 1 1 24 13 5  o 174.7018 1.345337  308.3623       3.273556  246.8652       6.547113  369.8594       6.547113  157.1012 2.083725  192.3024 1.702296  -35.20119      2.690673  
1 1 1 24 13 6  o 199.7598 1.401577  399.4359       3.954952  421.5216       7.909904  377.3500       7.909904  205.2879 1.926539  194.2317 2.036203  11.05617       2.803155  
1 1 1 24 13 7  o 76.65582 1.731071  58.96690       1.867881  65.51878       3.735762  52.41502       3.735762  80.92939 2.308038  72.38225 2.580579  8.547142       3.462142  
1 1 1 24 13 8  f 289.4272 1.840539  838.1066       7.533468  842.5095       15.06694  833.7039       15.06694  290.1879 2.596066  288.6667 2.609746  1.521210       3.681078  
1 1 1 24 13 9  o 126.3462 1.397235  160.6902       2.473036  135.3260       4.946072  186.0543       4.946072  116.3086 2.126271  136.3837 1.813293  -20.07510      2.794469  
1 1 1 24 13 10 o 483.5683 2.706970  2341.193       18.51203  2332.564       37.02407  2349.823       37.02407  482.6760 3.835291  484.4605 3.821164  -1.784515      5.413941  
1 1 1 24 13 11 o 120.4097 1.729658  150.0261       2.797056  203.6752       5.594112  96.37693       5.594112  142.6874 1.960268  98.13194 2.850302  44.55550       3.459316  
1 1 1 24 13 12 o 86.24712 2.286406  74.74858       2.773231  65.67126       5.546463  83.82591       5.546463  80.98472 3.424388  91.50951 3.030539  -10.52480      4.572811  
1 1 1 24 13 13 o 187.7317 1.795032  353.2392       4.755473  326.5932       9.510944  379.8850       9.510944  180.6349 2.632644  194.8285 2.440851  -14.19362      3.590065  
1 1 1 24 13 14 o 246.0589 1.838728  606.7324       6.389868  570.6090       12.77974  642.8560       12.77974  238.7185 2.676737  253.3994 2.521659  -14.68083      3.677457  
1 1 1 24 13 15 f 94.13360 2.747314  89.26755       3.635697  100.4177       7.271393  78.11744       7.271393  100.0561 3.633659  88.21111 4.121586  11.84497       5.494629  
1 1 1 24 13 16 o 86.88406 3.437219  76.06372       4.221792  78.47005       8.443583  73.65740       8.443583  88.26885 4.782878  85.49927 4.937810  2.769585       6.874438  
1 1 1 24 13 17 o 69.95781 4.169141  50.41372       4.016897  63.40311       8.033793  37.42433       8.033793  79.24155 5.069180  60.67408 6.620450  18.56747       8.338282  
1 1 1 24 13 18 o 68.97321 5.281356  49.17006       5.103317  41.63659       10.20663  56.70352       10.20663  63.51205 8.035195  74.43436 6.856130  -10.92231      10.56271  
1 1 1 24 13 19 o 73.87862 5.664587  56.99895       5.822832  68.35872       11.64566  45.63919       11.64566  81.56674 7.138733  66.19050 8.797082  15.37624       11.32917  
1 1 1 24 13 20 o 38.41433 9.561191  14.12823       7.014082  24.99720       14.02816  3.259262       14.02816  46.19815 13.98642  30.63051 13.04016  15.56764       19.12238  
1 1 1 24 13 21 o 30.56199 9.120053  4.807887       6.761538  5.441632       13.52308  4.174142       13.52308  30.92320 12.96645  30.20077 12.82859  0.7224331      18.24011  
1 1 1 24 13 22 o 34.18267 13.85409  13.61837       14.78104  13.61837       14.78104  ?              ?         34.18267 13.85409  ?        ?         ?              ?         
1 1 1 24 14 0  o 31.80939 7.248477  11.56942       4.012132  11.56942       4.012132  11.56942       4.012132  31.80939 7.248477  31.80939 7.248477  0.000000       0.000000  
1 1 1 24 14 1  o 140.2774 1.281164  198.3861       2.511156  163.1346       5.022312  233.6376       5.022312  127.7125 1.966257  152.8423 1.642972  -25.12983      2.562328  
1 1 1 24 14 2  o 199.3652 1.494459  398.2303       4.202732  365.3232       8.405463  431.1374       8.405463  191.1122 2.199091  207.6182 2.024260  -16.50594      2.988918  
1 1 1 24 14 3  o 273.2068 1.756919  748.6057       6.761538  672.0750       13.52308  825.1363       13.52308  259.2008 2.608609  287.2128 2.354191  -28.01199      3.513838  
1 1 1 24 14 4  o 249.3823 1.564018  622.6476       5.508343  660.4388       11.01669  584.8563       11.01669  256.9593 2.143663  241.8054 2.278007  15.15393       3.128036  
1 1 1 24 14 5  o 305.4575 1.882062  933.8641       8.124328  974.7193       16.24866  893.0090       16.24866  312.1450 2.602741  298.7700 2.719259  13.37506       3.764124  
1 1 1 24 14 6  o 215.3107 1.577770  463.7967       4.803122  452.2749       9.606244  475.3185       9.606244  212.6351 2.258857  217.9863 2.203405  -5.351242      3.155539  
1 1 1 24 14 7  o 46.02607 2.882874  21.59975       1.824996  15.83887       3.649991  27.36064       3.649991  39.76778 4.589131  52.28436 3.490520  -12.51657      5.765749  
1 1 1 24 14 8  o 270.1157 1.681116  730.5606       6.413693  687.9995       12.82739  773.1216       12.82739  262.2374 2.445759  277.9940 2.307134  -15.75659      3.362232  
1 1 1 24 14 9  o 116.8158 1.433814  136.8890       2.358676  151.3936       4.717352  122.3843       4.717352  123.0241 1.917247  110.6074 2.132475  12.41671       2.867627  
1 1 1 24 14 10 o 175.0700 1.499748  307.7333       3.692876  344.7765       7.385753  270.6902       7.385753  185.6495 1.989166  164.4905 2.245039  21.15903       2.999497  
1 1 1 24 14 11 o 173.4207 1.463127  301.1529       3.583282  319.6649       7.166563  282.6409       7.166563  178.7580 2.004543  168.0834 2.131848  10.67464       2.926255  
1 1 1 24 14 12 o 149.4066 1.671286  223.7978       3.521337  204.4186       7.042673  243.1771       7.042673  142.9211 2.463832  155.8920 2.258831  -12.97081      3.342572  
1 1 1 24 14 13 o 132.0752 1.962441  174.9804       3.654756  190.4095       7.309513  159.5513       7.309513  137.9162 2.649983  126.2342 2.895219  11.68202       3.924882  
1 1 1 24 14 14 o 115.9809 2.121116  134.7733       3.478451  131.7904       6.956903  137.7562       6.956903  114.6950 3.032784  117.2669 2.966269  -2.571877      4.242232  
1 1 1 24 14 15 f 200.4855 1.803891  403.4670       5.098552  366.7241       10.19710  440.2100       10.19710  191.3220 2.664907  209.6490 2.431947  -18.32697      3.607782  
1 1 1 24 14 16 o 145.5978 2.377679  213.1385       4.884127  196.2323       9.768253  230.0448       9.768253  139.7920 3.493852  151.4036 3.225898  -11.61159      4.755357  
1 1 1 24 14 17 o 72.46855 4.247944  53.88741       4.269442  41.92249       8.538883  65.85233       8.538883  64.21330 6.648843  80.72380 5.288950  -16.51050      8.495888  
1 1 1 24 14 18 o 101.3073 3.549428  104.8348       5.012782  84.76938       10.02556  124.9002       10.02556  91.40404 5.484202  111.2105 4.507471  -19.80649      7.098856  
1 1 1 24 14 19 o 51.45186 7.661175  29.93374       5.832363  49.02234       11.66473  10.84515       11.66473  68.61304 8.500371  34.29068 12.74826  34.32236       15.32235  
1 1 1 24 14 20 o 36.81544 9.365113  13.32295       6.542348  21.12802       13.08470  5.517872       13.08470  42.63120 13.61672  30.99967 12.86103  11.63153       18.73023  
1 1 1 24 14 21 o 63.71558 8.205184  47.06393       7.133208  36.70958       14.26642  57.41827       14.26642  55.10613 13.11591  72.32503 9.862710  -17.21890      16.41037  
1 1 1 24 15 0  o 42.56921 4.925429  18.85035       4.097902  18.85035       4.097902  18.85035       4.097902  42.56921 4.925429  42.56921 4.925429  0.000000       0.000000  
1 1 1 24 15 1  o 240.6315 1.502138  580.8871       5.089022  644.1139       10.17804  517.6603       10.17804  253.7692 2.005374  227.4938 2.236994  26.27534       3.004275  
1 1 1 24 15 2  o 204.6546 1.467564  419.0485       4.245616  433.4627       8.491233  404.6345       8.491233  208.1762 2.039434  201.1330 2.110850  7.043167       2.935129  
1 1 1 24 15 3  o 427.8936 2.433335  1832.143       14.72386  1857.484       29.44771  1806.803       29.44771  430.8547 3.417360  424.9326 3.464987  5.922119       4.866671  
1 1 1 24 15 4  o 119.1111 1.504989  141.9160       2.534981  143.7029       5.069962  140.1292       5.069962  119.8612 2.114930  118.3610 2.141736  1.500175       3.009977  
1 1 1 24 15 5  o 358.0670 2.193053  1283.053       11.10245  1316.294       22.20491  1249.813       22.20491  362.7086 3.060985  353.4253 3.141387  9.283325       4.386107  
1 1 1 24 15 6  o 287.1328 1.787239  825.1841       7.252333  860.7214       14.50467  789.6466       14.50467  293.3211 2.472490  280.9445 2.581412  12.37662       3.574478  
1 1 1 24 15 7  o 78.77840 1.821672  62.86467       1.991771  48.99375       3.983541  76.73560       3.983541  69.97465 2.846418  87.58216 2.274174  -17.60751      3.643345  
1 1 1 24 15 8  o 289.5093 1.821491  838.6356       7.457228  827.8428       14.91446  849.4282       14.91446  287.6453 2.592508  291.3733 2.559339  -3.727936      3.642981  
1 1 1 24 15 9  o 202.2250 1.577853  409.1136       4.512457  410.9814       9.024914  407.2456       9.024914  202.6868 2.226320  201.7632 2.236512  0.9236603      3.155707  
1 1 1 24 15 10 o 133.2294 1.555341  178.3540       2.911416  201.7692       5.822832  154.9388       5.822832  142.0169 2.050049  124.4418 2.339581  17.57511       3.110682  
1 1 1 24 15 11 o 122.7771 1.725713  150.9601       2.992421  159.9421       5.984842  141.9780       5.984842  126.4350 2.366767  119.1193 2.512122  7.315712       3.451426  
1 1 1 24 15 12 o 246.3552 1.803979  607.4091       6.285037  606.5943       12.57007  608.2239       12.57007  246.1898 2.552923  246.5206 2.549498  -0.3307495     3.607958  
1 1 1 24 15 13 o 147.4525 1.778683  218.8327       3.678581  251.0775       7.357163  186.5880       7.357163  158.3865 2.322535  136.5186 2.694565  21.86790       3.557366  
1 1 1 24 15 14 o 66.45466 3.717978  45.22940       3.397446  33.16442       6.794893  57.29438       6.794893  57.37705 5.921264  75.53226 4.498007  -18.15522      7.435956  
1 1 1 24 15 15 o 71.74139 3.640403  51.87657       3.692876  50.81398       7.385753  52.93917       7.385753  71.00082 5.201175  72.48196 5.094890  -1.481148      7.280805  
1 1 1 24 15 16 o 23.84318 6.824357  0.7099851      3.888242  -5.641763      7.776483  7.061733       7.776483  19.09978 8.791004  28.58658 10.44058  -9.486799      13.64871  
1 1 1 24 15 17 o 52.09706 6.718672  30.18152       4.688762  45.52483       9.377523  14.83822       9.377523  66.82014 7.016988  37.37397 11.45967  29.44617       13.43734  
1 1 1 24 15 18 o 143.8665 2.859667  208.6356       5.818067  210.3748       11.63613  206.8964       11.63613  144.4710 4.027153  143.2621 4.061135  1.208908       5.719334  
1 1 1 24 15 19 o 76.63727 5.762793  62.07368       6.080142  46.37300       12.16028  77.77436       12.16028  66.39377 9.157701  86.88077 6.998260  -20.48700      11.52559  
1 1 1 24 15 20 f 144.1339 3.499758  212.0902       7.114148  229.8923       14.22830  194.2882       14.22830  150.3094 4.733002  137.9584 5.156735  12.35106       6.999516  
1 1 1 24 15 21 o 34.77741 13.93216  11.30258       14.70480  11.30258       14.70480  ?              ?         34.77741 13.93216  ?        ?         ?              ?         
1 1 1 24 16 0  o 52.93801 4.378551  28.60907       4.574402  28.60907       4.574402  28.60907       4.574402  52.93801 4.378551  52.93801 4.378551  0.000000       0.000000  
1 1 1 24 16 1  o 392.0573 2.208950  1537.990       12.24605  1566.027       24.49211  1509.953       24.49211  395.6330 3.095307  388.4817 3.152286  7.151276       4.417899  
1 1 1 24 16 2  o 267.3716 1.677448  719.4390       6.285037  831.0163       12.57007  607.8618       12.57007  288.2372 2.180509  246.5060 2.549649  41.73119       3.354897  
1 1 1 24 16 3  o 143.3096 1.293511  207.4587       2.582631  248.4472       5.165262  166.4701       5.165262  157.6103 1.638619  129.0089 2.001902  28.60139       2.587022  
1 1 1 24 16 4  o 143.2022 1.381765  205.1762       2.797056  198.0335       5.594112  212.3190       5.594112  140.7083 1.987841  145.6961 1.919788  -4.987854      2.763529  
1 1 1 24 16 5  o 210.8351 1.539351  444.7176       4.588697  433.3674       9.177394  456.0679       9.177394  208.1433 2.204585  213.5268 2.149003  -5.383499      3.078702  
1 1 1 24 16 6  o 221.4194 1.520085  491.0621       4.750707  455.8487       9.501413  526.2754       9.501413  213.4677 2.225493  229.3711 2.071188  -15.90346      3.040171  
1 1 1 24 16 7  o 139.9003 1.419158  196.2800       2.797056  176.5052       5.594112  216.0547       5.594112  132.8329 2.105696  146.9678 1.903177  -14.13489      2.838316  
1 1 1 24 16 8  o 126.5916 1.401748  160.4376       2.506391  151.2030       5.012782  169.6722       5.012782  122.9442 2.038641  130.2390 1.924455  -7.294785      2.803495  
1 1 1 24 16 9  o 298.7700 1.869294  893.3473       7.895608  866.8110       15.79122  919.8837       15.79122  294.3291 2.682579  303.2109 2.603998  -8.881866      3.738587  
1 1 1 24 16 10 o 171.4033 1.522060  294.2532       3.683347  313.8326       7.366693  274.6738       7.366693  177.1148 2.079638  165.6918 2.223011  11.42300       3.044121  
1 1 1 24 16 11 o 203.3657 1.628946  414.1406       4.679232  390.6634       9.358463  437.6178       9.358463  197.5935 2.368110  209.1379 2.237391  -11.54433      3.257892  
1 1 1 24 16 12 o 39.04293 4.712302  15.88175       2.482566  11.55990       4.965132  20.20361       4.965132  33.22389 7.628916  44.86197 5.533787  -11.63808      9.424603  
1 1 1 24 16 13 o 292.9707 2.011339  860.7452       8.314929  926.8405       16.62986  794.6499       16.62986  304.2509 2.732918  281.6905 2.951796  22.56036       4.022678  
1 1 1 24 16 14 f 165.9668 1.947188  276.4892       4.555342  250.7439       9.110683  302.2345       9.110683  158.2107 2.879288  173.7230 2.622187  -15.51230      3.894376  
1 1 1 24 16 15 o 126.7750 2.338417  161.3525       4.188437  169.5006       8.376874  153.2043       8.376874  129.9886 3.222157  123.5614 3.389762  6.427254       4.676835  
1 1 1 24 16 16 o 100.8395 3.087692  102.3856       4.402863  100.7035       8.805723  104.0676       8.805723  100.0055 4.402621  101.6735 4.330392  -1.668045      6.175384  
1 1 1 24 16 17 o 57.54248 5.889246  35.20860       4.517222  44.93397       9.034444  25.48323       9.034444  66.35303 6.807861  48.73192 9.611757  17.62111       11.77849  
1 1 1 24 16 18 o 35.82469 8.368308  12.31753       5.327272  20.47045       10.65454  4.164612       10.65454  43.00971 11.95965  28.63967 11.70816  14.37004       16.73662  
1 1 1 24 16 19 o 24.76545 7.945786  -6.423223      6.180207  0.5718002E-01  12.36041  -12.90362      12.36041  27.54252 11.99168  21.98839 10.42793  5.554132       15.89157  
1 1 1 24 16 20 o 109.9996 4.789656  127.7640       7.214212  92.32668       14.42842  163.2013       14.42842  93.89162 7.683553  126.1075 5.720685  -32.21588      9.579312  
1 1 1 24 16 21 o 75.15111 7.598226  64.20364       7.705008  77.42175       15.41002  50.98552       15.41002  84.41182 9.127878  65.89040 12.14965  18.52142       15.19645  
1 1 1 24 17 0  o 341.4572 3.972772  1166.911       27.12239  1166.911       27.12239  1166.911       27.12239  341.4572 3.972772  341.4572 3.972772  0.000000       0.000000  
1 1 1 24 17 1  o 268.4728 1.725729  721.0400       6.551878  712.6251       13.10376  729.4551       13.10376  266.9056 2.454754  270.0400 2.426262  -3.134399      3.451458  
1 1 1 24 17 2  o 73.84644 1.821985  54.58310       1.901236  52.04335       3.802472  57.12284       3.802472  72.12682 2.635962  75.56605 2.515992  -3.439224      3.643969  
1 1 1 24 17 3  o 354.5338 2.091301  1257.779       10.48301  1289.457       20.96601  1226.102       20.96601  359.0013 2.920046  350.0663 2.994577  8.934998       4.182602  
1 1 1 24 17 4  o 118.5081 1.439745  141.6635       2.382501  167.4898       4.765002  115.8372       4.765002  129.4045 1.841127  107.6116 2.213981  21.79288       2.879490  
1 1 1 24 17 5  o 66.47020 2.073215  44.20969       1.948886  44.22874       3.897772  44.19063       3.897772  66.48454 2.931337  66.45586 2.932602  0.2867126E-01  4.146431  
1 1 1 24 17 6  o 443.4239 2.539658  1968.241       15.92464  1937.516       31.84928  1998.966       31.84928  439.9594 3.619570  446.8884 3.563449  -6.929016      5.079316  
1 1 1 24 17 7  o 182.3033 1.430773  332.4923       3.688112  325.3067       7.376224  339.6779       7.376224  180.3325 2.045173  184.2740 2.001428  -3.941574      2.861546  
1 1 1 24 17 8  o 113.6119 1.592510  130.5753       2.515921  103.2290       5.031842  157.9217       5.031842  101.5770 2.476862  125.6469 2.002374  -24.06996      3.185019  
1 1 1 24 17 9  o 290.1109 1.823358  843.2051       7.466758  783.5284       14.93352  902.8821       14.93352  279.8257 2.668360  300.3961 2.485638  -20.57037      3.646716  
1 1 1 24 17 10 o 148.9922 1.529162  222.1254       3.221142  216.0452       6.442283  228.2055       6.442283  146.9518 2.191972  151.0326 2.132746  -4.080841      3.058324  
1 1 1 24 17 11 o 182.7241 1.632676  334.2029       4.217027  346.0344       8.434053  322.3714       8.434053  185.9617 2.267686  179.4866 2.349494  6.475052       3.265352  
1 1 1 24 17 12 o 64.54028 2.961892  41.97014       2.682696  47.93592       5.365392  36.00435       5.365392  69.16203 3.878857  59.91853 4.477240  9.243507       5.923783  
1 1 1 24 17 13 o 222.2564 1.877194  494.6930       5.899073  482.7805       11.79815  506.6055       11.79815  219.5765 2.686569  224.9363 2.622553  -5.359818      3.754389  
1 1 1 24 17 14 o 91.46341 2.505615  83.90692       3.240201  81.78649       6.480402  86.02734       6.480402  90.30424 3.588094  92.62257 3.498285  -2.318329      5.011230  
1 1 1 24 17 15 o 50.51786 5.413129  25.98356       3.864417  27.12239       7.728833  24.84472       7.728833  51.64502 7.482652  49.39070 7.824179  2.254318       10.82626  
1 1 1 24 17 16 o 48.45257 6.794432  25.57376       4.545812  36.59521       9.091624  14.55232       9.091624  59.84809 7.595583  37.05704 11.26785  22.79105       13.58886  
1 1 1 24 17 17 o 51.38313 7.204863  28.94262       5.103317  39.34938       10.20663  18.53586       10.20663  61.69176 8.272284  41.07449 11.79871  20.61727       14.40973  
1 1 1 24 17 18 o 84.92752 4.382510  73.60022       5.260562  70.75075       10.52112  76.44970       10.52112  83.24992 6.318999  86.60511 6.074194  -3.355186      8.765020  
1 1 1 24 17 19 f 48.99700 8.879971  27.53218       6.299332  20.67058       12.59866  34.39378       12.59866  42.68669 13.32241  55.30731 11.74431  -12.62062      17.75994  
1 1 1 24 17 20 o 28.70334 8.768824  0.9529820E-02  6.794893  -8.186274      13.58979  8.205333       13.58979  24.68228 11.46000  32.72441 13.27545  -8.042130      17.53765  
1 1 1 24 17 21 o 106.6268 5.600323  121.7506       8.405463  109.0518       16.81093  134.4493       16.81093  100.6720 8.349352  112.5816 7.466111  -11.90951      11.20065  
1 1 1 24 18 0  o 240.4292 3.378606  578.5952       16.23913  578.5952       16.23913  578.5952       16.23913  240.4292 3.378606  240.4292 3.378606  0.000000       0.000000  
1 1 1 24 18 1  o 464.0346 2.573660  2155.134       16.88717  2113.879       33.77433  2196.390       33.77433  459.5893 3.674404  468.4799 3.604673  -8.890533      5.147321  
1 1 1 24 18 2  o 231.3628 1.765603  537.3635       5.746593  473.8890       11.49319  600.8382       11.49319  217.6453 2.640348  245.0804 2.344779  -27.43509      3.531207  
1 1 1 24 18 3  o 368.8847 2.168507  1361.599       11.31211  1345.560       22.62423  1377.638       22.62423  366.7107 3.084752  371.0587 3.048605  -4.347992      4.337014  
1 1 1 24 18 4  o 244.0963 1.605572  596.1017       5.541698  584.3703       11.08340  607.8332       11.08340  241.6932 2.292864  246.4993 2.248159  -4.806076      3.211144  
1 1 1 24 18 5  o 285.0806 1.841497  813.8384       7.414343  862.3701       14.82869  765.3070       14.82869  293.5925 2.525386  276.5687 2.680833  17.02380       3.682993  
1 1 1 24 18 6  o 97.44421 1.676578  95.63359       2.287201  111.2151       4.574402  80.05203       4.574402  105.4393 2.169210  89.44909 2.556986  15.99023       3.353156  
1 1 1 24 18 7  o 302.4257 1.895608  915.6572       8.100503  872.0526       16.20101  959.2615       16.20101  295.2166 2.743919  309.6348 2.616148  -14.41827      3.791216  
1 1 1 24 18 8  o 120.4481 1.574919  145.4803       2.673166  131.3425       5.346332  159.6180       5.346332  114.5793 2.333028  126.3169 2.116238  -11.73764      3.149838  
1 1 1 24 18 9  o 102.9919 1.819929  107.0744       2.615986  126.9682       5.231973  87.18047       5.231973  112.6499 2.322227  93.33390 2.802825  19.31596       3.639858  
1 1 1 24 18 10 o 268.8965 1.742130  723.5894       6.623353  741.7583       13.24671  705.4203       13.24671  272.2750 2.432597  265.5181 2.494501  6.756836       3.484260  
1 1 1 24 18 11 o 117.2120 1.837244  137.5227       3.044836  140.7486       6.089673  134.2968       6.089673  118.5881 2.567574  115.8359 2.628578  2.752197       3.674488  
1 1 1 24 18 12 o 190.9853 1.688878  365.9188       4.545812  330.9008       9.091624  400.9368       9.091624  181.8176 2.500205  200.1530 2.271168  -18.33543      3.377755  
1 1 1 24 18 13 o 135.5984 1.872960  184.2578       3.588047  193.8117       7.176094  174.7040       7.176094  139.1212 2.579080  132.0755 2.716663  7.045700       3.745919  
1 1 1 24 18 14 o 105.1425 2.474323  111.9680       3.626166  133.6964       7.252333  90.23961       7.252333  115.4753 3.140208  94.80966 3.824680  20.66568       4.948645  
1 1 1 24 18 15 o 125.6530 2.561317  158.6031       4.550577  162.2007       9.101154  155.0055       9.101154  127.0845 3.580749  124.2214 3.663279  2.863098       5.122633  
1 1 1 24 18 16 o 112.4672 3.031909  127.3685       4.822182  128.5121       9.644363  126.2249       9.644363  112.9756 4.268340  111.9588 4.307106  1.016830       6.063818  
1 1 1 24 18 17 o 72.30130 5.015692  54.46874       4.988957  40.31192       9.977913  68.62556       9.977913  62.51115 7.980908  82.09145 6.077316  -19.58031      10.03138  
1 1 1 24 18 18 o 36.90123 7.372532  7.666887       5.789477  31.81115       11.57895  -16.47738      11.57895  53.78062 11.14048  20.02183 9.659539  33.75878       14.74506  
1 1 1 24 18 19 o 113.3026 4.139524  131.4616       6.628118  137.1082       13.25624  125.8151       13.25624  115.7944 5.724040  110.8108 5.981472  4.983589       8.279048  
1 1 1 24 18 20 o 91.98221 5.569900  90.70181       7.037908  67.18652       14.07582  114.2171       14.07582  79.19969 8.886282  104.7647 6.717821  -25.56504      11.13980  
1 1 1 24 18 21 o 53.42862 14.87242  38.12955       16.46785  38.12955       16.46785  ?              ?         53.42862 14.87242  ?        ?         ?              ?         
1 1 1 24 19 0  o 583.7667 6.106242  3412.866       71.27490  3412.866       71.27490  3412.866       71.27490  583.7667 6.106242  583.7667 6.106242  0.000000       0.000000  
1 1 1 24 19 1  o 264.2203 1.721535  698.3825       6.432753  697.9584       12.86551  698.8066       12.86551  264.1400 2.435357  264.3005 2.433878  -0.1604919     3.443069  
1 1 1 24 19 2  o 271.4209 1.903857  739.4998       7.271393  654.3873       14.54279  824.6122       14.54279  255.7419 2.843255  287.1000 2.532704  -31.35809      3.807714  
1 1 1 24 19 3  o 580.4067 3.173140  3373.574       26.04550  3390.232       52.09100  3356.915       52.09100  581.8417 4.476389  578.9716 4.498580  2.870117       6.346281  
1 1 1 24 19 4  o 173.9329 1.414131  302.6158       3.478451  302.1011       6.956903  303.1304       6.956903  173.7849 2.001584  174.0808 1.998182  -0.2958832     2.828263  
1 1 1 24 19 5  o 228.0253 1.613034  520.6813       5.193852  487.7837       10.38770  553.5789       10.38770  220.8117 2.352164  235.2389 2.207906  -14.42717      3.226069  
1 1 1 24 19 6  o 207.9787 1.537776  434.3013       4.498162  486.7068       8.996324  381.8958       8.996324  220.5775 2.039266  195.3800 2.302264  25.19753       3.075553  
1 1 1 24 19 7  o 60.66528 2.507957  36.92400       2.144251  33.39314       4.288502  40.45486       4.288502  57.75516 3.712657  63.57540 3.372768  -5.820244      5.015913  
1 1 1 24 19 8  o 127.9778 1.517184  163.9018       2.744641  158.1314       5.489282  169.6722       5.489282  125.7233 2.183080  130.2322 2.107498  -4.508904      3.034368  
1 1 1 24 19 9  o 140.0631 1.527576  196.2657       3.025776  195.1935       6.051552  197.3378       6.051552  139.6804 2.166214  140.4458 2.154408  -0.7654724     3.055153  
1 1 1 24 19 10 o 173.0172 1.551836  299.9807       3.788176  323.6675       7.576353  276.2939       7.576353  179.8624 2.106152  166.1720 2.279672  13.69044       3.103672  
1 1 1 24 19 11 o 28.43962 5.400246  7.523938       2.649341  15.01929       5.298682  0.2859001E-01  5.298682  38.01075 7.230655  18.86848 8.022983  19.14227       10.80049  
1 1 1 24 19 12 o 45.23587 4.385960  20.70393       2.782761  17.66863       5.565523  23.73924       5.565523  41.88090 6.644464  48.59085 5.726924  -6.709953      8.771919  
1 1 1 24 19 13 o 51.90717 4.185689  27.52265       3.006716  33.99353       6.013433  21.05178       6.013433  58.14029 5.171484  45.67404 6.582987  12.46625       8.371378  
1 1 1 24 19 14 o 183.4239 1.907518  337.9196       4.931777  369.5068       9.863553  306.3324       9.863553  192.0343 2.568175  174.8134 2.821166  17.22089       3.815036  
1 1 1 24 19 15 o 88.51604 3.490563  79.02278       4.369507  78.97514       8.739014  79.07044       8.739014  88.48912 4.937902  88.54295 4.934901  -0.5383301E-01 6.981126  
1 1 1 24 19 16 o 61.60466 6.123765  42.08926       4.712587  62.52635       9.425174  21.65217       9.425174  78.52119 6.001675  44.68812 10.67623  33.83307       12.24753  
1 1 1 24 19 17 o 161.3633 2.582816  262.1990       5.889543  273.9495       11.77909  250.4485       11.77909  165.0043 3.569327  157.7223 3.734122  7.282028       5.165633  
1 1 1 24 19 18 o 34.36785 9.066468  10.71172       5.961017  13.22765       11.92203  8.195804       11.92203  36.32912 12.96062  32.40658 12.68170  3.922546       18.13294  
1 1 1 24 19 19 o 53.33269 9.064684  33.51702       6.937842  22.68141       13.87568  44.35264       13.87568  43.96575 14.02017  62.69963 11.49387  -18.73388      18.12937  
1 1 1 24 19 20 o 119.8965 4.492255  150.7837       7.490582  181.1272       14.98116  120.4402       14.98116  132.5505 5.651115  107.2424 6.984720  25.30812       8.984510  
1 1 1 24 20 0  o 259.0552 3.277107  671.6746       16.97294  671.6746       16.97294  671.6746       16.97294  259.0552 3.277107  259.0552 3.277107  0.000000       0.000000  
1 1 1 24 20 1  o 296.7099 1.859523  881.3490       7.795544  837.6015       15.59109  925.0965       15.59109  289.3378 2.694270  304.0820 2.563632  -14.74420      3.719046  
1 1 1 24 20 2  o 145.4598 1.391944  211.8615       2.859001  225.3846       5.718002  198.3384       5.718002  150.1082 1.904627  140.8114 2.030376  9.296783       2.783888  
1 1 1 24 20 3  o 135.7404 1.684602  184.9964       3.216377  162.8487       6.432753  207.1442       6.432753  127.5823 2.521021  143.8985 2.235170  -16.31624      3.369204  
1 1 1 24 20 4  o 349.6039 2.150149  1223.815       10.62119  1164.271       21.24238  1283.358       21.24238  341.0880 3.113914  358.1197 2.965821  -17.03168      4.300297  
1 1 1 24 20 5  o 244.6081 1.773097  598.7035       6.132557  611.6833       12.26511  585.7236       12.26511  247.2613 2.480193  241.9549 2.534587  5.306396       3.546193  
1 1 1 24 20 6  o 147.5392 1.569378  218.0179       3.268791  232.9133       6.537583  203.1225       6.537583  152.5872 2.142245  142.4913 2.294029  10.09590       3.138755  
1 1 1 24 20 7  o 155.4470 1.581527  241.8810       3.473686  230.1591       6.947372  253.6029       6.947372  151.6767 2.290192  159.2174 2.181725  -7.540771      3.163053  
1 1 1 24 20 8  o 206.4864 1.596148  426.6345       4.660172  417.3284       9.320344  435.9405       9.320344  204.2329 2.281793  208.7398 2.232527  -4.506836      3.192296  
1 1 1 24 20 9  o 245.5506 1.690560  603.9401       5.860952  563.8999       11.72190  643.9805       11.72190  237.3974 2.468836  253.7037 2.310156  -16.30632      3.381120  
1 1 1 24 20 10 o 178.1246 1.559848  317.8971       3.921597  340.9263       7.843193  294.8679       7.843193  184.5889 2.124503  171.6602 2.284511  12.92871       3.119696  
1 1 1 24 20 11 o 75.75848 2.533859  57.55169       2.711286  60.89672       5.422573  54.20666       5.422573  77.96618 3.477516  73.55079 3.686278  4.415390       5.067718  
1 1 1 24 20 12 o 178.6200 1.705010  319.6029       4.302797  335.8278       8.605594  303.3781       8.605594  183.1617 2.349180  174.0782 2.471760  9.083450       3.410021  
1 1 1 24 20 13 o 105.7405 2.243816  113.0306       3.311677  92.13607       6.623353  133.9252       6.623353  95.86042 3.454686  115.6206 2.864261  -19.76019      4.487633  
1 1 1 24 20 14 o 145.0979 1.992518  211.0419       4.088372  208.2782       8.176744  213.8056       8.176744  144.1456 2.836280  146.0503 2.799291  -1.904724      3.985036  
1 1 1 24 20 15 o 93.71921 3.454897  88.77198       4.564872  80.77631       9.129744  96.76767       9.129744  89.45345 5.103070  97.98497 4.658747  -8.531517      6.909793  
1 1 1 24 20 16 o 68.37531 5.205779  48.45054       4.936542  59.10509       9.873084  37.79600       9.873084  76.16653 6.481248  60.58409 8.148249  15.58245       10.41156  
1 1 1 24 20 17 f 113.8694 3.423534  131.1853       5.513107  131.3616       11.02621  131.0090       11.02621  113.9468 4.838316  113.7920 4.844899  0.1548386      6.847068  
1 1 1 24 20 18 o 61.26664 6.644046  39.66388       5.756122  39.06349       11.51224  40.26427       11.51224  60.77666 9.470942  61.75662 9.320657  -0.9799614     13.28809  
1 1 1 24 20 19 o 56.60583 8.592524  37.56728       7.080793  18.38338       14.16159  56.75117       14.16159  40.51736 14.15798  72.69430 9.740506  -32.17694      17.18505  
1 1 1 24 20 20 f 90.80850 6.261053  90.50645       7.800308  67.09122       15.60062  113.9217       15.60062  77.91587 10.01119  103.7011 7.521912  -25.78527      12.52211  
1 1 1 24 21 0  o 256.3467 3.715654  657.8848       19.04095  657.8848       19.04095  657.8848       19.04095  256.3467 3.715654  256.3467 3.715654  0.000000       0.000000  
1 1 1 24 21 1  o 178.2925 1.418178  318.3831       3.568987  295.6398       7.137973  341.1265       7.137973  171.9144 2.076025  184.6706 1.932623  -12.75620      2.836356  
1 1 1 24 21 2  o 97.37053 1.572356  94.89977       2.163311  99.44558       4.326622  90.35397       4.326622  99.70481 2.169716  95.03625 2.276301  4.668564       3.144712  
1 1 1 24 21 3  o 372.6490 2.183581  1390.094       11.50271  1436.753       23.00543  1343.435       23.00543  378.9095 3.035743  366.3886 3.139485  12.52084       4.367162  
1 1 1 24 21 4  o 127.7686 1.476972  163.3204       2.668401  160.1803       5.336802  166.4606       5.336802  126.5398 2.108745  128.9974 2.068569  -2.457657      2.953943  
1 1 1 24 21 5  o 268.9586 1.839974  724.3517       6.990257  765.1831       13.98051  683.5205       13.98051  276.5492 2.527673  261.3679 2.674489  15.18127       3.679949  
1 1 1 24 21 6  o 307.4643 1.869562  945.8911       8.129093  939.5440       16.25819  952.2380       16.25819  306.4322 2.652820  308.4965 2.635069  -2.064301      3.739123  
1 1 1 24 21 7  o 148.1476 1.584319  219.7095       3.316442  230.3116       6.632883  209.1073       6.632883  151.7259 2.185812  144.5694 2.294014  7.156479       3.168638  
1 1 1 24 21 8  o 144.8376 1.700858  212.6144       3.416506  260.4359       6.833013  164.7928       6.833013  161.3463 2.117499  128.3289 2.662304  33.01736       3.401715  
1 1 1 24 21 9  o 252.4065 1.740229  637.7336       6.208797  660.8582       12.41759  614.6090       12.41759  256.9873 2.415994  247.8257 2.505308  9.161636       3.480459  
1 1 1 24 21 10 o 104.0405 1.982815  108.4991       2.911416  100.4748       5.822832  116.5234       5.822832  100.1842 2.906065  107.8968 2.698334  -7.712639      3.965630  
1 1 1 24 21 11 o 115.9746 1.981884  135.3499       3.225906  116.1993       6.451812  154.5004       6.451812  107.7183 2.994762  124.2310 2.596700  -16.51270      3.963767  
1 1 1 24 21 12 o 77.92802 2.914231  60.94437       3.211612  61.41135       6.423223  60.47740       6.423223  78.22764 4.105469  77.62841 4.137160  0.5992279      5.828462  
1 1 1 24 21 13 f 15.79542 5.322206  -9.753959      3.368856  -14.40936      6.737713  -5.098552      6.737713  13.84291 6.817626  17.74792 8.174564  -3.905006      10.64441  
1 1 1 24 21 14 o 28.50511 6.625472  5.470222       3.745291  -4.097902      7.490582  15.03835       7.490582  19.50697 8.856061  37.50325 9.856859  -17.99627      13.25094  
1 1 1 24 21 15 o 64.91063 4.853711  44.07627       4.259912  58.61905       8.519823  29.53348       8.519823  76.11279 5.596841  53.70847 7.931546  22.40432       9.707422  
1 1 1 24 21 16 o 74.72143 4.890019  57.25150       5.155732  61.58288       10.31146  52.92011       10.31146  77.61978 6.642292  71.82307 7.178379  5.796707       9.780039  
1 1 1 24 21 17 o 109.6354 3.762403  121.9936       5.832363  124.7668       11.66473  119.2203       11.66473  110.9002 5.259110  108.3707 5.381864  2.529503       7.524806  
1 1 1 24 21 18 f 53.18345 8.014818  32.41631       6.308862  12.73209       12.61772  52.10053       12.61772  36.02847 13.28537  70.33844 8.969296  -34.30997      16.02964  
1 1 1 24 21 19 o 50.88003 9.149940  30.72950       6.732948  22.83389       13.46590  38.62511       13.46590  43.86636 13.78987  57.89370 12.03018  -14.02734      18.29988  
1 1 1 24 21 20 o 41.67952 14.98424  21.08037       15.96276  21.08037       15.96276  ?              ?         41.67952 14.98424  ?        ?         ?              ?         
1 1 1 24 22 0  o 161.7927 2.926651  262.1132       9.463295  262.1132       9.463295  262.1132       9.463295  161.7927 2.926651  161.7927 2.926651  0.000000       0.000000  
1 1 1 24 22 1  f 83.37691 1.864268  69.68816       2.191901  75.77306       4.383801  63.60325       4.383801  87.02595 2.518675  79.72788 2.749228  7.298065       3.728535  
1 1 1 24 22 2  o 142.5934 1.436039  203.5609       2.892356  191.9724       5.784712  215.1494       5.784712  138.5300 2.087892  146.6569 1.972192  -8.126953      2.872079  
1 1 1 24 22 3  o 92.42590 1.772251  85.60326       2.311026  78.81313       4.622052  92.39339       4.622052  88.75262 2.603896  96.09919 2.404834  -7.346565      3.544503  
1 1 1 24 22 4  o 145.7570 1.543660  217.4223       3.073426  281.9261       6.146852  152.9184       6.146852  167.8842 1.830682  123.6299 2.485991  44.25436       3.087320  
1 1 1 24 22 5  o 199.1330 1.700506  396.7293       4.788827  394.0847       9.577654  399.3739       9.577654  198.4690 2.412884  199.7970 2.396846  -1.328033      3.401011  
1 1 1 24 22 6  o 39.62784 4.195870  16.15812       2.253846  12.78926       4.507692  19.52698       4.507692  35.11858 6.659227  44.13710 5.106466  -9.018524      8.391740  
1 1 1 24 22 7  o 73.95746 2.342186  54.76416       2.449211  56.06501       4.898422  53.46332       4.898422  74.83691 3.272731  73.07800 3.351502  1.758911       4.684371  
1 1 1 24 22 8  o 88.32124 2.025084  78.15079       2.525451  73.09513       5.050902  83.20647       5.050902  85.45915 2.955156  91.18333 2.769641  -5.724182      4.050168  
1 1 1 24 22 9  o 129.7754 1.649567  168.7716       3.021011  181.4608       6.042023  156.0824       6.042023  134.6643 2.243365  124.8865 2.419006  9.777809       3.299133  
1 1 1 24 22 10 o 35.85765 5.284982  13.67556       2.692226  20.69917       5.384452  6.651943       5.384452  45.38042 5.932572  26.33488 8.748069  19.04554       10.56996  
1 1 1 24 22 11 o 147.6396 1.749302  218.3086       3.649991  227.5193       7.299983  209.0978       7.299983  150.7590 2.421078  144.5203 2.525591  6.238663       3.498604  
1 1 1 24 22 12 o 86.19753 2.810125  74.81529       3.406976  65.86185       6.813953  83.76874       6.813953  81.00396 4.205938  91.39108 3.727909  -10.38712      5.620251  
1 1 1 24 22 13 o 47.13768 5.246534  23.06261       3.378386  19.26014       6.756773  26.86508       6.756773  42.77928 8.189302  51.49607 6.560474  -8.716793      10.49307  
1 1 1 24 22 14 o 91.23965 3.098564  83.87833       3.993072  79.03231       7.986144  88.72433       7.986144  88.58401 4.507667  93.89530 4.252686  -5.311295      6.197128  
1 1 1 24 22 15 o 57.39424 5.150012  33.64091       4.174142  31.60149       8.348284  35.68034       8.348284  55.61757 7.505078  59.17092 7.054380  -3.553356      10.30002  
1 1 1 24 22 16 o 29.53191 8.061201  5.770417       4.969897  0.6861603      9.939795  10.85467       9.939795  25.58671 10.93732  33.47711 11.84512  -7.890402      16.12240  
1 1 1 24 22 17 o 188.2627 2.618412  357.0749       6.971198  354.3446       13.94240  359.8053       13.94240  187.5375 3.717228  188.9878 3.688703  -1.450287      5.236823  
1 1 1 24 22 18 o 29.76767 8.431783  1.901236       6.094438  -10.41630      12.18888  14.21877       12.18888  22.60771 10.60474  36.92762 13.11180  -14.31992      16.86357  
1 1 1 24 22 19 o 68.84528 7.396842  52.07194       7.199918  50.85210       14.39984  53.29178       14.39984  67.95934 10.59445  69.73120 10.32525  -1.771858      14.79368  
1 1 1 24 22 20 o 91.74757 6.681585  93.04144       8.658009  98.02562       17.31602  88.05724       17.31602  94.46382 9.165422  89.03131 9.724678  5.432510       13.36317  
1 1 1 24 23 0  o 237.6811 3.341456  565.5104       15.87699  565.5104       15.87699  565.5104       15.87699  237.6811 3.341456  237.6811 3.341456  0.000000       0.000000  
1 1 1 24 23 1  o 137.8214 1.399047  190.5096       2.716051  170.9587       5.432102  210.0603       5.432102  130.7286 2.077625  144.9142 1.874247  -14.18559      2.798094  
1 1 1 24 23 2  o 156.6849 1.505399  245.6025       3.335501  249.0857       6.671002  242.1193       6.671002  157.7964 2.113800  155.5734 2.144005  2.223068       3.010799  
1 1 1 24 23 3  f 215.9729 1.582142  466.6700       4.831712  475.5091       9.663424  457.8309       9.663424  218.0192 2.216187  213.9265 2.258585  4.092667       3.164283  
1 1 1 24 23 4  o 238.7114 1.704011  570.1801       5.751357  556.7619       11.50271  583.5983       11.50271  235.9008 2.438040  241.5219 2.381298  -5.621109      3.408023  
1 1 1 24 23 5  o 84.02656 2.193808  70.67451       2.606456  69.11159       5.212912  72.23743       5.212912  83.09654 3.136660  84.95657 3.067986  -1.860031      4.387616  
1 1 1 24 23 6  o 165.5353 1.559440  274.4260       3.645226  257.1195       7.290452  291.7325       7.290452  160.3078 2.273891  170.7627 2.134674  -10.45486      3.118880  
1 1 1 24 23 7  o 104.7002 1.877858  110.0096       2.768466  98.21622       5.536932  121.8030       5.536932  99.06820 2.794505  110.3322 2.509211  -11.26395      3.755715  
1 1 1 24 23 8  o 166.9858 1.665120  279.3054       3.926362  261.6939       7.852723  296.9168       7.852723  161.7125 2.427990  172.2591 2.279334  -10.54668      3.330240  
1 1 1 24 23 9  f 116.9003 1.873572  137.2035       3.082956  152.4705       6.165912  121.9364       6.165912  123.4303 2.497731  110.3704 2.793282  13.05989       3.747143  
1 1 1 24 23 10 o 115.5097 2.035035  134.7066       3.283086  159.0367       6.566173  110.3765       6.566173  126.0413 2.604770  104.9781 3.127402  21.06326       4.070070  
1 1 1 24 23 11 o 92.84253 2.632819  87.42825       3.397446  68.91145       6.794893  105.9451       6.794893  82.87038 4.099711  102.8147 3.304437  -19.94431      5.265637  
1 1 1 24 23 12 o 182.3946 1.812247  333.2166       4.674467  330.3290       9.348933  336.1042       9.348933  181.6030 2.574003  183.1862 2.551758  -1.583160      3.624494  
1 1 1 24 23 13 o 167.0036 2.059911  279.6151       4.865067  279.0385       9.730133  280.1917       9.730133  166.8310 2.916165  167.1763 2.910142  -0.3452454     4.119823  
1 1 1 24 23 14 o 48.01677 5.709550  24.04897       3.764351  20.94695       7.528703  27.15098       7.528703  44.42704 8.785701  51.60651 7.294335  -7.179470      11.41910  
1 1 1 24 23 15 o 29.75638 7.365524  5.584581       4.483867  -4.545812      8.967733  15.71498       8.967733  21.35623 9.694120  38.15654 11.09179  -16.80031      14.73105  
1 1 1 24 23 16 f 66.45560 5.274015  45.64395       4.907952  52.80575       9.815904  38.48215       9.815904  71.84400 6.831401  61.06718 8.036971  10.77682       10.54803  
1 1 1 24 23 17 o 215.3685 2.479854  467.3419       7.552527  473.7270       15.10505  460.9568       15.10505  216.8508 3.482822  213.8861 3.531098  2.964737       4.959708  
1 1 1 24 23 18 o 48.02210 9.583292  27.18434       7.137973  37.30996       14.27595  17.05871       14.27595  56.54998 12.90261  39.49422 14.17324  17.05577       19.16658  
1 1 1 24 23 19 o 77.86772 6.657022  66.12392       7.261863  75.74446       14.52373  56.50339       14.52373  84.04520 8.640425  71.69023 10.12950  12.35497       13.31404  
1 1 1 24 24 0  o 125.4866 6.252863  158.7603       15.61015  158.7603       15.61015  158.7603       15.61015  125.4866 6.252863  125.4866 6.252863  0.000000       0.000000  
1 1 1 24 24 1  o 44.57780 7.692955  21.40439       6.299332  21.40439       6.299332  21.40439       6.299332  44.57780 7.692955  44.57780 7.692955  0.000000       0.000000  
1 1 1 24 24 2  o 90.46221 3.551580  82.25346       6.404162  82.25346       6.404162  82.25346       6.404162  90.46221 3.551580  90.46221 3.551580  0.000000       0.000000  
1 1 1 24 24 3  o 74.75603 5.043951  56.70352       7.471523  56.70352       7.471523  56.70352       7.471523  74.75603 5.043951  74.75603 5.043951  0.000000       0.000000  
1 1 1 24 24 4  o 88.15083 4.138520  78.27946       7.261863  78.27946       7.261863  78.27946       7.261863  88.15083 4.138520  88.15083 4.138520  0.000000       0.000000  
1 1 1 24 24 5  o 67.76580 5.622834  46.93527       7.519173  46.93527       7.519173  46.93527       7.519173  67.76580 5.622834  67.76580 5.622834  0.000000       0.000000  
1 1 1 24 24 6  o 217.0915 3.324865  471.8591       14.42842  471.8591       14.42842  471.8591       14.42842  217.0915 3.324865  217.0915 3.324865  0.000000       0.000000  
1 1 1 24 24 7  f 146.1337 3.660354  214.1106       10.68313  214.1106       10.68313  214.1106       10.68313  146.1337 3.660354  146.1337 3.660354  0.000000       0.000000  
1 1 1 24 24 8  o 227.4051 3.505340  517.8985       15.93417  517.8985       15.93417  517.8985       15.93417  227.4051 3.505340  227.4051 3.505340  0.000000       0.000000  
1 1 1 24 24 9  o 318.2662 4.148755  1014.764       26.39811  1014.764       26.39811  1014.764       26.39811  318.2662 4.148755  318.2662 4.148755  0.000000       0.000000  
1 1 1 24 24 10 o 240.2867 3.680488  578.4808       17.67816  578.4808       17.67816  578.4808       17.67816  240.2867 3.680488  240.2867 3.680488  0.000000       0.000000  
1 1 1 24 24 11 o 25.04276 13.42087  9.263164       9.110683  9.263164       9.110683  9.263164       9.110683  25.04276 13.42087  25.04276 13.42087  0.000000       0.000000  
1 1 1 24 24 12 o 68.35110 7.505797  48.76503       10.04462  48.76503       10.04462  48.76503       10.04462  68.35110 7.505797  68.35110 7.505797  0.000000       0.000000  
1 1 1 24 24 13 o 175.2623 3.984878  308.4862       13.95192  308.4862       13.95192  308.4862       13.95192  175.2623 3.984878  175.2623 3.984878  0.000000       0.000000  
1 1 1 24 24 14 o 117.7037 5.183222  140.0434       12.15075  140.0434       12.15075  140.0434       12.15075  117.7037 5.183222  117.7037 5.183222  0.000000       0.000000  
1 1 1 24 24 15 o 25.29474 14.96830  8.414993       12.79880  8.414993       12.79880  8.414993       12.79880  25.29474 14.96830  25.29474 14.96830  0.000000       0.000000  
1 1 1 24 24 16 o 104.8007 7.352291  112.9591       15.25754  112.9591       15.25754  112.9591       15.25754  104.8007 7.352291  104.8007 7.352291  0.000000       0.000000  
1 1 1 24 24 17 o 80.84574 9.192259  69.60715       14.53326  69.60715       14.53326  69.60715       14.53326  80.84574 9.192259  80.84574 9.192259  0.000000       0.000000  
1 1 1 24 24 18 o 114.8902 9.671187  139.5193       21.91901  139.5193       21.91901  139.5193       21.91901  114.8902 9.671187  114.8902 9.671187  0.000000       0.000000  
1 1 1 25 0  1  o 249.0209 2.901742  620.4413       14.44749  620.4413       14.44749  620.4413       14.44749  249.0209 2.901742  249.0209 2.901742  0.000000       0.000000  
1 1 1 25 0  2  o 79.39037 2.242696  63.18392       3.554691  63.18392       3.554691  63.18392       3.554691  79.39037 2.242696  79.39037 2.242696  0.000000       0.000000  
1 1 1 25 0  3  o 41.08443 2.857869  17.12542       2.325321  17.12542       2.325321  17.12542       2.325321  41.08443 2.857869  41.08443 2.857869  0.000000       0.000000  
1 1 1 25 0  4  o 173.0057 2.932400  299.6138       10.13992  299.6138       10.13992  299.6138       10.13992  173.0057 2.932400  173.0057 2.932400  0.000000       0.000000  
1 1 1 25 0  5  o 267.2497 3.842311  714.8932       20.52763  714.8932       20.52763  714.8932       20.52763  267.2497 3.842311  267.2497 3.842311  0.000000       0.000000  
1 1 1 25 0  6  o 140.0736 3.266258  196.5754       9.139274  196.5754       9.139274  196.5754       9.139274  140.0736 3.266258  140.0736 3.266258  0.000000       0.000000  
1 1 1 25 0  7  o 233.6432 3.501431  546.4313       16.35349  546.4313       16.35349  546.4313       16.35349  233.6432 3.501431  233.6432 3.501431  0.000000       0.000000  
1 1 1 25 0  8  o 75.28041 4.547452  57.32297       6.794893  57.32297       6.794893  57.32297       6.794893  75.28041 4.547452  75.28041 4.547452  0.000000       0.000000  
1 1 1 25 0  9  o 50.98257 6.010273  27.09380       5.984842  27.09380       5.984842  27.09380       5.984842  50.98257 6.010273  50.98257 6.010273  0.000000       0.000000  
1 1 1 25 0  10 o 17.43029 8.457224  4.498162       3.421271  4.498162       3.421271  4.498162       3.421271  17.43029 8.457224  17.43029 8.457224  0.000000       0.000000  
1 1 1 25 0  11 o 27.03249 8.580139  9.225043       4.069312  9.225043       4.069312  9.225043       4.069312  27.03249 8.580139  27.03249 8.580139  0.000000       0.000000  
1 1 1 25 0  12 o 32.92149 9.020162  13.03705       5.127142  13.03705       5.127142  13.03705       5.127142  32.92149 9.020162  32.92149 9.020162  0.000000       0.000000  
1 1 1 25 0  13 o 179.8563 3.099133  323.9344       11.14057  323.9344       11.14057  323.9344       11.14057  179.8563 3.099133  179.8563 3.099133  0.000000       0.000000  
1 1 1 25 0  14 o 46.97603 8.106311  23.80595       6.995024  23.80595       6.995024  23.80595       6.995024  46.97603 8.106311  46.97603 8.106311  0.000000       0.000000  
1 1 1 25 0  15 o 281.1324 3.996764  792.0005       22.46222  792.0005       22.46222  792.0005       22.46222  281.1324 3.996764  281.1324 3.996764  0.000000       0.000000  
1 1 1 25 0  16 o 260.7402 3.616335  681.3381       18.85035  681.3381       18.85035  681.3381       18.85035  260.7402 3.616335  260.7402 3.616335  0.000000       0.000000  
1 1 1 25 0  17 o 110.9712 5.198580  124.5095       11.48365  124.5095       11.48365  124.5095       11.48365  110.9712 5.198580  110.9712 5.198580  0.000000       0.000000  
1 1 1 25 0  18 o 41.98246 16.19625  24.83519       12.83692  24.83519       12.83692  24.83519       12.83692  41.98246 16.19625  41.98246 16.19625  0.000000       0.000000  
1 1 1 25 0  19 o 62.20541 14.48124  45.91556       15.64827  45.91556       15.64827  45.91556       15.64827  62.20541 14.48124  62.20541 14.48124  0.000000       0.000000  
1 1 1 25 0  20 o 35.41111 19.24051  20.57528       18.93612  20.57528       18.93612  20.57528       18.93612  35.41111 19.24051  35.41111 19.24051  0.000000       0.000000  
1 1 1 25 0  21 o 38.97491 19.21170  25.54041       17.75440  25.54041       17.75440  25.54041       17.75440  38.97491 19.21170  38.97491 19.21170  0.000000       0.000000  
1 1 1 25 1  0  o 121.1832 2.400660  147.0384       5.813303  147.0384       5.813303  147.0384       5.813303  121.1832 2.400660  121.1832 2.400660  0.000000       0.000000  
1 1 1 25 1  1  o 264.6765 1.661749  701.1367       6.213562  738.1655       12.42712  664.1078       12.42712  271.6715 2.287160  257.6813 2.411336  13.99020       3.323498  
1 1 1 25 1  2  o 356.5598 1.998861  1272.975       10.06368  1191.250       20.12737  1354.699       20.12737  345.0996 2.916167  368.0199 2.734549  -22.92029      3.997723  
1 1 1 25 1  3  o 314.5922 1.781070  990.6677       7.914669  1046.118       15.82934  935.2175       15.82934  323.4052 2.447291  305.7791 2.588361  17.62610       3.562141  
1 1 1 25 1  4  o 264.7261 1.794698  700.9843       6.718653  693.0410       13.43731  708.9275       13.43731  263.2258 2.552429  266.2264 2.523662  -3.000549      3.589396  
1 1 1 25 1  5  o 255.4937 1.776944  653.0864       6.418458  634.0693       12.83692  672.1036       12.83692  251.7720 2.549313  259.2153 2.476110  -7.443298      3.553888  
1 1 1 25 1  6  o 174.6894 1.602476  308.8912       3.888242  375.6918       7.776483  242.0907       7.776483  193.8092 2.006221  155.5696 2.499358  38.23961       3.204951  
1 1 1 25 1  7  o 57.66076 2.360736  33.93158       1.867881  24.52070       3.735762  43.34246       3.735762  49.50020 3.773481  65.82132 2.837805  -16.32112      4.721472  
1 1 1 25 1  8  o 180.6021 1.712556  328.6469       4.326622  384.2211       8.653244  273.0727       8.653244  195.9879 2.207596  165.2163 2.618762  30.77164       3.425112  
1 1 1 25 1  9  o 133.4878 1.578544  178.8972       2.963831  157.4547       5.927662  200.3397       5.927662  125.4561 2.362445  141.5194 2.094293  -16.06328      3.157089  
1 1 1 25 1  10 o 102.6357 1.375486  106.2119       1.972711  87.39014       3.945422  125.0337       3.945422  93.46648 2.110608  111.8049 1.764422  -18.33842      2.750973  
1 1 1 25 1  11 o 99.10641 1.354186  98.30199       1.896471  102.8478       3.792941  93.75617       3.792941  101.3998 1.870290  96.81302 1.958901  4.586792       2.708372  
1 1 1 25 1  12 o 77.41559 1.793255  59.97231       1.963181  60.71565       3.926362  59.22897       3.926362  77.89568 2.520269  76.93549 2.551723  0.9601898      3.586509  
1 1 1 25 1  13 o 144.3585 1.629161  208.5117       3.325971  209.3742       6.651943  207.6492       6.651943  144.6572 2.299209  144.0598 2.308745  0.5974426      3.258322  
1 1 1 25 1  14 o 49.18840 3.529862  24.31580       2.449211  26.31234       4.898422  22.31927       4.898422  51.21788 4.781945  47.15892 5.193526  4.058960       7.059725  
1 1 1 25 1  15 o 122.1807 2.007301  150.0356       3.449862  132.1907       6.899723  167.8806       6.899723  114.8780 3.003064  129.4834 2.664327  -14.60536      4.014603  
1 1 1 25 1  16 o 116.3898 2.495430  135.8835       4.107431  135.1259       8.214863  136.6412       8.214863  116.0644 3.538926  116.7153 3.519189  -0.6509399     4.990860  
1 1 1 25 1  17 o 26.94723 6.881322  2.735111       4.055017  13.02751       8.110033  -7.557293      8.110033  35.21375 10.62923  18.68071 8.742423  16.53304       13.76264  
1 1 1 25 1  18 o 128.3163 2.748517  166.2890       4.955602  144.7131       9.911204  187.8650       9.911204  119.9089 4.132805  136.7236 3.624541  -16.81465      5.497034  
1 1 1 25 1  19 o 70.71091 4.548937  51.32384       4.502927  59.55299       9.005854  43.09468       9.005854  76.52979 5.883888  64.89204 6.939105  11.63774       9.097875  
1 1 1 25 1  20 o 156.5303 3.043708  247.7801       6.737713  249.0000       13.47543  246.5603       13.47543  156.9200 4.293725  156.1407 4.315155  0.7792969      6.087417  
1 1 1 25 1  21 o 124.7695 3.974998  160.4376       6.947372  135.6310       13.89474  185.2442       13.89474  114.8286 6.050214  134.7105 5.157262  -19.88194      7.949996  
1 1 1 25 1  22 o 93.44025 6.449375  95.26192       8.453114  108.1465       16.90623  82.37736       16.90623  100.3348 8.424907  86.54569 9.767225  13.78910       12.89875  
1 1 1 25 2  0  o 598.0634 6.361183  3580.079       76.06850  3580.079       76.06850  3580.079       76.06850  598.0634 6.361183  598.0634 6.361183  0.000000       0.000000  
1 1 1 25 2  1  o 451.1322 2.461191  2036.891       15.69115  1948.181       31.38230  2125.601       31.38230  441.3002 3.555663  460.9641 3.403985  -19.66388      4.922383  
1 1 1 25 2  2  o 266.2523 1.609705  709.0227       6.061082  705.3060       12.12216  712.7394       12.12216  265.5544 2.282427  266.9503 2.270492  -1.395905      3.219410  
1 1 1 25 2  3  o 225.7339 1.412026  509.6266       4.507692  510.3984       9.015384  508.8546       9.015384  225.9049 1.995393  225.5630 1.998418  0.3419647      2.824052  
1 1 1 25 2  4  o 226.0866 1.670037  514.7966       5.284387  599.9137       10.56877  429.6793       10.56877  244.9106 2.157680  207.2625 2.549610  37.64807       3.340074  
1 1 1 25 2  5  f 124.9464 1.379610  158.9367       2.372971  117.1523       4.745942  200.7209       4.745942  108.2256 2.192616  141.6673 1.675030  -33.44176      2.759219  
1 1 1 25 2  6  o 211.7456 1.627593  449.0157       4.865067  417.8621       9.730133  480.1692       9.730133  204.3893 2.380295  219.1020 2.220458  -14.71274      3.255186  
1 1 1 25 2  7  o 264.8437 2.032715  706.3544       7.538233  592.2897       15.07647  820.4189       15.07647  243.3094 3.098209  286.3781 2.632266  -43.06865      4.065430  
1 1 1 25 2  8  o 334.5623 2.278605  1120.504       10.77367  1072.669       21.54734  1168.340       21.54734  327.4133 3.290541  341.7114 3.152857  -14.29803      4.557210  
1 1 1 25 2  9  o 167.3375 1.444162  280.1631       3.416506  271.8910       6.833013  288.4351       6.833013  164.8659 2.072295  169.8092 2.011968  -4.943314      2.888325  
1 1 1 25 2  10 o 186.3673 1.457395  347.7641       3.835827  326.6313       7.671653  368.8969       7.671653  180.6976 2.122788  192.0369 1.997442  -11.33932      2.914791  
1 1 1 25 2  11 o 97.22092 1.371844  94.68059       1.882176  87.58073       3.764351  101.7804       3.764351  93.56952 2.011527  100.8723 1.865899  -7.302811      2.743687  
1 1 1 25 2  12 o 207.3221 1.478994  430.0271       4.336152  435.0732       8.672303  424.9810       8.672303  208.5391 2.079299  206.1051 2.103854  2.433960       2.957987  
1 1 1 25 2  13 o 59.53873 2.558010  35.49926       2.153781  35.84235       4.307562  35.15619       4.307562  59.82685 3.600024  59.25062 3.635036  0.5762291      5.116020  
1 1 1 25 2  14 o 152.3103 1.737172  232.2271       3.740526  225.0892       7.481052  239.3651       7.481052  149.9670 2.494232  154.6535 2.418650  -4.686478      3.474343  
1 1 1 25 2  15 o 31.92465 5.812519  10.65931       2.754171  6.327922       5.508343  14.99070       5.508343  25.97843 8.848152  37.87088 7.540005  -11.89245      11.62504  
1 1 1 25 2  16 o 110.7209 2.351905  123.4421       3.659522  139.3382       7.319043  107.5461       7.319043  117.8994 3.103937  103.5425 3.534318  14.35685       4.703810  
1 1 1 25 2  17 f 32.67433 7.041989  10.93568       3.654756  14.50467       7.309513  7.366693       7.309513  36.83165 9.763111  28.51701 10.15087  8.314634       14.08398  
1 1 1 25 2  18 o 85.20244 4.265210  73.62404       5.136672  70.92229       10.27334  76.32580       10.27334  83.61695 6.143099  86.78793 5.918648  -3.170982      8.530420  
1 1 1 25 2  19 o 37.26875 7.228767  12.25082       5.031842  28.81873       10.06368  -4.317091      10.06368  51.63977 10.10445  22.89774 10.34023  28.74203       14.45753  
1 1 1 25 2  20 o 56.71700 7.216672  35.22289       5.565523  26.35999       11.13105  44.08580       11.13105  48.48284 11.61454  64.95116 8.568782  -16.46832      14.43334  
1 1 1 25 2  21 o 44.63575 9.536611  23.31992       6.570938  20.05113       13.14188  26.58871       13.14188  41.74378 13.66692  47.52771 13.30425  -5.783936      19.07322  
1 1 1 25 2  22 o 75.03707 8.076095  65.54736       8.014733  46.29676       16.02947  84.79797       16.02947  61.70723 13.36530  88.36691 9.069836  -26.65968      16.15219  
1 1 1 25 3  0  f 248.4364 3.217690  617.6110       15.98182  617.6110       15.98182  617.6110       15.98182  248.4364 3.217690  248.4364 3.217690  0.000000       0.000000  
1 1 1 25 3  1  o 555.2040 3.010770  3085.086       23.62964  3189.788       47.25929  2980.385       47.25929  564.6331 4.184956  545.7749 4.329559  18.85815       6.021539  
1 1 1 25 3  2  o 288.0349 1.627051  831.3357       6.609057  903.1776       13.21811  759.4937       13.21811  300.5059 2.199310  275.5638 2.398376  24.94211       3.254102  
1 1 1 25 3  3  o 57.22914 1.234154  33.24065       0.9768254 41.21727       1.953651  25.26404       1.953651  64.19816 1.521579  50.26013 1.943539  13.93803       2.468308  
1 1 1 25 3  4  o 459.6384 2.842566  2116.390       18.44532  1972.501       36.89065  2260.279       36.89065  443.9860 4.154483  475.2908 3.880851  -31.30478      5.685133  
1 1 1 25 3  5  o 107.9738 1.372465  117.4573       2.072776  137.4227       4.145552  97.49194       4.145552  117.2193 1.768290  98.72832 2.099474  18.49094       2.744930  
1 1 1 25 3  6  o 178.0210 1.450112  317.0251       3.649991  309.3344       7.299983  324.7158       7.299983  175.8610 2.075498  180.1811 2.025735  -4.320114      2.900223  
1 1 1 25 3  7  o 330.5266 2.236372  1093.658       10.44488  1042.163       20.88977  1145.154       20.88977  322.7367 3.236349  338.3165 3.087312  -15.57980      4.472745  
1 1 1 25 3  8  o 257.3030 1.939385  662.3448       7.056968  666.2806       14.11394  658.4089       14.11394  258.0679 2.734540  256.5382 2.750845  1.529663       3.878770  
1 1 1 25 3  9  o 71.52383 1.890894  51.55732       1.891706  42.79925       3.783412  60.31540       3.783412  65.40135 2.892457  77.64632 2.436311  -12.24497      3.781787  
1 1 1 25 3  10 o 53.88521 1.757227  29.05222       1.338966  28.58048       2.677931  29.52395       2.677931  53.44749 2.505198  54.32293 2.464826  -0.8754425     3.514454  
1 1 1 25 3  11 f 67.51790 1.806445  46.11569       1.696341  55.72194       3.392681  36.50945       3.392681  74.63175 2.272948  60.40405 2.808323  14.22771       3.612889  
1 1 1 25 3  12 o 359.4597 2.231957  1293.822       11.34070  1340.338       22.68141  1247.306       22.68141  365.9300 3.099146  352.9894 3.212760  12.94052       4.463915  
1 1 1 25 3  13 o 71.13940 2.308271  51.95281       2.234786  35.79469       4.469572  68.11094       4.469572  59.78273 3.738180  82.49606 2.708961  -22.71332      4.616542  
1 1 1 25 3  14 o 54.37985 3.391997  29.68120       2.606456  31.06781       5.212912  28.29458       5.212912  55.65479 4.683256  53.10492 4.908126  2.549870       6.783995  
1 1 1 25 3  15 o 43.51851 4.719997  19.11242       2.901886  18.11654       5.803772  20.10831       5.803772  42.37430 6.848222  44.66272 6.497334  -2.288418      9.439995  
1 1 1 25 3  16 o 151.4464 2.076733  230.4307       4.431452  253.2217       8.862904  207.6397       8.862904  158.9709 2.787587  143.9220 3.079065  15.04889       4.153467  
1 1 1 25 3  17 o 155.8453 2.339798  244.1254       5.146202  262.1800       10.29240  226.0708       10.29240  161.6377 3.183788  150.0528 3.429595  11.58495       4.679596  
1 1 1 25 3  18 o 50.14183 6.555308  26.76025       4.493397  33.20253       8.986794  20.31797       8.986794  56.94582 7.890652  43.33783 10.47024  13.60799       13.11062  
1 1 1 25 3  19 o 58.07954 6.152772  36.37603       4.712587  48.21229       9.425174  24.53976       9.425174  68.65183 6.864474  47.50724 10.21300  21.14460       12.30554  
1 1 1 25 3  20 o 52.27393 7.665630  31.22982       6.042023  8.986794       12.08405  53.47285       12.08405  32.98976 12.79666  71.55811 8.443520  -38.56834      15.33126  
1 1 1 25 3  21 o 65.95365 7.919400  49.61797       6.933078  32.28765       13.86616  66.94827       13.86616  52.40543 13.22187  79.50187 8.720648  -27.09644      15.83880  
1 1 1 25 3  22 o 35.19027 14.41188  10.78796       16.17241  10.78796       16.17241  ?              ?         35.19027 14.41188  ?        ?         ?              ?         
1 1 1 25 4  0  o 172.9526 2.417273  299.3279       8.357814  299.3279       8.357814  299.3279       8.357814  172.9526 2.417273  172.9526 2.417273  0.000000       0.000000  
1 1 1 25 4  1  o 287.8535 1.688536  828.9578       6.871132  802.3025       13.74226  855.6132       13.74226  283.2234 2.426047  292.4835 2.349238  -9.260071      3.377073  
1 1 1 25 4  2  o 254.4450 1.483304  647.5733       5.336802  635.3558       10.67360  659.7907       10.67360  252.0442 2.117407  256.8458 2.077824  -4.801605      2.966608  
1 1 1 25 4  3  o 205.2932 1.278541  421.5025       3.711936  419.5584       7.423873  423.4467       7.423873  204.8197 1.812295  205.7666 1.803954  -0.9469757     2.557081  
1 1 1 25 4  4  o 322.4982 2.148917  1040.700       9.796844  1074.870       19.59369  1006.530       19.59369  327.7959 2.988703  317.2005 3.088534  10.59534       4.297835  
1 1 1 25 4  5  o 199.3708 1.406760  397.6871       3.964482  383.4016       7.928963  411.9725       7.928963  195.7882 2.024883  202.9535 1.953394  -7.165283      2.813521  
1 1 1 25 4  6  o 67.09190 2.478763  46.43494       2.244316  30.57225       4.488632  62.29764       4.488632  55.27029 4.060618  78.91352 2.844019  -23.64323      4.957526  
1 1 1 25 4  7  o 250.4244 1.891963  627.4174       6.699593  639.0153       13.39919  615.8193       13.39919  252.7401 2.650784  248.1087 2.700265  4.631348       3.783925  
1 1 1 25 4  8  o 249.2010 1.668677  621.2705       5.880013  609.4819       11.76003  633.0591       11.76003  246.8357 2.382156  251.5663 2.337361  -4.730560      3.337353  
1 1 1 25 4  9  o 203.6026 1.544632  414.7982       4.445747  428.5261       8.891494  401.0702       8.891494  206.9739 2.147975  200.2314 2.220305  6.742508       3.089264  
1 1 1 25 4  10 o 121.5972 1.323277  148.0152       2.272906  139.7575       4.545812  156.2730       4.545812  118.2017 1.922905  124.9928 1.818430  -6.791069      2.646554  
1 1 1 25 4  11 o 65.16075 2.409856  42.62294       2.210961  38.02472       4.421922  47.22117       4.421922  61.63238 3.587337  68.68912 3.218794  -7.056740      4.819711  
1 1 1 25 4  12 o 95.05070 1.783756  90.78759       2.382501  102.5714       4.765002  79.00373       4.765002  101.2494 2.353101  88.85198 2.681427  12.39744       3.567511  
1 1 1 25 4  13 o 97.39604 1.871773  95.17615       2.568336  85.60802       5.136672  104.7443       5.136672  92.48407 2.777058  102.3080 2.510396  -9.823936      3.743546  
1 1 1 25 4  14 o 123.7666 1.764205  153.3235       3.087722  151.2697       6.175443  155.3772       6.175443  122.9369 2.511631  124.5962 2.478182  -1.659348      3.528410  
1 1 1 25 4  15 o 152.3883 1.866805  234.0617       3.983541  271.7576       7.967083  196.3657       7.967083  164.7567 2.417833  140.0199 2.844982  24.73677       3.733610  
1 1 1 25 4  16 o 64.70016 3.876338  42.61341       3.492747  51.08081       6.985494  34.14600       6.985494  71.24374 4.902531  58.15659 6.005763  13.08715       7.752676  
1 1 1 25 4  17 o 107.3480 2.786452  116.2660       4.207497  102.4666       8.414993  130.0655       8.414993  100.9206 4.169117  113.7755 3.698071  -12.85487      5.572905  
1 1 1 25 4  18 o 113.5751 3.150598  132.8768       4.888892  171.9213       9.777783  93.83241       9.777783  130.7639 3.738716  96.38630 5.072186  34.37763       6.301195  
1 1 1 25 4  19 o 86.08334 4.577874  76.16380       5.508343  63.08862       11.01669  89.23896       11.01669  78.48885 7.017993  93.67782 5.880093  -15.18896      9.155747  
1 1 1 25 4  20 o 46.53641 8.668328  24.58265       5.880013  30.34353       11.76003  18.82176       11.76003  52.03215 11.60019  41.04066 12.88391  10.99149       17.33666  
1 1 1 25 4  21 o 58.62846 9.398648  40.35480       7.628768  35.91858       15.25754  44.79102       15.25754  54.94663 13.87321  62.31030 12.68355  -7.363663      18.79730  
1 1 1 25 4  22 o 53.82372 9.482884  35.79469       7.376224  25.76913       14.75245  45.82026       14.75245  45.34793 14.45586  62.29951 12.27715  -16.95158      18.96577  
1 1 1 25 5  0  o 375.3525 4.247611  1409.840       31.87786  1409.840       31.87786  1409.840       31.87786  375.3525 4.247611  375.3525 4.247611  0.000000       0.000000  
1 1 1 25 5  1  o 201.0460 1.411343  405.8924       3.988307  457.4783       7.976613  354.3065       7.976613  213.8754 1.864780  188.2167 2.118998  25.65875       2.822686  
1 1 1 25 5  2  o 323.6274 1.932367  1052.146       8.786664  1190.059       17.57333  914.2323       17.57333  344.9348 2.547340  302.3200 2.906412  42.61487       3.864734  
1 1 1 25 5  3  f 357.4356 1.927875  1278.007       9.744428  1296.833       19.48886  1259.180       19.48886  360.0692 2.706266  354.8021 2.746441  5.267090       3.855750  
1 1 1 25 5  4  o 364.1838 2.061399  1326.791       10.61642  1312.281       21.23285  1341.300       21.23285  362.1918 2.931161  366.1758 2.899269  -3.984070      4.122798  
1 1 1 25 5  5  o 526.9069 3.051185  2778.892       22.73382  2732.795       45.46765  2824.989       45.46765  522.5326 4.350700  531.2811 4.279058  -8.748535      6.102370  
1 1 1 25 5  6  o 299.5364 1.872892  897.5262       7.933728  897.8311       15.86746  897.2213       15.86746  299.5873 2.648220  299.4855 2.649120  0.1018066      3.745785  
1 1 1 25 5  7  o 365.0359 2.244114  1333.343       11.58372  1310.585       23.16744  1356.100       23.16744  361.9188 3.200640  368.1531 3.146441  -6.234344      4.488228  
1 1 1 25 5  8  o 111.4132 1.524431  124.1759       2.401561  126.6728       4.803122  121.6791       4.803122  112.5337 2.134081  110.2927 2.177444  2.241074       3.048863  
1 1 1 25 5  9  o 234.3473 1.551351  549.3809       5.141437  548.5851       10.28287  550.1766       10.28287  234.1775 2.195530  234.5170 2.192351  -0.3395538     3.102701  
1 1 1 25 5  10 o 277.1052 1.739542  768.8330       6.809187  726.3197       13.61837  811.3463       13.61837  269.4343 2.527216  284.7762 2.391066  -15.34192      3.479083  
1 1 1 25 5  11 o 283.0223 1.911145  801.9356       7.643063  764.1729       15.28613  839.6981       15.28613  276.3510 2.765708  289.6936 2.638326  -13.34262      3.822291  
1 1 1 25 5  12 o 328.2895 1.971087  1078.758       9.148804  1107.205       18.29761  1050.311       18.29761  332.6221 2.750510  323.9569 2.824081  8.665222       3.942174  
1 1 1 25 5  13 o 282.3019 1.886763  797.8901       7.528703  827.5760       15.05741  768.2040       15.05741  287.5597 2.618135  277.0440 2.717511  10.51569       3.773526  
1 1 1 25 5  14 o 153.6761 1.851839  238.1977       3.978776  279.4483       7.957553  196.9471       7.957553  167.0974 2.381112  140.2549 2.836819  26.84258       3.703679  
1 1 1 25 5  15 o 227.9722 1.915834  520.5479       6.175443  532.5271       12.35089  508.5687       12.35089  230.5995 2.677995  225.3448 2.740441  5.254684       3.831667  
1 1 1 25 5  16 o 211.9800 1.862296  451.6555       5.555993  502.6315       11.11199  400.6795       11.11199  224.0038 2.480312  199.9562 2.778605  24.04755       3.724593  
1 1 1 25 5  17 o 46.74637 5.986914  22.82436       3.859652  25.18780       7.719304  20.46092       7.719304  49.66364 7.771585  43.82911 9.109062  5.834526       11.97383  
1 1 1 25 5  18 o 97.98459 3.167319  96.78196       4.388567  98.32104       8.777133  95.24287       8.777133  98.76997 4.443220  97.19920 4.515023  1.570763       6.334638  
1 1 1 25 5  19 f 101.7223 3.650314  104.8348       5.251032  105.8783       10.50206  103.7913       10.50206  102.2352 5.136228  101.2093 5.188289  1.025864       7.300629  
1 1 1 25 5  20 o 79.70819 5.471637  66.01910       6.161148  69.44514       12.32230  62.59307       12.32230  81.85731 7.526693  77.55907 7.943812  4.298233       10.94327  
1 1 1 25 5  21 o 77.67073 7.068118  65.74750       7.600178  51.38578       15.20036  80.10921       15.20036  68.42548 11.10724  86.91599 8.744282  -18.49051      14.13624  
1 1 1 25 5  22 o 42.72282 14.24439  22.46222       14.27595  22.46222       14.27595  ?              ?         42.72282 14.24439  ?        ?         ?              ?         
1 1 1 25 6  0  o 60.40103 2.781667  36.71910       3.345031  36.71910       3.345031  36.71910       3.345031  60.40103 2.781667  60.40103 2.781667  0.000000       0.000000  
1 1 1 25 6  1  o 228.4972 1.554864  524.3265       4.993722  457.5736       9.987444  591.0794       9.987444  213.8903 2.334712  243.1041 2.054149  -29.21387      3.109728  
1 1 1 25 6  2  o 455.4069 2.541802  2077.098       16.34396  1941.224       32.68791  2212.972       32.68791  440.4890 3.710412  470.3248 3.475036  -29.83575      5.083604  
1 1 1 25 6  3  o 223.3196 1.392763  498.8290       4.398098  507.9396       8.796194  489.7184       8.796194  225.3594 1.951592  221.2798 1.987573  4.079666       2.785527  
1 1 1 25 6  4  o 284.6077 1.677560  810.2171       6.752007  804.9899       13.50401  815.4443       13.50401  283.6894 2.380071  285.5260 2.364761  -1.836639      3.355120  
1 1 1 25 6  5  o 108.7486 1.841980  118.5008       2.825646  108.7564       5.651292  128.2453       5.651292  104.2684 2.709975  113.2289 2.495517  -8.960518      3.683961  
1 1 1 25 6  6  o 131.8341 1.361085  174.8279       2.515921  201.1212       5.031842  148.5346       5.031842  141.8062 1.774197  121.8619 2.064566  19.94424       2.722170  
1 1 1 25 6  7  o 393.3883 2.327110  1548.483       12.94651  1551.494       25.89302  1545.471       25.89302  393.7711 3.287827  393.0056 3.294231  0.7655334      4.654220  
1 1 1 25 6  8  o 184.6305 1.356678  341.0883       3.540397  354.2589       7.080793  327.9179       7.080793  188.1972 1.881217  181.0638 1.955331  7.133408       2.713355  
1 1 1 25 6  9  o 173.7022 1.348415  302.1393       3.306911  282.0595       6.613823  322.2190       6.613823  167.9223 1.969311  179.4822 1.842474  -11.55988      2.696830  
1 1 1 25 6  10 o 326.7928 1.971154  1069.648       9.096388  1136.539       18.19278  1002.756       18.19278  337.0273 2.699006  316.5583 2.873527  20.46896       3.942308  
1 1 1 25 6  11 o 282.3790 1.997460  797.9138       7.976613  803.1125       15.95323  792.7152       15.95323  283.2995 2.815612  281.4585 2.834028  1.841003       3.994920  
1 1 1 25 6  12 o 26.56583 4.894454  6.966434       2.120426  1.486681       4.240851  12.44619       4.240851  18.46544 7.446784  34.66623 6.353593  -16.20079      9.788909  
1 1 1 25 6  13 o 168.3313 1.583429  283.7845       3.764351  266.7544       7.528703  300.8146       7.528703  163.2728 2.305560  173.3898 2.171034  -10.11702      3.166859  
1 1 1 25 6  14 o 126.7520 1.930984  160.9046       3.459391  167.1849       6.918783  154.6243       6.918783  129.2294 2.676938  124.2747 2.783666  4.954765       3.861967  
1 1 1 25 6  15 o 55.38338 3.888265  30.96298       3.030541  34.47003       6.061082  27.45594       6.061082  58.54954 5.176030  52.21724 5.803718  6.332302       7.776530  
1 1 1 25 6  16 o 55.70734 5.233484  34.42714       3.564222  52.47219       7.128443  16.38207       7.128443  72.18364 4.937714  39.23104 9.229106  32.95260       10.46697  
1 1 1 25 6  17 o 29.16315 7.471500  7.447699       3.988307  8.767603       7.976613  6.127792       7.976613  30.46547 10.62753  27.86083 10.50470  2.604647       14.94300  
1 1 1 25 6  18 o 42.72877 7.367806  19.81764       4.426687  17.43991       8.853374  22.19538       8.853374  40.10894 10.79646  45.34859 10.02869  -5.239658      14.73561  
1 1 1 25 6  19 o 38.43162 7.919720  15.40525       4.984192  24.42540       9.968384  6.385102       9.968384  47.21314 10.78815  29.65011 11.59757  17.56303       15.83944  
1 1 1 25 6  20 o 110.1999 3.758718  124.0139       5.832363  137.0986       11.66473  110.9292       11.66473  116.1367 5.021979  104.2631 5.593887  11.87360       7.517436  
1 1 1 25 6  21 o 38.17695 9.630823  15.35760       6.742478  21.29003       13.48496  9.425174       13.48496  42.68407 13.84254  33.66983 13.39384  9.014233       19.26165  
1 1 1 25 6  22 o 24.94876 11.63249  -8.272044      14.19018  -8.272044      14.19018  ?              ?         24.94876 11.63249  ?        ?         ?              ?         
1 1 1 25 7  0  f 434.2668 4.825955  1887.322       41.90343  1887.322       41.90343  1887.322       41.90343  434.2668 4.825955  434.2668 4.825955  0.000000       0.000000  
1 1 1 25 7  1  o 264.5941 1.650354  700.2361       6.175443  703.8003       12.35089  696.6719       12.35089  265.2677 2.328004  263.9206 2.339887  1.347076       3.300708  
1 1 1 25 7  2  o 381.3791 2.263958  1455.627       12.20317  1396.679       24.40634  1514.575       24.40634  373.6508 3.265929  389.1074 3.136196  -15.45651      4.527915  
1 1 1 25 7  3  o 78.39629 1.251652  61.64006       1.381850  68.15858       2.763701  55.12154       2.763701  82.55370 1.673881  74.23888 1.861357  8.314827       2.503303  
1 1 1 25 7  4  o 433.3710 2.421150  1879.131       14.83822  1861.191       29.67643  1897.071       29.67643  431.3011 3.440338  435.4408 3.407631  -4.139679      4.842300  
1 1 1 25 7  5  o 349.2650 2.014773  1220.522       9.949325  1189.907       19.89865  1251.137       19.89865  344.8822 2.884847  353.6478 2.813342  -8.765594      4.029545  
1 1 1 25 7  6  o 205.1343 1.512679  421.4930       4.379037  453.1422       8.758074  389.8438       8.758074  212.8485 2.057349  197.4200 2.218132  15.42851       3.025358  
1 1 1 25 7  7  o 293.9745 1.843016  865.2671       7.652593  815.2727       15.30519  915.2615       15.30519  285.4713 2.680688  302.4777 2.529970  -17.00638      3.686032  
1 1 1 25 7  8  o 140.7738 1.395182  199.3391       2.754171  229.1013       5.508343  169.5769       5.508343  151.3448 1.819799  130.2029 2.115292  21.14188       2.790364  
1 1 1 25 7  9  f 155.7215 1.311319  242.5672       2.887591  238.9458       5.775182  246.1886       5.775182  154.5587 1.868281  156.8843 1.840586  -2.325577      2.622638  
1 1 1 25 7  10 o 130.0965 1.422325  169.3434       2.615986  164.3068       5.231973  174.3800       5.231973  128.1608 2.041175  132.0323 1.981323  -3.871429      2.844651  
1 1 1 25 7  11 o 240.8907 1.584507  582.1832       5.374923  644.1329       10.74985  520.2333       10.74985  253.7491 2.118203  228.0322 2.357090  25.71700       3.169015  
1 1 1 25 7  12 o 124.8172 1.793291  156.4064       3.149666  138.4043       6.299332  174.4086       6.299332  117.6058 2.678156  132.0286 2.385594  -14.42284      3.586583  
1 1 1 25 7  13 o 134.2579 1.709101  180.3887       3.244966  178.8115       6.489933  181.9659       6.489933  133.6705 2.427585  134.8453 2.406436  -1.174774      3.418202  
1 1 1 25 7  14 o 193.0562 1.596928  373.0043       4.359977  372.9663       8.719954  373.0424       8.719954  193.0463 2.258513  193.0661 2.258282  -0.1974487E-01 3.193857  
1 1 1 25 7  15 o 64.33886 3.970141  45.75831       3.097251  72.00871       6.194502  19.50792       6.194502  84.73897 3.655050  43.93875 7.049020  40.80022       7.940281  
1 1 1 25 7  16 o 48.99062 5.411781  25.00197       3.602341  20.12737       7.204682  29.87656       7.204682  43.67894 8.552270  54.30231 6.633865  -10.62336      10.82356  
1 1 1 25 7  17 o 65.79468 4.202794  44.12392       3.869182  36.83347       7.738363  51.41437       7.738363  60.25437 6.421412  71.33498 5.423961  -11.08061      8.405587  
1 1 1 25 7  18 o 113.2955 3.040948  129.5080       4.865067  121.4122       9.730133  137.6037       9.730133  109.7227 4.433966  116.8684 4.162860  -7.145676      6.081896  
1 1 1 25 7  19 o 63.59397 6.982751  44.15728       5.851423  58.93355       11.70285  29.38100       11.70285  75.63239 7.736663  51.55555 11.62666  24.07684       13.96550  
1 1 1 25 7  20 o 57.99992 7.546869  36.98594       5.999137  44.15251       11.99827  29.81938       11.99827  64.63610 9.281404  51.36374 11.90279  13.27236       15.09374  
1 1 1 25 7  21 o 60.13990 7.880957  42.99938       6.437518  19.15531       12.87504  66.84344       12.87504  40.70491 13.52744  79.57490 8.089886  -38.86999      15.76191  
1 1 1 25 7  22 f 45.91383 14.64704  26.76025       15.14318  26.76025       15.14318  ?              ?         45.91383 14.64704  ?        ?         ?              ?         
1 1 1 25 8  0  o 236.3744 2.917961  559.0682       13.78991  559.0682       13.78991  559.0682       13.78991  236.3744 2.917961  236.3744 2.917961  0.000000       0.000000  
1 1 1 25 8  1  o 219.2354 1.428627  480.9078       4.426687  461.4904       8.853374  500.3252       8.853374  214.8070 2.060774  223.6638 1.979170  -8.856873      2.857255  
1 1 1 25 8  2  o 234.8997 1.512524  552.0397       5.022312  571.1808       10.04462  532.8987       10.04462  238.9740 2.101615  230.8254 2.175806  8.148590       3.025048  
1 1 1 25 8  3  o 202.0908 1.322611  408.5656       3.778647  421.2643       7.557293  395.8668       7.557293  205.2326 1.841153  198.9490 1.899305  6.283661       2.645223  
1 1 1 25 8  4  o 419.4316 2.420736  1760.349       14.35695  1794.490       28.71390  1726.208       28.71390  423.5016 3.390058  415.3617 3.456494  8.139923       4.841472  
1 1 1 25 8  5  o 489.7510 2.728762  2402.438       18.87417  2258.325       37.74835  2546.550       37.74835  475.0381 3.973191  504.4638 3.741432  -29.42569      5.457524  
1 1 1 25 8  6  o 325.4211 1.942267  1059.741       8.934379  1097.342       17.86876  1022.141       17.86876  331.1983 2.697592  319.6439 2.795104  11.55444       3.884535  
1 1 1 25 8  7  o 209.1774 1.428942  437.6940       4.226557  445.9279       8.453114  429.4601       8.453114  211.1456 2.001726  207.2092 2.039753  3.936340       2.857884  
1 1 1 25 8  8  o 32.90066 3.748760  11.46459       1.620101  15.91511       3.240201  7.014082       3.240201  39.87117 4.063339  25.93015 6.300959  13.94102       7.497519  
1 1 1 25 8  9  o 145.4323 1.343626  212.0378       2.754171  191.9915       5.508343  232.0842       5.508343  138.5404 1.987992  152.3243 1.808097  -13.78398      2.687252  
1 1 1 25 8  10 o 182.9392 1.451456  334.7985       3.754822  339.7923       7.509643  329.8048       7.509643  184.3041 2.037297  181.5744 2.067925  2.729706       2.902911  
1 1 1 25 8  11 f 236.1314 1.616126  559.3540       5.374923  617.4966       10.74985  501.2115       10.74985  248.4429 2.163444  223.8199 2.401449  24.62297       3.232251  
1 1 1 25 8  12 o 218.8597 1.796626  479.8310       5.551227  512.3235       11.10245  447.3384       11.10245  226.2828 2.453225  211.4365 2.625482  14.84628       3.593253  
1 1 1 25 8  13 o 164.1431 1.661777  270.1851       3.845356  294.9250       7.690712  245.4453       7.690712  171.6791 2.239851  156.6070 2.455418  15.07214       3.323554  
1 1 1 25 8  14 o 80.34608 2.742992  64.84690       3.106781  70.81746       6.213562  58.87636       6.213562  84.06160 3.695839  76.63056 4.054233  7.431038       5.485984  
1 1 1 25 8  15 o 204.2195 1.882773  417.9621       5.432102  439.6953       10.86420  396.2290       10.86420  209.5406 2.592387  198.8985 2.731092  10.64204       3.765546  
1 1 1 25 8  16 o 36.51302 7.081985  14.07105       3.893007  18.85035       7.786013  9.291754       7.786013  42.04540 9.484504  30.98063 10.51961  11.06477       14.16397  
1 1 1 25 8  17 o 37.62734 7.386751  15.12412       4.126492  18.35479       8.252983  11.89345       8.252983  41.30037 10.06858  33.95432 10.81111  7.346050       14.77350  
1 1 1 25 8  18 o 65.52345 5.146430  44.12868       4.741177  49.47978       9.482354  38.77758       9.482354  69.60679 6.811372  61.44010 7.716747  8.166691       10.29286  
1 1 1 25 8  19 o 178.4414 2.503876  320.4750       6.318392  317.2348       12.63678  323.7151       12.63678  177.5335 3.558986  179.3493 3.522953  -1.815842      5.007752  
1 1 1 25 8  20 o 85.77271 4.703919  75.73495       5.703707  73.38103       11.40741  78.08885       11.40741  84.40053 6.757905  87.14489 6.545085  -2.744362      9.407838  
1 1 1 25 8  21 o 23.03186 7.672139  -11.59325      6.528053  -6.747242      13.05611  -16.43926      13.05611  24.68452 11.37323  21.37921 10.30032  3.305315       15.34428  
1 1 1 25 8  22 o 59.26370 9.458897  43.31863       7.752658  46.02992       15.50532  40.60735       15.50532  61.49003 13.00797  57.03737 13.73592  4.452660       18.91779  
1 1 1 25 9  0  o 108.4169 2.556695  117.7527       5.536932  117.7527       5.536932  117.7527       5.536932  108.4169 2.556695  108.4169 2.556695  0.000000       0.000000  
1 1 1 25 9  1  o 357.2066 2.053676  1278.812       10.34482  1390.285       20.68964  1167.340       20.68964  372.8099 2.774824  341.6032 3.028314  31.20673       4.107351  
1 1 1 25 9  2  o 282.9807 1.659901  800.9968       6.642413  811.5465       13.28483  790.4471       13.28483  284.8448 2.331941  281.1167 2.362867  3.728058       3.319803  
1 1 1 25 9  3  o 361.4119 2.267942  1307.393       11.58372  1251.213       23.16744  1363.572       23.16744  353.6397 3.275572  369.1841 3.137655  -15.54437      4.535884  
1 1 1 25 9  4  o 571.0593 3.110745  3265.408       25.10679  3132.808       50.21359  3398.009       50.21359  559.4492 4.487770  582.6693 4.308928  -23.22009      6.221490  
1 1 1 25 9  5  f 221.3320 1.556049  490.3664       4.865067  463.3964       9.730133  517.3362       9.730133  215.2394 2.260305  227.4246 2.139200  -12.18527      3.112098  
1 1 1 25 9  6  o 176.8865 1.304946  312.9701       3.264026  318.3784       6.528053  307.5618       6.528053  178.4153 1.829454  175.3578 1.861352  3.057480       2.609892  
1 1 1 25 9  7  o 240.1007 1.607045  577.3896       5.446397  536.3105       10.89279  618.4688       10.89279  231.5461 2.352187  248.6552 2.190341  -17.10910      3.214090  
1 1 1 25 9  8  o 209.1499 1.458458  437.6750       4.312327  424.1900       8.624654  451.1599       8.624654  205.9261 2.094113  212.3737 2.030538  -6.447510      2.916915  
1 1 1 25 9  9  o 221.6890 1.507727  491.6386       4.726882  494.8454       9.453763  488.4318       9.453763  222.4122 2.125280  220.9657 2.139193  1.446533       3.015453  
1 1 1 25 9  10 o 422.7273 2.436135  1789.220       14.55708  1852.213       29.11416  1726.227       29.11416  430.1781 3.383966  415.2765 3.505395  14.90164       4.872271  
1 1 1 25 9  11 o 101.5241 1.699370  103.1337       2.439681  104.7252       4.879362  101.5422       4.879362  102.3079 2.384646  100.7403 2.421754  1.567612       3.398740  
1 1 1 25 9  12 o 300.5283 2.021163  904.7930       8.577003  847.0363       17.15401  962.5495       17.15401  290.9191 2.948244  310.1375 2.765549  -19.21838      4.042326  
1 1 1 25 9  13 o 322.8698 2.029004  1045.770       9.234573  948.8453       18.46915  1142.695       18.46915  307.8599 2.999603  337.8797 2.733095  -30.01978      4.058007  
1 1 1 25 9  14 o 79.82661 2.608531  63.86532       2.944771  63.44124       5.889543  64.28941       5.889543  79.56098 3.701275  80.09224 3.676725  -0.5312576     5.217063  
1 1 1 25 9  15 o 78.37263 3.018271  61.83543       3.330736  68.46355       6.661473  55.20731       6.661473  82.60122 4.032309  74.14404 4.492251  8.457184       6.036542  
1 1 1 25 9  16 o 108.0481 2.804302  117.3191       4.283737  113.9693       8.567473  120.6689       8.567473  106.4979 4.022366  109.5982 3.908582  -3.100281      5.608604  
1 1 1 25 9  17 o 116.8907 2.923933  138.6758       4.769767  164.3640       9.539534  112.9877       9.539534  127.8788 3.729913  105.9026 4.503920  21.97619       5.847867  
1 1 1 25 9  18 o 41.58746 7.808297  18.95994       4.707822  22.02384       9.415645  15.89605       9.415645  44.86716 10.64028  38.30774 11.43077  6.559422       15.61659  
1 1 1 25 9  19 o 141.2784 2.718393  201.3451       5.422573  214.4060       10.84515  188.2843       10.84515  145.9007 3.716618  136.6559 3.968047  9.244797       5.436786  
1 1 1 25 9  20 o 79.96024 4.998478  66.27641       5.617938  74.42933       11.23588  58.12350       11.23588  85.05834 6.604805  74.86213 7.504378  10.19621       9.996956  
1 1 1 25 9  21 f 65.62106 8.453420  49.88004       7.533468  63.05050       15.06694  36.70958       15.06694  76.11890 9.896976  55.12321 13.70734  20.99569       16.90684  
1 1 1 25 9  22 o 67.74010 8.425444  54.45444       7.833663  61.62100       15.66733  47.28788       15.66733  73.57643 10.64697  61.90377 13.06118  11.67266       16.85089  
1 1 1 25 10 0  o 254.0527 3.352999  645.9151       17.03012  645.9151       17.03012  645.9151       17.03012  254.0527 3.352999  254.0527 3.352999  0.000000       0.000000  
1 1 1 25 10 1  o 300.3102 1.771799  902.1769       7.523938  918.6639       15.04788  885.6899       15.04788  303.0551 2.482696  297.5652 2.528501  5.489960       3.543599  
1 1 1 25 10 2  o 214.8416 1.564033  462.9914       4.731647  512.3998       9.463295  413.5831       9.463295  226.3404 2.090500  203.3429 2.326931  22.99756       3.128066  
1 1 1 25 10 3  o 183.7136 1.445610  337.6337       3.754822  328.5469       7.509643  346.7206       7.509643  181.2405 2.071735  186.1867 2.016698  -4.946198      2.891220  
1 1 1 25 10 4  o 369.3648 2.102724  1364.921       10.98333  1379.516       21.96666  1350.325       21.96666  371.3405 2.957752  367.3891 2.989563  3.951416       4.205447  
1 1 1 25 10 5  o 386.1871 2.216079  1492.156       12.10310  1488.301       24.20621  1496.011       24.20621  385.6880 3.138056  386.6862 3.129956  -0.9981689     4.432157  
1 1 1 25 10 6  o 529.1205 2.960495  2803.317       22.14296  2705.673       44.28593  2900.962       44.28593  519.8934 4.259135  538.3476 4.113135  -18.45416      5.920990  
1 1 1 25 10 7  o 416.5507 2.355029  1737.315       13.86139  1820.269       27.72278  1654.361       27.72278  426.5080 3.249972  406.5934 3.409153  19.91452       4.710058  
1 1 1 25 10 8  o 130.6311 1.389777  171.0779       2.558806  187.2836       5.117612  154.8721       5.117612  136.8340 1.870007  124.4283 2.056451  12.40575       2.779553  
1 1 1 25 10 9  o 205.8963 1.493926  424.6760       4.340917  392.9697       8.681833  456.3823       8.681833  198.1967 2.190206  213.5959 2.032303  -15.39919      2.987852  
1 1 1 25 10 10 o 136.0705 1.417129  185.4920       2.720816  199.9204       5.441632  171.0636       5.441632  141.3723 1.924575  130.7687 2.080633  10.60365       2.834258  
1 1 1 25 10 11 o 117.5588 1.602576  138.7902       2.649341  121.8411       5.298682  155.7393       5.298682  110.3501 2.400851  124.7676 2.123420  -14.41756      3.205152  
1 1 1 25 10 12 o 132.8094 1.669620  176.6815       3.130606  164.8500       6.261212  188.5130       6.261212  128.3551 2.439020  137.2637 2.280724  -8.908630      3.339239  
1 1 1 25 10 13 o 235.0626 1.746525  553.1072       5.803772  570.5804       11.60754  535.6339       11.60754  238.7793 2.430601  231.3459 2.508699  7.433456       3.493049  
1 1 1 25 10 14 o 153.7044 1.760376  236.5109       3.826297  233.4184       7.652593  239.6033       7.652593  152.6984 2.505787  154.7104 2.473200  -2.011978      3.520751  
1 1 1 25 10 15 o 213.8842 1.991538  458.2978       6.022963  448.6725       12.04593  467.9232       12.04593  211.6340 2.845933  216.1343 2.786676  -4.500244      3.983076  
1 1 1 25 10 16 o 161.8262 1.988428  262.4992       4.550577  260.7504       9.101154  264.2480       9.101154  161.2859 2.821436  162.3665 2.802658  -1.080643      3.976857  
1 1 1 25 10 17 o 112.9596 2.728916  128.5788       4.345681  140.2816       8.691362  116.8760       8.691362  118.1397 3.678425  107.7795 4.032011  10.36021       5.457831  
1 1 1 25 10 18 o 145.5724 2.597922  213.8961       5.327272  192.1535       10.65454  235.6389       10.65454  138.1044 3.857424  153.0404 3.480958  -14.93600      5.195844  
1 1 1 25 10 19 o 24.74553 7.469921  -4.174142      5.198617  7.433403       10.39723  -15.78169      10.39723  30.77390 11.88381  18.71716 9.053945  12.05675       14.93984  
1 1 1 25 10 20 o 65.60176 7.990176  49.90387       6.861602  74.38168       13.72320  25.42605       13.72320  84.38413 8.131391  46.81939 13.75689  37.56474       15.98035  
1 1 1 25 10 21 o 45.25076 9.280100  24.24909       6.599527  33.14535       13.19905  15.35284       13.19905  52.99173 12.61769  37.50980 13.61158  15.48194       18.56020  
1 1 1 25 10 22 o 22.74107 11.08955  -21.10896      16.41067  -21.10896      16.41067  ?              ?         22.74107 11.08955  ?        ?         ?              ?         
1 1 1 25 11 0  o 485.1739 5.389415  2356.351       52.28160  2356.351       52.28160  2356.351       52.28160  485.1739 5.389415  485.1739 5.389415  0.000000       0.000000  
1 1 1 25 11 1  o 247.0334 1.657790  610.5588       5.789477  591.3844       11.57895  629.7331       11.57895  243.1525 2.381006  250.9144 2.307352  -7.761841      3.315579  
1 1 1 25 11 2  o 190.5491 1.280207  363.1456       3.449862  362.4832       6.899723  363.8079       6.899723  190.3754 1.812137  190.7229 1.808834  -0.3475800     2.560414  
1 1 1 25 11 3  o 424.7436 2.463288  1805.588       14.79056  1864.259       29.58113  1746.916       29.58113  431.6503 3.426516  417.8369 3.539794  13.81345       4.926577  
1 1 1 25 11 4  o 258.8832 1.640486  670.5453       6.003902  649.6794       12.00780  691.4114       12.00780  254.8532 2.355828  262.9132 2.283607  -8.059982      3.280973  
1 1 1 25 11 5  o 219.1814 1.520150  480.8077       4.707822  457.4497       9.415645  504.1658       9.415645  213.8529 2.201430  224.5099 2.096933  -10.65694      3.040300  
1 1 1 25 11 6  o 133.7491 1.320059  178.9258       2.496861  179.9265       4.993722  177.9252       4.993722  134.1232 1.861617  133.3751 1.872060  0.7481537      2.640119  
1 1 1 25 11 7  o 277.1013 1.761194  772.9261       6.837778  651.9667       13.67556  893.8858       13.67556  255.2755 2.678588  298.9272 2.287439  -43.65173      3.522388  
1 1 1 25 11 8  o 121.8490 1.396571  148.5251       2.406326  151.0124       4.812652  146.0378       4.812652  122.8697 1.958437  120.8284 1.991524  2.041328       2.793142  
1 1 1 25 11 9  o 178.4124 1.456416  319.0217       3.664287  291.2941       7.328573  346.7492       7.328573  170.6418 2.147356  186.1831 1.968109  -15.54126      2.912832  
1 1 1 25 11 10 o 203.9099 1.502272  415.9942       4.331387  424.9143       8.662774  407.0741       8.662774  206.0972 2.101623  201.7227 2.147199  4.374527       3.004544  
1 1 1 25 11 11 o 227.4711 1.615125  518.1415       5.189087  487.8981       10.37817  548.3850       10.37817  220.8233 2.349882  234.1189 2.216433  -13.29552      3.230251  
1 1 1 25 11 12 o 309.2910 1.943463  957.4224       8.500763  959.3569       17.00153  955.4877       17.00153  309.6038 2.745691  308.9783 2.751250  0.6255188      3.886926  
1 1 1 25 11 13 o 155.5909 1.786689  242.3051       3.931127  245.6454       7.862253  238.9648       7.862253  156.6643 2.509268  154.5175 2.544131  2.146835       3.573378  
1 1 1 25 11 14 f 110.8020 2.180459  122.9895       3.416506  121.3741       6.833013  124.6048       6.833013  110.0731 3.103853  111.5309 3.063282  -1.457848      4.360917  
1 1 1 25 11 15 o 150.7623 2.133037  228.4723       4.526752  253.7744       9.053504  203.1701       9.053504  159.1537 2.844265  142.3709 3.179550  16.78282       4.266073  
1 1 1 25 11 16 o 61.20764 4.755464  38.63464       4.007367  28.62813       8.014733  48.64114       8.014733  53.03342 7.556305  69.38187 5.775813  -16.34845      9.510928  
1 1 1 25 11 17 o 146.2414 2.484090  214.8873       5.136672  219.3426       10.27334  210.4320       10.27334  147.7646 3.476253  144.7181 3.549433  3.046509       4.968179  
1 1 1 25 11 18 o 161.2841 2.763704  262.4801       6.289802  242.5005       12.57960  282.4598       12.57960  155.0901 4.055579  167.4780 3.755599  -12.38786      5.527408  
1 1 1 25 11 19 o 35.79852 9.005666  10.94997       6.232623  20.56575       12.46525  1.334201       12.46525  43.00733 13.21746  28.58970 12.23547  14.41763       18.01133  
1 1 1 25 11 20 o 83.59256 6.158950  74.10531       7.209448  85.43649       14.41890  62.77414       14.41890  90.37018 7.977685  76.81493 9.385478  13.55524       12.31790  
1 1 1 25 11 21 o 66.30025 8.130594  50.03728       7.390518  56.88460       14.78104  43.18998       14.78104  71.98989 10.26605  60.61061 12.61089  11.37928       16.26119  
1 1 1 25 12 0  o 37.77205 5.116144  15.04788       3.754822  15.04788       3.754822  15.04788       3.754822  37.77205 5.116144  37.77205 5.116144  0.000000       0.000000  
1 1 1 25 12 1  o 187.6397 1.332472  352.1622       3.535631  347.3114       7.071262  357.0130       7.071262  186.3471 1.897336  188.9323 1.871375  -2.585159      2.664944  
1 1 1 25 12 2  o 81.96671 1.471651  68.08235       1.672516  52.67233       3.345031  83.49236       3.345031  72.56654 2.304803  91.36687 1.830549  -18.80032      2.943302  
1 1 1 25 12 3  o 134.2170 1.311406  181.8801       2.453976  216.9696       4.907952  146.7906       4.907952  147.2889 1.666097  121.1451 2.025651  26.14382       2.622812  
1 1 1 25 12 4  o 304.9897 1.797501  931.2862       7.743128  985.4786       15.48626  877.0939       15.48626  313.8740 2.466955  296.1054 2.614991  17.76859       3.595003  
1 1 1 25 12 5  o 297.2631 1.791392  884.5179       7.523938  928.3940       15.04788  840.6417       15.04788  304.6432 2.469754  289.8831 2.595507  14.76004       3.582785  
1 1 1 25 12 6  o 368.9564 2.129951  1363.720       11.09293  1459.920       22.18585  1267.519       22.18585  381.9933 2.903958  355.9196 3.116694  26.07370       4.259901  
1 1 1 25 12 7  o 336.5900 2.056373  1134.080       9.782549  1179.881       19.56510  1088.279       19.56510  343.3937 2.848785  329.7863 2.966329  13.60739       4.112747  
1 1 1 25 12 8  o 117.6739 1.406039  138.8998       2.330086  153.5379       4.660172  124.2617       4.660172  123.8937 1.880714  111.4542 2.090622  12.43952       2.812079  
1 1 1 25 12 9  o 150.0283 1.436634  225.5561       3.040071  206.6391       6.080142  244.4732       6.080142  143.7238 2.115217  156.3328 1.944615  -12.60898      2.873268  
1 1 1 25 12 10 o 190.4674 1.483269  363.6316       3.983541  331.3964       7.967083  395.8668       7.967083  182.0052 2.188696  198.9295 2.002489  -16.92430      2.966539  
1 1 1 25 12 11 o 367.1295 2.254273  1349.239       11.70285  1372.730       23.40569  1325.747       23.40569  370.3289 3.160122  363.9302 3.215684  6.398712       4.508547  
1 1 1 25 12 12 o 169.0838 1.703639  286.3051       4.069312  301.7199       8.138623  270.8904       8.138623  173.6421 2.343505  164.5255 2.473363  9.116653       3.407277  
1 1 1 25 12 13 o 159.5088 1.830320  255.1706       4.116962  277.4565       8.233924  232.8847       8.233924  166.4946 2.472730  152.5230 2.699239  13.97159       3.660640  
1 1 1 25 12 14 o 204.8507 1.799148  420.6449       5.203382  392.4837       10.40676  448.8060       10.40676  197.9771 2.628275  211.7243 2.457622  -13.74719      3.598296  
1 1 1 25 12 15 o 88.34439 2.962682  78.45576       3.697641  74.33403       7.395282  82.57748       7.395282  86.01163 4.299002  90.67715 4.077809  -4.665520      5.925364  
1 1 1 25 12 16 o 66.36948 4.411287  45.64872       3.993072  59.31474       7.986144  31.98269       7.986144  76.66489 5.208475  56.07407 7.121066  20.59082       8.822574  
1 1 1 25 12 17 o 153.7516 2.619107  237.6402       5.694177  233.2182       11.38835  242.0621       11.38835  152.3136 3.738456  155.1896 3.669174  -2.876022      5.238214  
1 1 1 25 12 18 o 63.06117 6.366230  42.62294       5.341567  54.59740       10.68313  30.64849       10.68313  72.94333 7.322901  53.17902 10.41588  19.76431       12.73246  
1 1 1 25 12 19 o 146.2658 3.253942  216.5598       6.728183  209.6505       13.45637  223.4691       13.45637  143.9039 4.675468  148.6277 4.526871  -4.723755      6.507885  
1 1 1 25 12 20 o 59.61110 8.116611  40.49775       6.623353  28.34223       13.24671  52.65327       13.24671  49.07221 13.20499  70.14999 9.441701  -21.07779      16.23322  
1 1 1 25 12 21 o 55.14148 9.469262  37.11936       8.186274  17.43038       16.37255  56.80835       16.37255  39.47198 15.00057  70.81098 11.56074  -31.33900      18.93852  
1 1 1 25 13 0  o 162.8831 2.593385  265.5536       8.443583  265.5536       8.443583  265.5536       8.443583  162.8831 2.593385  162.8831 2.593385  0.000000       0.000000  
1 1 1 25 13 1  o 376.8056 2.149330  1421.896       11.43600  1512.354       22.87201  1331.437       22.87201  388.8090 2.941291  364.8022 3.134850  24.00674       4.298660  
1 1 1 25 13 2  o 334.0210 1.965048  1116.140       9.282225  1107.434       18.56445  1124.845       18.56445  332.7178 2.789819  335.3241 2.768135  -2.606323      3.930097  
1 1 1 25 13 3  o 243.9408 1.598137  597.6456       5.479752  673.5615       10.95950  521.7296       10.95950  259.5011 2.111649  228.3804 2.399397  31.12068       3.196274  
1 1 1 25 13 4  o 304.9056 1.806098  930.5381       7.781249  974.9957       15.56250  886.0807       15.56250  312.1960 2.492424  297.6152 2.614533  14.58075       3.612196  
1 1 1 25 13 5  o 71.59161 1.781200  51.40484       1.796406  46.19193       3.592812  56.61775       3.592812  67.95089 2.643682  75.23235 2.387810  -7.281456      3.562400  
1 1 1 25 13 6  o 270.5917 1.699695  732.4761       6.504228  736.3453       13.00846  728.6069       13.00846  271.3066 2.397372  269.8767 2.410074  1.429901       3.399389  
1 1 1 25 13 7  o 265.1544 1.734389  704.7152       6.485168  643.3991       12.97034  766.0313       12.97034  253.5921 2.557323  276.7168 2.343612  -23.12466      3.468777  
1 1 1 25 13 8  o 191.1300 1.505375  367.1339       4.040722  416.9377       8.081444  317.3301       8.081444  204.1588 1.979206  178.1012 2.268778  26.05756       3.010749  
1 1 1 25 13 9  o 315.2632 1.906819  995.2850       8.491233  938.7530       16.98247  1051.817       16.98247  306.2973 2.772219  324.2290 2.618900  -17.93170      3.813638  
1 1 1 25 13 10 o 154.3660 1.547752  238.4169       3.378386  233.8949       6.756773  242.9388       6.756773  152.9013 2.209522  155.8307 2.167986  -2.929398      3.095505  
1 1 1 25 13 11 o 162.5277 1.627948  264.3432       3.740526  272.3675       7.481052  256.3190       7.481052  164.9963 2.267036  160.0592 2.336965  4.937164       3.255896  
1 1 1 25 13 12 o 157.6639 1.644742  248.8856       3.664287  260.5027       7.328573  237.2685       7.328573  161.3480 2.271045  153.9798 2.379719  7.368240       3.289485  
1 1 1 25 13 13 o 207.6574 1.699111  431.6568       4.988957  440.8676       9.977913  422.4460       9.977913  209.8752 2.377107  205.4396 2.428430  4.435562       3.398221  
1 1 1 25 13 14 o 152.6421 1.954388  233.4375       4.217027  225.4037       8.434053  241.4712       8.434053  150.0105 2.811155  155.2736 2.715868  -5.263153      3.908776  
1 1 1 25 13 15 o 92.37621 2.768455  85.86057       3.607106  78.67971       7.214212  93.04142       7.214212  88.48946 4.076312  96.26295 3.747139  -7.773491      5.536909  
1 1 1 25 13 16 o 52.96446 5.588585  29.54778       3.964482  37.23373       7.928963  21.86183       7.928963  60.56520 6.545808  45.36373 9.059887  15.20147       11.17717  
1 1 1 25 13 17 o 104.1482 3.141739  109.5331       4.612522  99.48371       9.225043  119.5825       9.225043  99.32364 4.643932  108.9728 4.232729  -9.649132      6.283478  
1 1 1 25 13 18 o 131.7386 2.974352  175.1376       5.536932  167.0800       11.07386  183.1953       11.07386  128.6804 4.302857  134.7968 4.107615  -6.116379      5.948704  
1 1 1 25 13 19 o 99.11653 4.072260  100.6845       5.665587  86.80881       11.33117  114.5602       11.33117  92.11684 6.150436  106.1162 5.339041  -13.99937      8.144521  
1 1 1 25 13 20 o 35.96509 9.483670  12.61772       6.585233  16.97294       13.17047  8.262513       13.17047  39.14922 13.65608  32.78096 13.16326  6.368263       18.96734  
1 1 1 25 13 21 o 55.12817 9.486148  37.58157       7.490582  27.44641       14.98116  47.71673       14.98116  46.63134 14.52238  63.62498 12.20854  -16.99364      18.97230  
1 1 1 25 14 0  o 104.2653 2.567266  108.9279       5.346332  108.9279       5.346332  108.9279       5.346332  104.2653 2.567266  104.2653 2.567266  0.000000       0.000000  
1 1 1 25 14 1  o 255.7667 1.594340  654.4254       5.765652  638.9105       11.53130  669.9402       11.53130  252.7337 2.281315  258.7997 2.227843  -6.066010      3.188681  
1 1 1 25 14 2  o 245.5284 1.565143  603.1826       5.432102  624.4631       10.86420  581.9020       10.86420  249.8620 2.174041  241.1948 2.252164  8.667221       3.130287  
1 1 1 25 14 3  f 155.1164 1.280405  241.8715       2.787526  207.6302       5.575052  276.1128       5.575052  144.0791 1.934719  166.1537 1.677679  -22.07458      2.560810  
1 1 1 25 14 4  f 535.9956 2.953260  2876.202       22.38121  2945.305       44.76243  2807.101       44.76243  542.4418 4.126013  529.5494 4.226464  12.89233       5.906520  
1 1 1 25 14 5  o 34.86800 3.346806  13.06087       1.472386  18.97424       2.944771  7.147503       2.944771  43.54447 3.381338  26.19154 5.776763  17.35294       6.693612  
1 1 1 25 14 6  o 240.7978 1.580452  581.5828       5.360627  641.3884       10.72125  521.7772       10.72125  253.2160 2.117018  228.3796 2.347245  24.83643       3.160905  
1 1 1 25 14 7  o 153.6163 1.362235  236.0630       2.959066  240.1752       5.918132  231.9508       5.918132  154.9547 1.909633  152.2778 1.943202  2.676926       2.724469  
1 1 1 25 14 8  o 408.3385 2.367388  1668.932       13.67079  1655.085       27.34158  1682.780       27.34158  406.6430 3.361866  410.0341 3.334062  -3.391083      4.734777  
1 1 1 25 14 9  o 277.3327 1.789575  769.5335       7.018848  770.2339       14.03770  768.8330       14.03770  277.4590 2.529689  277.2064 2.531993  0.2525635      3.579150  
1 1 1 25 14 10 o 274.3986 1.755006  754.2045       6.799657  705.2584       13.59931  803.1505       13.59931  265.4798 2.561271  283.3174 2.400014  -17.83759      3.510011  
1 1 1 25 14 11 o 126.5709 1.635652  160.8855       2.911416  180.4697       5.822832  141.3013       5.822832  134.3073 2.167727  118.8344 2.449977  15.47288       3.271304  
1 1 1 25 14 12 o 159.7166 1.645569  255.2755       3.716702  252.2211       7.433403  258.3298       7.433403  158.7604 2.341076  160.6727 2.313212  -1.912354      3.291138  
1 1 1 25 14 13 o 175.8529 1.717211  310.7448       4.245616  349.4081       8.491233  272.0816       8.491233  186.8459 2.272255  164.8598 2.575289  21.98613       3.434422  
1 1 1 25 14 14 o 105.1865 2.434493  110.9197       3.621402  111.6440       7.242803  110.1954       7.242803  105.5308 3.431606  104.8422 3.454144  0.6885529      4.868986  
1 1 1 25 14 15 o 192.4352 1.911500  371.7464       5.189087  341.5554       10.37817  401.9375       10.37817  184.5907 2.811131  200.2797 2.590920  -15.68896      3.822999  
1 1 1 25 14 16 o 98.93649 2.977069  98.58313       4.159847  104.4393       8.319694  92.72693       8.319694  101.8961 4.082441  95.97693 4.334216  5.919136       5.954137  
1 1 1 25 14 17 o 73.22530 4.773495  55.89347       4.765002  72.63769       9.530005  39.14925       9.530005  84.65865 5.628488  61.79194 7.711365  22.86671       9.546990  
1 1 1 25 14 18 o 98.22672 3.871201  98.12092       5.360627  89.25801       10.72125  106.9838       10.72125  93.71526 5.720122  102.7382 5.217756  -9.022911      7.742401  
1 1 1 25 14 19 o 117.8797 3.582490  141.4967       5.956253  153.2520       11.91251  129.7415       11.91251  122.8658 4.847770  112.8936 5.275989  9.972252       7.164979  
1 1 1 25 14 20 o 74.34601 7.558092  68.72562       6.661473  116.8474       13.32295  20.60387       13.32295  106.4767 6.256276  42.21536 13.76074  64.26129       15.11618  
1 1 1 25 14 21 o 43.10241 14.26815  22.93872       14.32360  22.93872       14.32360  ?              ?         43.10241 14.26815  ?        ?         ?              ?         
1 1 1 25 15 0  o 322.1451 3.738936  1038.580       24.08232  1038.580       24.08232  1038.580       24.08232  322.1451 3.738936  322.1451 3.738936  0.000000       0.000000  
1 1 1 25 15 1  o 245.4510 1.549731  606.1654       5.332037  513.6672       10.66407  698.6637       10.66407  226.6085 2.352973  264.2935 2.017468  -37.68500      3.099461  
1 1 1 25 15 2  o 135.8258 1.411345  185.8160       2.682696  216.6646       5.365392  154.9674       5.365392  147.1818 1.822710  124.4699 2.155298  22.71188       2.822690  
1 1 1 25 15 3  o 256.0695 1.677825  655.9740       6.075377  644.9335       12.15075  667.0145       12.15075  253.9137 2.392694  258.2253 2.352743  -4.311539      3.355649  
1 1 1 25 15 4  o 122.6253 1.357493  150.4121       2.353911  152.8422       4.707822  147.9819       4.707822  123.6162 1.904210  121.6344 1.935235  1.981773       2.714986  
1 1 1 25 15 5  f 110.4396 1.632217  122.0127       2.549276  122.2985       5.098552  121.7267       5.098552  110.5691 2.305596  110.3102 2.311007  0.2588806      3.264434  
1 1 1 25 15 6  o 162.2353 1.421018  263.3378       3.259262  255.6042       6.518523  271.0714       6.518523  159.8518 2.038927  164.6187 1.979885  -4.766907      2.842036  
1 1 1 25 15 7  o 74.96799 1.933415  56.25084       2.048951  54.35914       4.097902  58.14256       4.097902  73.70631 2.779885  76.22966 2.687865  -2.523346      3.866831  
1 1 1 25 15 8  f 217.0047 1.588841  471.4970       4.869832  498.8766       9.739664  444.1173       9.739664  223.3133 2.180718  210.6962 2.311306  12.61711       3.177682  
1 1 1 25 15 9  o 28.19850 4.861243  8.329224       1.987006  5.060432       3.974012  11.59801       3.974012  22.92693 7.515475  33.47006 6.168010  -10.54313      9.722486  
1 1 1 25 15 10 o 221.8091 1.574117  492.3104       4.936542  505.0045       9.873084  479.6165       9.873084  224.6705 2.197236  218.9476 2.254668  5.722931       3.148233  
1 1 1 25 15 11 o 157.2053 1.576082  247.3560       3.502276  256.2427       7.004553  238.4693       7.004553  160.0318 2.188488  154.3788 2.268625  5.652939       3.152164  
1 1 1 25 15 12 o 191.5549 1.654343  367.5961       4.474337  391.7404       8.948673  343.4518       8.948673  197.8571 2.261398  185.2527 2.415261  12.60437       3.308687  
1 1 1 25 15 13 o 55.74812 4.014173  31.50620       3.125841  37.14795       6.251682  25.86443       6.251682  60.80817 5.140495  50.68808 6.166818  10.12009       8.028345  
1 1 1 25 15 14 o 139.5748 2.116882  195.4699       4.169377  210.3272       8.338754  180.6126       8.338754  144.8971 2.877474  134.2524 3.105624  10.64468       4.233764  
1 1 1 25 15 15 o 71.40742 4.101807  52.82481       3.978776  69.49279       7.957553  36.15683       7.957553  83.07846 4.789180  59.73638 6.660559  23.34208       8.203614  
1 1 1 25 15 16 o 169.8477 2.135899  289.5739       5.127142  277.6090       10.25428  301.5389       10.25428  166.3255 3.082595  173.3700 2.957341  -7.044510      4.271798  
1 1 1 25 15 17 o 62.13457 5.503536  39.74011       4.831712  41.62705       9.663424  37.85318       9.663424  63.65300 7.590705  60.61614 7.970999  3.036861       11.00707  
1 1 1 25 15 18 o 74.12939 5.362064  57.08472       5.536932  68.11094       11.07386  46.05851       11.07386  81.56654 6.788240  66.69225 8.302212  14.87428       10.72413  
1 1 1 25 15 19 o 32.89922 9.120572  8.500764       6.232623  5.670352       12.46525  11.33117       12.46525  30.92085 12.65626  34.87759 13.13615  -3.956732      18.24114  
1 1 1 25 15 20 o 162.4627 3.390887  269.0940       7.790778  269.8134       15.58156  268.3745       15.58156  162.6842 4.788898  162.2413 4.801970  0.4428864      6.781774  
1 1 1 25 15 21 o 28.59641 12.71386  -0.2382501     14.67621  -0.2382501     14.67621  ?              ?         28.59641 12.71386  ?        ?         ?              ?         
1 1 1 25 16 0  f 325.2655 4.037353  1058.955       26.25516  1058.955       26.25516  1058.955       26.25516  325.2655 4.037353  325.2655 4.037353  0.000000       0.000000  
1 1 1 25 16 1  o 172.5932 1.310297  297.9984       3.197316  306.1704       6.394632  289.8264       6.394632  174.9606 1.827450  170.2258 1.878280  4.734818       2.620593  
1 1 1 25 16 2  o 209.9922 1.457765  442.2207       4.312327  397.2582       8.624654  487.1833       8.624654  199.2864 2.163884  220.6980 1.953949  -21.41153      2.915529  
1 1 1 25 16 3  o 316.7307 1.888515  1003.705       8.457878  983.7823       16.91576  1023.627       16.91576  313.5857 2.697150  319.8757 2.644114  -6.290039      3.777030  
1 1 1 25 16 4  o 269.3928 1.737881  726.1815       6.618587  703.7432       13.23717  748.6199       13.23717  265.2282 2.495431  273.5574 2.419451  -8.329254      3.475762  
1 1 1 25 16 5  o 218.1835 1.639561  477.0339       5.046137  516.2499       10.09227  437.8179       10.09227  227.1704 2.221300  209.1966 2.412151  17.97385       3.279123  
1 1 1 25 16 6  o 190.6611 1.462414  363.7888       3.940656  378.8272       7.881313  348.7505       7.881313  194.6048 2.024953  186.7174 2.110493  7.887466       2.924827  
1 1 1 25 16 7  o 86.92197 1.674060  75.80640       2.048951  83.93075       4.097902  67.68208       4.097902  91.59532 2.236960  82.24863 2.491167  9.346695       3.348120  
1 1 1 25 16 8  o 194.1180 1.454874  377.3024       3.988307  354.0968       7.976613  400.5080       7.976613  188.1409 2.119852  200.0952 1.993204  -11.95436      2.909748  
1 1 1 25 16 9  o 54.88140 2.902994  30.97728       2.163311  21.08037       4.326622  40.87419       4.326622  45.86476 4.716717  63.89803 3.385568  -18.03327      5.805987  
1 1 1 25 16 10 o 115.2336 1.650852  132.9483       2.687461  125.8914       5.374923  140.0053       5.374923  112.1716 2.395849  118.2956 2.271818  -6.124054      3.301704  
1 1 1 25 16 11 o 116.4758 1.718524  136.3886       2.811351  118.0100       5.622702  154.7673       5.622702  108.5863 2.589047  124.3652 2.260561  -15.77890      3.437048  
1 1 1 25 16 12 o 89.90442 2.265409  80.99550       2.878061  84.70267       5.756122  77.28833       5.756122  91.96615 3.129479  87.84268 3.276381  4.123466       4.530818  
1 1 1 25 16 13 o 93.20734 2.429415  87.08041       3.202081  85.81769       6.404162  88.34313       6.404162  92.52997 3.460588  93.88472 3.410652  -1.354752      4.858829  
1 1 1 25 16 14 o 66.92635 3.732469  45.11027       3.530867  43.43776       7.061733  46.78279       7.061733  65.67683 5.376122  68.17587 5.179056  -2.499039      7.464938  
1 1 1 25 16 15 o 150.0957 2.217597  226.4186       4.693527  206.5533       9.387053  246.2839       9.387053  143.4782 3.271248  156.7133 2.994977  -13.23509      4.435194  
1 1 1 25 16 16 o 91.76187 3.581187  85.65566       4.593462  100.4939       9.186924  70.81746       9.186924  99.84705 4.600499  83.67669 5.489536  16.17036       7.162373  
1 1 1 25 16 17 o 19.77802 6.472406  -10.39723      4.564872  -20.24173      9.129744  -0.5527402     9.129744  15.75576 7.796891  23.80029 10.33328  -8.044538      12.94481  
1 1 1 25 16 18 o 84.45764 4.704392  73.00460       5.617938  71.41785       11.23588  74.59134       11.23588  83.51826 6.726597  85.39701 6.578611  -1.878746      9.408785  
1 1 1 25 16 19 o 28.87726 8.681817  -1.629631      6.742478  -13.56120      13.48496  10.30193       13.48496  23.04471 10.91142  34.70982 13.50691  -11.66510      17.36363  
1 1 1 25 16 20 o 63.83247 8.529065  48.38860       7.390518  69.15924       14.78104  27.61795       14.78104  80.15177 9.220654  47.51317 14.35128  32.63860       17.05813  
1 1 1 25 16 21 o 53.63037 14.24655  36.77629       15.54344  36.77629       15.54344  ?              ?         53.63037 14.24655  ?        ?         ?              ?         
1 1 1 25 17 0  o 556.8090 6.074163  3104.818       67.62491  3104.818       67.62491  3104.818       67.62491  556.8090 6.074163  556.8090 6.074163  0.000000       0.000000  
1 1 1 25 17 1  o 66.13077 1.958705  43.78560       1.829761  41.37928       3.659522  46.19193       3.659522  64.31139 2.845158  67.95013 2.692800  -3.638741      3.917409  
1 1 1 25 17 2  o 146.9238 1.409625  216.5455       2.916181  239.8321       5.832363  193.2589       5.832363  154.8485 1.883248  138.9991 2.097986  15.84941       2.819249  
1 1 1 25 17 3  o 258.5400 1.861776  670.7884       6.775833  744.9794       13.55167  596.5974       13.55167  272.8881 2.483008  244.1919 2.774798  28.69618       3.723552  
1 1 1 25 17 4  o 129.1634 1.466051  166.8847       2.677931  166.0603       5.355862  167.7090       5.355862  128.8443 2.078425  129.4825 2.068180  -0.6382294     2.932101  
1 1 1 25 17 5  o 144.8343 1.470885  210.1175       3.006716  225.4704       6.013433  194.7647       6.013433  150.1344 2.002682  139.5341 2.154824  10.60030       2.941769  
1 1 1 25 17 6  o 199.4109 1.513186  398.8449       4.250381  439.8001       8.500763  357.8897       8.500763  209.6799 2.027081  189.1418 2.247193  20.53810       3.026373  
1 1 1 25 17 7  o 234.7370 1.734273  551.3489       5.756122  563.8522       11.51224  538.8455       11.51224  237.4002 2.424649  232.0737 2.480299  5.326523       3.468546  
1 1 1 25 17 8  o 340.5591 2.025360  1161.036       9.749195  1205.660       19.49839  1116.411       19.49839  347.1108 2.808670  334.0075 2.918855  13.10324       4.050721  
1 1 1 25 17 9  o 290.5168 1.826993  844.6681       7.504878  826.0225       15.00976  863.3135       15.00976  287.3079 2.612138  293.7259 2.555062  -6.417999      3.653985  
1 1 1 25 17 10 o 114.8629 1.766767  132.0620       2.868531  127.2732       5.737062  136.8508       5.737062  112.7784 2.543512  116.9475 2.452836  -4.169167      3.533534  
1 1 1 25 17 11 o 168.0173 1.588281  282.7171       3.769116  266.2111       7.538233  299.2231       7.538233  163.1053 2.310849  172.9293 2.179571  -9.823975      3.176563  
1 1 1 25 17 12 o 116.0037 1.947495  136.5459       3.130606  167.8520       6.261212  105.2398       6.261212  129.4973 2.417508  102.5101 3.053948  26.98713       3.894989  
1 1 1 25 17 13 o 160.3204 1.770054  257.4102       4.012132  264.2480       8.024263  250.5724       8.024263  162.4530 2.469719  158.1879 2.536308  4.265076       3.540109  
1 1 1 25 17 14 o 68.58983 3.614976  47.47371       3.497512  51.37625       6.995024  43.57118       6.995024  71.43466 4.896099  65.74499 5.319815  5.689674       7.229952  
1 1 1 25 17 15 o 16.40046 5.633747  -14.31407      4.131257  -10.48301      8.262513  -18.14513      8.262513  17.66479 8.433106  15.13612 7.472558  2.528668       11.26749  
1 1 1 25 17 16 o 29.26979 7.826855  6.008667       4.622052  1.238901       9.244103  10.77843       9.244103  25.29008 10.66778  33.24952 11.45588  -7.959440      15.65371  
1 1 1 25 17 17 o 83.09808 4.523027  71.07953       5.236737  57.32297       10.47347  84.83609       10.47347  74.82078 6.999042  91.37538 5.731015  -16.55460      9.046055  
1 1 1 25 17 18 o 165.1157 2.735955  274.9692       6.385102  285.5285       12.77020  264.4099       12.77020  168.3132 3.793585  161.9181 3.943415  6.395065       5.471910  
1 1 1 25 17 19 o 27.38857 8.542533  -1.772581      6.566173  -6.032492      13.13235  2.487331       13.13235  25.34347 11.56434  29.43368 12.57639  -4.090212      17.08507  
1 1 1 25 17 20 o 135.6372 4.109940  189.6661       7.881313  194.8790       15.76263  184.4532       15.76263  137.5589 5.729411  133.7156 5.894087  3.843292       8.219880  
1 1 1 25 17 21 o 27.15009 12.58693  -4.879362      16.31536  -4.879362      16.31536  ?              ?         27.15009 12.58693  ?        ?         ?              ?         
1 1 1 25 18 0  o 117.6059 2.917132  138.6044       6.852073  138.6044       6.852073  138.6044       6.852073  117.6059 2.917132  117.6059 2.917132  0.000000       0.000000  
1 1 1 25 18 1  o 159.1796 1.335642  253.4409       3.006716  253.2694       6.013433  253.6125       6.013433  159.1258 1.889522  159.2335 1.888243  -0.1077576     2.671283  
1 1 1 25 18 2  o 159.3237 1.319867  253.9317       2.973361  259.4829       5.946723  248.3805       5.946723  161.0658 1.846054  157.5815 1.886872  3.484268       2.639735  
1 1 1 25 18 3  o 210.5085 1.522157  443.2881       4.531517  442.5448       9.063033  444.0315       9.063033  210.3319 2.154460  210.6850 2.150849  -0.3531342     3.044314  
1 1 1 25 18 4  o 104.6531 1.705630  109.6760       2.520686  116.5043       5.041372  102.8478       5.041372  107.9154 2.335798  101.3908 2.486110  6.524658       3.411260  
1 1 1 25 18 5  o 303.3498 1.963898  921.1559       8.419759  883.1359       16.83952  959.1758       16.83952  297.0831 2.834143  309.6165 2.719415  -12.53339      3.927797  
1 1 1 25 18 6  o 87.17473 1.805920  76.16855       2.220491  69.76916       4.440981  82.56796       4.440981  83.50429 2.659134  90.84517 2.444258  -7.340881      3.611841  
1 1 1 25 18 7  o 301.5386 1.862756  909.7819       7.943258  901.0142       15.88652  918.5494       15.88652  300.0848 2.647005  302.9924 2.621603  -2.907623      3.725512  
1 1 1 25 18 8  o 219.4598 1.575139  482.1467       4.884127  458.2217       9.768253  506.0718       9.768253  214.0089 2.282207  224.9107 2.171585  -10.90179      3.150278  
1 1 1 25 18 9  o 121.7337 1.697218  148.4632       2.916181  137.7657       5.832363  159.1606       5.832363  117.3399 2.485242  126.1275 2.312090  -8.787560      3.394435  
1 1 1 25 18 10 o 145.7288 1.586130  212.5000       3.268791  214.3107       6.537583  210.6893       6.537583  146.3500 2.233544  145.1075 2.252669  1.242523       3.172260  
1 1 1 25 18 11 o 68.53264 2.806087  47.10681       2.716051  49.89910       5.432102  44.31452       5.432102  70.56984 3.848742  66.49545 4.084568  4.074394       5.612175  
1 1 1 25 18 12 o 97.29283 2.194841  96.09102       2.959066  118.1244       5.918132  74.05766       5.918132  108.6161 2.724336  85.96961 3.441991  22.64645       4.389682  
1 1 1 25 18 13 o 191.5859 1.783776  370.9935       4.765002  442.2970       9.530005  299.6900       9.530005  210.1946 2.266948  172.9771 2.754701  37.21751       3.567552  
1 1 1 25 18 14 o 43.38116 5.869748  19.64610       3.516572  22.50034       7.033143  16.79187       7.033143  47.03712 7.476163  39.72520 9.051119  7.311913       11.73950  
1 1 1 25 18 15 o 98.04666 2.815510  96.69142       3.902537  93.69900       7.805074  99.68384       7.805074  96.52065 4.043215  99.57267 3.919285  -3.052025      5.631019  
1 1 1 25 18 16 o 96.24402 3.846436  95.98145       5.041372  66.65285       10.08274  125.3100       10.08274  81.00744 6.223345  111.4806 4.522197  -30.47315      7.692873  
1 1 1 25 18 17 o 153.6889 2.751381  237.9499       5.980077  238.6504       11.96015  237.2494       11.96015  153.9167 3.885267  153.4610 3.896806  0.4557648      5.502763  
1 1 1 25 18 18 o 122.1700 3.645758  151.7081       6.294568  145.2849       12.58914  158.1314       12.58914  119.5412 5.265604  124.7988 5.043771  -5.257607      7.291517  
1 1 1 25 18 19 o 75.04996 6.363327  60.53935       6.623353  73.37150       13.24671  47.70720       13.24671  83.59903 7.922763  66.50089 9.959796  17.09814       12.72665  
1 1 1 25 18 20 o 29.91597 9.117737  3.287851       7.014082  2.344381       14.02816  4.231322       14.02816  29.42823 12.79327  30.40371 12.99480  -0.9754791     18.23547  
1 1 1 25 19 0  o 45.75972 5.714478  21.15661       5.298682  21.15661       5.298682  21.15661       5.298682  45.75972 5.714478  45.75972 5.714478  0.000000       0.000000  
1 1 1 25 19 1  o 392.2553 2.250530  1540.182       12.47954  1589.900       24.95908  1490.464       24.95908  398.5928 3.130900  385.9178 3.233730  12.67493       4.501060  
1 1 1 25 19 2  o 240.2140 1.616745  577.4611       5.489282  599.5801       10.97856  555.3419       10.97856  244.8180 2.242189  235.6099 2.329818  9.208099       3.233491  
1 1 1 25 19 3  o 143.2709 1.486030  205.5241       3.006716  192.9826       6.013433  218.0656       6.013433  138.8940 2.164755  147.6477 2.036412  -8.753693      2.972060  
1 1 1 25 19 4  o 317.4317 1.935750  1008.470       8.686600  976.4251       17.37320  1040.514       17.37320  312.3842 2.780742  322.4792 2.693693  -10.09497      3.871499  
1 1 1 25 19 5  o 245.6024 1.773864  603.5161       6.161148  599.7422       12.32230  607.2900       12.32230  244.8341 2.516458  246.3707 2.500763  -1.536591      3.547729  
1 1 1 25 19 6  o 68.47624 2.309196  47.01627       2.230021  51.05223       4.460042  42.98032       4.460042  71.42322 3.122263  65.52927 3.403091  5.893951       4.618393  
1 1 1 25 19 7  o 97.58289 1.878876  96.11963       2.558806  113.9979       5.117612  78.24133       5.117612  106.7434 2.397155  88.42232 2.893847  18.32113       3.757752  
1 1 1 25 19 8  o 309.4734 1.930295  958.7994       8.443583  995.1992       16.88717  922.3995       16.88717  315.3544 2.677490  303.5925 2.781223  11.76187       3.860590  
1 1 1 25 19 9  o 38.44392 4.558372  15.51485       2.339616  10.38770       4.679232  20.64199       4.679232  31.51322 7.518536  45.37461 5.156222  -13.86140      9.116743  
1 1 1 25 19 10 o 335.4186 2.048736  1126.442       9.715838  1097.475       19.43168  1155.408       19.43168  331.1007 2.934406  339.7366 2.859815  -8.635925      4.097473  
1 1 1 25 19 11 o 171.1693 1.635984  293.7242       3.950187  317.8256       7.900373  269.6229       7.900373  178.2095 2.216597  164.1291 2.406756  14.08043       3.271968  
1 1 1 25 19 12 o 129.0944 1.939871  166.9323       3.540397  161.9910       7.080793  171.8736       7.080793  127.1805 2.783757  131.0082 2.702424  -3.827660      3.879742  
1 1 1 25 19 13 o 70.41788 3.360404  49.99916       3.330736  55.55992       6.661473  44.43840       6.661473  74.36628 4.478826  66.46948 5.010926  7.896797       6.720808  
1 1 1 25 19 14 o 36.14137 6.527771  13.90904       3.421271  9.815904       6.842543  18.00218       6.842543  31.04478 9.839911  41.23796 8.580402  -10.19319      13.05554  
1 1 1 25 19 15 o 187.9804 2.032701  354.4590       5.403512  350.0942       10.80702  358.8237       10.80702  186.8194 2.892372  189.1413 2.856865  -2.321899      4.065402  
1 1 1 25 19 16 o 32.08130 8.309135  9.144039       4.979427  11.52177       9.958854  6.766303       9.958854  34.15512 11.87865  30.00747 11.62173  4.147644       16.61827  
1 1 1 25 19 17 o 30.41651 7.548480  2.063246       5.251032  -15.08600      10.50206  19.21249       10.50206  19.09888 9.210597  41.73415 11.96173  -22.63527      15.09696  
1 1 1 25 19 18 o 63.20708 7.171766  43.27098       6.218328  48.83174       12.43666  37.71023       12.43666  68.05341 9.137423  58.36075 11.05642  9.692654       14.34353  
1 1 1 25 19 19 o 30.19018 9.070255  3.292616       6.785362  0.6003903      13.57072  5.984842       13.57072  28.70804 12.53161  31.67232 13.11628  -2.964273      18.14051  
1 1 1 25 19 20 o 31.30347 13.31655  5.365392       14.60950  5.365392       14.60950  ?              ?         31.30347 13.31655  ?        ?         ?              ?         
1 1 1 25 20 0  o 205.3580 2.827373  422.0839       11.60754  422.0839       11.60754  422.0839       11.60754  205.3580 2.827373  205.3580 2.827373  0.000000       0.000000  
1 1 1 25 20 1  o 145.9473 1.527241  213.1957       3.149666  203.2655       6.299332  223.1260       6.299332  142.5453 2.209590  149.3493 2.108926  -6.804016      3.054482  
1 1 1 25 20 2  o 502.5812 2.857888  2529.358       20.30844  2588.664       40.61688  2470.053       40.61688  508.4812 3.993941  496.6811 4.088829  11.80011       5.715775  
1 1 1 25 20 3  o 134.5901 1.368223  181.3179       2.601691  172.0166       5.203382  190.6191       5.203382  131.1348 1.983983  138.0456 1.884661  -6.910812      2.736446  
1 1 1 25 20 4  o 177.6525 1.496673  315.7528       3.759587  322.4382       7.519173  309.0676       7.519173  179.5340 2.094080  175.7709 2.138913  3.763123       2.993346  
1 1 1 25 20 5  o 208.0004 1.641823  434.1203       4.807887  386.7752       9.615773  481.4653       9.615773  196.6194 2.445276  219.3814 2.191566  -22.76201      3.283647  
1 1 1 25 20 6  o 85.68881 2.254185  73.85276       2.711286  63.47935       5.422573  84.22617       5.422573  79.63586 3.404605  91.74177 2.955345  -12.10591      4.508370  
1 1 1 25 20 7  o 319.7732 1.988304  1023.341       8.991558  1017.833       17.98312  1028.850       17.98312  318.9119 2.819449  320.6345 2.804302  -1.722595      3.976607  
1 1 1 25 20 8  o 212.5547 1.600187  453.6425       4.784062  508.0064       9.568124  399.2786       9.568124  225.3429 2.123014  199.7664 2.394828  25.57643       3.200373  
1 1 1 25 20 9  f 220.6000 1.625124  486.9451       5.069962  485.0391       10.13992  488.8511       10.13992  220.1680 2.302769  221.0320 2.293768  -0.8640137     3.250249  
1 1 1 25 20 10 o 69.74751 2.604955  48.86510       2.558806  43.74271       5.117612  53.98747       5.117612  66.07542 3.872553  73.41959 3.485182  -7.344170      5.209910  
1 1 1 25 20 11 o 215.2070 1.727236  463.6490       5.255797  474.1939       10.51159  453.1040       10.51159  217.6569 2.414716  212.7570 2.470329  4.899902       3.454473  
1 1 1 25 20 12 o 90.49252 2.458719  83.36848       3.073426  62.88850       6.146852  103.8484       6.146852  79.17668 3.881732  101.8084 3.018835  -22.63168      4.917439  
1 1 1 25 20 13 o 48.74876 5.110080  25.76913       3.183021  37.23373       6.366043  14.30454       6.366043  60.78836 5.236235  36.70914 8.776874  24.07922       10.22016  
1 1 1 25 20 14 o 159.5168 1.987614  255.1325       4.483867  255.6900       8.967733  254.5750       8.967733  159.6915 2.807830  159.3420 2.813989  0.3494873      3.975229  
1 1 1 25 20 15 o 63.36985 4.565062  40.80748       4.088372  39.10160       8.176744  42.51335       8.176744  62.02388 6.591609  64.71581 6.317424  -2.691933      9.130124  
1 1 1 25 20 16 o 33.62251 8.009058  11.17869       4.645877  6.956903       9.291754  15.40049       9.291754  29.52577 11.27717  37.71925 11.37565  -8.193474      16.01812  
1 1 1 25 20 17 o 96.52055 4.369362  95.34292       5.932428  84.22617       11.86486  106.4597       11.86486  90.76180 6.536260  102.2793 5.800223  -11.51749      8.738724  
1 1 1 25 20 18 o 122.7981 3.904290  155.0865       6.690063  183.5669       13.38013  126.6061       13.38013  134.3945 4.977929  111.2016 6.016156  23.19289       7.808579  
1 1 1 25 20 19 o 64.99039 7.956443  48.65067       6.885427  31.80162       13.77085  65.49971       13.77085  51.63402 13.26589  78.34676 8.788402  -26.71274      15.91289  
1 1 1 25 20 20 o 46.41663 14.55244  27.22722       15.00976  27.22722       15.00976  ?              ?         46.41663 14.55244  ?        ?         ?              ?         
1 1 1 25 21 0  o 14.68067 9.076440  1.772581       5.127142  1.772581       5.127142  1.772581       5.127142  14.68067 9.076440  14.68067 9.076440  0.000000       0.000000  
1 1 1 25 21 1  o 189.3035 1.478367  359.5194       3.940656  320.9515       7.881313  398.0873       7.881313  179.1167 2.200049  199.4903 1.975362  -20.37357      2.956734  
1 1 1 25 21 2  o 72.10197 2.008569  52.16724       2.039421  57.69464       4.078841  46.63984       4.078841  75.93502 2.685745  68.26893 2.987334  7.666092       4.017137  
1 1 1 25 21 3  o 91.61580 1.969152  84.24047       2.539746  93.47981       5.079492  75.00113       5.079492  96.65823 2.627553  86.57336 2.933635  10.08488       3.938305  
1 1 1 25 21 4  o 250.8447 1.663977  629.7808       5.899073  656.0359       11.79815  603.5256       11.79815  256.0781 2.303623  245.6114 2.401791  10.46669       3.327954  
1 1 1 25 21 5  o 154.5380 1.701218  238.9887       3.716702  231.6744       7.433403  246.3029       7.433403  152.1715 2.442442  156.9045 2.368766  -4.733002      3.402437  
1 1 1 25 21 6  o 122.8735 1.867886  151.1030       3.244966  147.1147       6.489933  155.0913       6.489933  121.2506 2.676247  124.4965 2.606472  -3.245857      3.735773  
1 1 1 25 21 7  o 160.0310 1.654834  257.1005       3.726231  227.3192       7.452463  286.8817       7.452463  150.7261 2.472187  169.3358 2.200498  -18.60971      3.309668  
1 1 1 25 21 8  o 82.40707 2.204634  68.24435       2.554041  76.80230       5.108082  59.68641       5.108082  87.59956 2.915587  77.21459 3.307718  10.38496       4.409268  
1 1 1 25 21 9  o 108.6020 1.895525  118.6914       2.887591  101.2944       5.775182  136.0885       5.775182  100.5925 2.870584  116.6115 2.476249  -16.01907      3.791050  
1 1 1 25 21 10 o 137.5124 1.785381  189.3898       3.468921  198.6815       6.937842  180.0980       6.937842  140.8909 2.462133  134.1339 2.586163  6.757034       3.570761  
1 1 1 25 21 11 o 102.2370 2.223475  106.4406       3.135371  133.4010       6.270743  79.48023       6.270743  115.4222 2.716437  89.05174 3.520842  26.37048       4.446949  
1 1 1 25 21 12 o 145.7832 1.872131  212.8479       3.859652  211.1372       7.719304  214.5585       7.719304  145.1965 2.658226  146.3699 2.636916  -1.173416      3.744261  
1 1 1 25 21 13 o 231.0891 1.899513  535.4052       6.204032  513.9626       12.40806  556.8477       12.40806  226.4497 2.739696  235.7285 2.631855  -9.278870      3.799025  
1 1 1 25 21 14 o 118.9249 2.465890  142.8262       4.112197  121.5552       8.224394  164.0971       8.224394  109.9818 3.738979  127.8679 3.215973  -17.88607      4.931779  
1 1 1 25 21 15 o 83.61147 3.747532  70.96041       4.402863  61.81160       8.805723  80.10921       8.805723  78.14045 5.634549  89.08250 4.942454  -10.94205      7.495065  
1 1 1 25 21 16 o 34.56186 7.975196  12.11740       4.617287  7.738363       9.234573  16.49644       9.234573  30.20453 11.32019  38.91917 11.23692  -8.714640      15.95039  
1 1 1 25 21 17 o 159.6878 3.033478  258.0058       6.833013  279.1052       13.66603  236.9064       13.66603  166.2942 4.108990  153.0813 4.463650  13.21292       6.066957  
1 1 1 25 21 18 o 66.11934 7.543850  49.09381       6.580468  32.15423       13.16094  66.03339       13.16094  52.87996 12.60478  79.35872 8.292055  -26.47876      15.08770  
1 1 1 25 21 19 f 29.68867 8.917396  -2.201431      7.323808  -18.11654      14.64762  13.71367       14.64762  22.56844 10.88230  36.80891 14.12995  -14.24048      17.83479  
1 1 1 25 21 20 o 45.22678 15.02192  26.94132       15.87699  26.94132       15.87699  ?              ?         45.22678 15.02192  ?        ?         ?              ?         
1 1 1 25 22 0  o 30.44012 10.81762  12.24605       5.984842  12.24605       5.984842  12.24605       5.984842  30.44012 10.81762  30.44012 10.81762  0.000000       0.000000  
1 1 1 25 22 1  o 233.7983 1.572550  546.8936       5.198617  535.3194       10.39723  558.4678       10.39723  231.3231 2.247340  236.2736 2.200253  -4.950485      3.145100  
1 1 1 25 22 2  o 147.5659 1.428136  217.9369       2.978126  208.1734       5.956253  227.7004       5.956253  144.2577 2.064449  150.8741 1.973915  -6.616364      2.856272  
1 1 1 25 22 3  o 48.55748 3.424256  23.70112       2.339616  26.43623       4.679232  20.96601       4.679232  51.37384 4.554100  45.74112 5.114908  5.632729       6.848511  
1 1 1 25 22 4  o 287.8458 1.888570  829.5202       7.681183  869.5366       15.36237  789.5037       15.36237  294.7968 2.605585  280.8948 2.734541  13.90204       3.777140  
1 1 1 25 22 5  o 190.8116 1.627067  364.3797       4.388567  351.5428       8.777133  377.2166       8.777133  187.4478 2.341220  194.1754 2.260105  -6.727524      3.254134  
1 1 1 25 22 6  o 27.76555 5.542030  7.957553       2.272906  8.453114       4.545812  7.461993       4.545812  28.52511 7.762393  27.00598 7.912120  1.519133       11.08406  
1 1 1 25 22 7  o 144.9951 1.590025  210.3844       3.259262  216.8266       6.518523  203.9421       6.518523  147.2166 2.213922  142.7735 2.282819  4.443100       3.180049  
1 1 1 25 22 8  o 136.0347 1.617447  185.1775       3.111546  183.1953       6.223093  187.1597       6.223093  135.3062 2.299634  136.7633 2.275132  -1.457138      3.234895  
1 1 1 25 22 9  o 176.1520 1.708784  311.5358       4.236087  346.9684       8.472174  276.1033       8.472174  186.2094 2.274905  166.0946 2.550406  20.11476       3.417567  
1 1 1 25 22 10 o 86.71400 2.646852  76.93095       3.144901  98.72131       6.289802  55.14060       6.289802  99.27849 3.167757  74.14951 4.241298  25.12898       5.293703  
1 1 1 25 22 11 f 23.67253 5.490455  0.1905998      2.997186  12.09357       5.994372  -11.71237      5.994372  33.87403 8.778276  13.47104 6.597140  20.40300       10.98091  
1 1 1 25 22 12 o 56.84673 4.008543  32.58308       3.221142  31.45854       6.442283  33.70762       6.442283  55.85762 5.766700  57.83583 5.569457  -1.978203      8.017086  
1 1 1 25 22 13 o 69.07494 3.864978  48.63161       3.716702  38.87289       7.433403  58.39034       7.433403  62.01107 5.993610  76.13880 4.881482  -14.12774      7.729956  
1 1 1 25 22 14 f 60.42830 4.633199  37.14795       3.950187  40.03555       7.900373  34.26036       7.900373  62.81757 6.288347  58.03902 6.806088  4.778545       9.266398  
1 1 1 25 22 15 o 123.1575 2.616029  152.7326       4.550577  143.9030       9.101154  161.5622       9.101154  119.5728 3.805695  126.7421 3.590421  -7.169312      5.232059  
1 1 1 25 22 16 o 59.25729 6.408990  38.34397       4.950837  52.77716       9.901674  23.91078       9.901674  71.80613 6.894728  46.70845 10.80571  25.09768       12.81798  
1 1 1 25 22 17 o 115.7247 3.827343  136.3791       6.261212  140.8344       12.52242  131.9238       12.52242  117.6497 5.321911  113.7998 5.501954  3.849892       7.654687  
1 1 1 25 22 18 f 61.39649 8.137232  42.39423       6.880662  48.63161       13.76132  36.15683       13.76132  66.98684 10.27166  55.80615 12.62344  11.18069       16.27446  
1 1 1 25 22 19 o 22.76971 10.99852  -18.69787      15.13365  -18.69787      15.13365  ?              ?         22.76971 10.99852  ?        ?         ?              ?         
1 1 1 25 23 0  o 220.6634 3.175788  487.4216       14.00911  487.4216       14.00911  487.4216       14.00911  220.6634 3.175788  220.6634 3.175788  0.000000       0.000000  
1 1 1 25 23 1  o 329.6288 1.942325  1087.283       9.053504  1105.433       18.10701  1069.133       18.10701  332.3819 2.723826  326.8757 2.769708  5.506165       3.884651  
1 1 1 25 23 2  o 338.1021 2.071836  1143.929       9.906439  1146.507       19.81288  1141.351       19.81288  338.4834 2.926714  337.7209 2.933321  0.7624512      4.143673  
1 1 1 25 23 3  o 228.3802 1.594061  521.9536       5.146202  504.0705       10.29240  539.8366       10.29240  224.4650 2.292653  232.2954 2.215370  -7.830383      3.188122  
1 1 1 25 23 4  o 116.2124 1.684616  135.1307       2.768466  133.3248       5.536932  136.9366       5.536932  115.4354 2.398282  116.9894 2.366425  -1.554008      3.369232  
1 1 1 25 23 5  o 118.1362 1.843308  139.8433       3.073426  129.6271       6.146852  150.0594       6.146852  113.8123 2.700435  122.4601 2.509737  -8.647789      3.686615  
1 1 1 25 23 6  o 53.78543 3.309065  29.10463       2.501626  32.80228       5.003252  25.40699       5.003252  57.22283 4.371727  50.34803 4.968667  6.874798       6.618131  
1 1 1 25 23 7  f 142.3838 1.766666  203.1559       3.549927  218.3133       7.099854  187.9984       7.099854  147.7065 2.403365  137.0610 2.590034  10.64551       3.533332  
1 1 1 25 23 8  o 137.3376 1.756283  189.6185       3.387916  215.0636       6.775833  164.1734       6.775833  146.6013 2.310973  128.0739 2.645283  18.52740       3.512566  
1 1 1 25 23 9  o 72.79118 2.879295  53.17743       2.959066  56.71305       5.918132  49.64180       5.918132  75.21980 3.933893  70.36258 4.205455  4.857216       5.758590  
1 1 1 25 23 10 o 55.52747 4.474075  33.73621       3.025776  50.88070       6.051552  16.59174       6.051552  71.21523 4.248776  39.83970 7.875106  31.37553       8.948151  
1 1 1 25 23 11 o 148.6511 1.890382  221.3057       3.974012  220.2670       7.948023  222.3445       7.948023  148.3017 2.679681  149.0005 2.667113  -0.6987762     3.780765  
1 1 1 25 23 12 o 107.0833 2.415702  115.1415       3.654756  120.9739       7.309513  109.3091       7.309513  109.8065 3.328360  104.3600 3.502068  5.446571       4.831403  
1 1 1 25 23 13 o 152.3050 2.130988  232.7418       4.588697  239.0602       9.177394  226.4234       9.177394  154.3793 2.972353  150.2308 3.054433  4.148514       4.261976  
1 1 1 25 23 14 o 96.93886 3.038597  94.64246       4.164612  97.10121       8.329224  92.18372       8.329224  98.20705 4.240644  95.67067 4.353071  2.536385       6.077194  
1 1 1 25 23 15 o 30.23115 7.600878  6.637647       4.579167  15.12411       9.158334  -1.848821      9.158334  37.40391 11.29632  23.05840 10.17283  14.34551       15.20176  
1 1 1 25 23 16 o 20.82539 6.847599  -10.30193      5.074727  -18.18325      10.14945  -2.420621      10.14945  17.68453 8.642726  23.96626 10.62364  -6.281736      13.69520  
1 1 1 25 23 17 o 36.61889 9.211337  13.80421       6.018198  13.23717       12.03640  14.37125       12.03640  36.16125 13.01044  37.07652 13.04313  -0.9152603     18.42267  
1 1 1 25 23 18 o 83.94914 5.860546  74.88200       6.856837  60.98249       13.71367  88.78152       13.71367  75.67061 9.061427  92.22768 7.434686  -16.55707      11.72109  
1 1 1 25 23 19 o 44.03199 15.07144  24.33963       15.98182  24.33963       15.98182  ?              ?         44.03199 15.07144  ?        ?         ?              ?         
1 1 1 25 24 0  o 327.3942 4.111596  1073.164       26.91273  1073.164       26.91273  1073.164       26.91273  327.3942 4.111596  327.3942 4.111596  0.000000       0.000000  
1 1 1 25 24 1  o 466.4697 2.624801  2178.935       17.31125  2234.538       34.62250  2123.333       34.62250  472.4297 3.664303  460.5097 3.759150  11.91992       5.249602  
1 1 1 25 24 2  o 51.96090 3.263175  27.06044       2.396796  28.00868       4.793592  26.11221       4.793592  52.87335 4.533089  51.04845 4.695140  1.824902       6.526349  
1 1 1 25 24 3  f 224.5010 1.754695  505.5048       5.551227  554.5986       11.10245  456.4109       11.10245  235.4350 2.357860  213.5670 2.599291  21.86795       3.509390  
1 1 1 25 24 4  o 133.9963 1.612550  179.6978       3.054366  173.4079       6.108732  185.9875       6.108732  131.6493 2.320077  136.3433 2.240202  -4.694016      3.225099  
1 1 1 25 24 5  o 153.1612 1.631494  235.2529       3.521337  212.4333       7.042673  258.0725       7.042673  145.7117 2.416647  160.6107 2.192466  -14.89906      3.262988  
1 1 1 25 24 6  o 118.3055 1.812491  140.1196       3.030541  134.3635       6.061082  145.8758       6.061082  115.8727 2.615405  120.7382 2.510010  -4.865479      3.624982  
1 1 1 25 24 7  o 109.9808 2.141804  121.1121       3.330736  118.5818       6.661473  123.6423       6.661473  108.8305 3.060482  111.1311 2.997125  -2.300598      4.283609  
1 1 1 25 24 8  o 385.0812 2.352269  1485.261       12.80832  1456.347       25.61665  1514.175       25.61665  381.3269 3.358883  388.8354 3.294022  -7.508545      4.704538  
1 1 1 25 24 9  o 29.22005 5.395527  7.299983       2.897121  17.36367       5.794242  -2.763701      5.794242  40.87067 7.356643  17.56944 7.894724  23.30124       10.79105  
1 1 1 25 24 10 o 53.03613 4.226041  29.35718       2.997186  40.18803       5.994372  18.52633       5.994372  63.24695 4.738863  42.82530 6.998634  20.42165       8.452083  
1 1 1 25 24 11 o 117.3685 2.222422  138.0993       3.688112  141.3204       7.376224  134.8781       7.376224  118.7407 3.106021  115.9963 3.179509  2.744461       4.444845  
1 1 1 25 24 12 o 208.2344 1.930790  435.3687       5.670352  398.2684       11.34070  472.4690       11.34070  199.3261 2.844761  217.1427 2.611348  -17.81660      3.861581  
1 1 1 25 24 13 o 254.4478 2.051208  649.3792       7.380988  644.6380       14.76198  654.1204       14.76198  253.5161 2.911447  255.3794 2.890205  -1.863312      4.102415  
1 1 1 25 24 14 o 114.8834 2.909124  133.6488       4.683997  154.1097       9.367994  113.1878       9.367994  123.7885 3.783870  105.9784 4.419767  17.81015       5.818249  
1 1 1 25 24 15 o 72.83959 4.562422  54.13995       4.698292  52.59609       9.396584  55.68381       9.396584  71.77982 6.545422  73.89936 6.357690  -2.119537      9.124844  
1 1 1 25 24 16 o 57.01958 6.304406  34.48908       4.922247  39.31126       9.844495  29.66690       9.844495  61.64132 7.985304  52.39785 9.757923  9.243477       12.60881  
1 1 1 25 24 17 o 71.35931 6.018193  53.48238       6.056317  49.06999       12.11263  57.89477       12.11263  68.26765 8.871431  74.45099 8.134637  -6.183342      12.03639  
1 1 1 25 24 18 o 79.49656 6.166543  68.15858       6.799657  82.51077       13.59931  53.80640       13.59931  88.52348 7.681190  70.46964 9.649060  18.05385       12.33309  
1 1 1 25 24 19 f 28.04287 12.88238  -5.470222      16.61080  -5.470222      16.61080  ?              ?         28.04287 12.88238  ?        ?         ?              ?         
1 1 1 25 25 0  o 288.9925 5.240540  836.5629       30.26729  836.5629       30.26729  836.5629       30.26729  288.9925 5.240540  288.9925 5.240540  0.000000       0.000000  
1 1 1 25 25 1  o 128.7353 3.764014  166.2700       9.672954  166.2700       9.672954  166.2700       9.672954  128.7353 3.764014  128.7353 3.764014  0.000000       0.000000  
1 1 1 25 25 2  o 151.1080 3.121656  228.7392       9.425174  228.7392       9.425174  228.7392       9.425174  151.1080 3.121656  151.1080 3.121656  0.000000       0.000000  
1 1 1 25 25 3  o 470.7763 5.416656  2220.262       50.98552  2220.262       50.98552  2220.262       50.98552  470.7763 5.416656  470.7763 5.416656  0.000000       0.000000  
1 1 1 25 25 4  o 13.43225 9.035671  -2.277671      6.680532  -2.277671      6.680532  -2.277671      6.680532  13.43225 9.035671  13.43225 9.035671  0.000000       0.000000  
1 1 1 25 25 5  o 168.4339 3.519878  284.2610       11.84580  284.2610       11.84580  284.2610       11.84580  168.4339 3.519878  168.4339 3.519878  0.000000       0.000000  
1 1 1 25 25 6  o 204.3735 3.908479  418.5482       15.96276  418.5482       15.96276  418.5482       15.96276  204.3735 3.908479  204.3735 3.908479  0.000000       0.000000  
1 1 1 25 25 7  o 234.1254 3.781637  549.0807       17.69722  549.0807       17.69722  549.0807       17.69722  234.1254 3.781637  234.1254 3.781637  0.000000       0.000000  
1 1 1 25 25 8  o 60.16592 7.357080  37.94848       8.634183  37.94848       8.634183  37.94848       8.634183  60.16592 7.357080  60.16592 7.357080  0.000000       0.000000  
1 1 1 25 25 9  o 158.3800 3.545058  251.5159       11.21681  251.5159       11.21681  251.5159       11.21681  158.3800 3.545058  158.3800 3.545058  0.000000       0.000000  
1 1 1 25 25 10 o 81.16398 5.801210  67.11028       9.320344  67.11028       9.320344  67.11028       9.320344  81.16398 5.801210  81.16398 5.801210  0.000000       0.000000  
1 1 1 25 25 11 o 46.82600 10.89532  25.46417       8.862904  25.46417       8.862904  25.46417       8.862904  46.82600 10.89532  46.82600 10.89532  0.000000       0.000000  
1 1 1 25 25 12 o 262.9497 4.026863  693.8033       21.16614  693.8033       21.16614  693.8033       21.16614  262.9497 4.026863  262.9497 4.026863  0.000000       0.000000  
1 1 1 25 25 13 o 20.13720 12.97641  1.343731       11.67426  1.343731       11.67426  1.343731       11.67426  20.13720 12.97641  20.13720 12.97641  0.000000       0.000000  
1 1 1 25 25 14 o 28.48313 15.71369  12.33182       12.80832  12.33182       12.80832  12.33182       12.80832  28.48313 15.71369  28.48313 15.71369  0.000000       0.000000  
1 1 1 25 25 15 o 53.75664 14.93703  36.03295       13.87568  36.03295       13.87568  36.03295       13.87568  53.75664 14.93703  53.75664 14.93703  0.000000       0.000000  
1 1 1 25 25 16 o 22.06821 14.23880  2.220491       14.12347  2.220491       14.12347  2.220491       14.12347  22.06821 14.23880  22.06821 14.23880  0.000000       0.000000  
1 1 1 25 25 17 o 108.2319 8.544224  122.6130       18.26902  122.6130       18.26902  122.6130       18.26902  108.2319 8.544224  108.2319 8.544224  0.000000       0.000000  
1 1 1 25 25 18 o 45.28488 20.64830  34.58438       20.16549  34.58438       20.16549  34.58438       20.16549  45.28488 20.64830  45.28488 20.64830  0.000000       0.000000  
1 1 1 26 0  0  o 315.4550 5.727566  996.3810       36.10918  996.3810       36.10918  996.3810       36.10918  315.4550 5.727566  315.4550 5.727566  0.000000       0.000000  
1 1 1 26 0  1  o 82.05413 2.478828  67.52008       4.059782  67.52008       4.059782  67.52008       4.059782  82.05413 2.478828  82.05413 2.478828  0.000000       0.000000  
1 1 1 26 0  2  o 103.9627 2.487351  108.2799       5.165262  108.2799       5.165262  108.2799       5.165262  103.9627 2.487351  103.9627 2.487351  0.000000       0.000000  
1 1 1 26 0  3  o 36.39013 3.585985  13.62791       2.563571  13.62791       2.563571  13.62791       2.563571  36.39013 3.585985  36.39013 3.585985  0.000000       0.000000  
1 1 1 26 0  4  f 103.5025 3.470580  107.5175       7.166563  107.5175       7.166563  107.5175       7.166563  103.5025 3.470580  103.5025 3.470580  0.000000       0.000000  
1 1 1 26 0  5  o 77.78904 3.327053  60.85860       5.155732  60.85860       5.155732  60.85860       5.155732  77.78904 3.327053  77.78904 3.327053  0.000000       0.000000  
1 1 1 26 0  6  o 177.1454 3.044267  314.1566       10.77843  314.1566       10.77843  314.1566       10.77843  177.1454 3.044267  177.1454 3.044267  0.000000       0.000000  
1 1 1 26 0  7  o 254.5115 3.716248  648.4310       18.90753  648.4310       18.90753  648.4310       18.90753  254.5115 3.716248  254.5115 3.716248  0.000000       0.000000  
1 1 1 26 0  8  o 466.9688 6.093160  2184.344       56.88460  2184.344       56.88460  2184.344       56.88460  466.9688 6.093160  466.9688 6.093160  0.000000       0.000000  
1 1 1 26 0  9  o 38.50876 10.71143  17.92594       7.128443  17.92594       7.128443  17.92594       7.128443  38.50876 10.71143  38.50876 10.71143  0.000000       0.000000  
1 1 1 26 0  10 o 26.32908 4.528179  7.452463       2.191901  7.452463       2.191901  7.452463       2.191901  26.32908 4.528179  26.32908 4.528179  0.000000       0.000000  
1 1 1 26 0  11 o 25.79775 8.821718  8.653244       4.078841  8.653244       4.078841  8.653244       4.078841  25.79775 8.821718  25.79775 8.821718  0.000000       0.000000  
1 1 1 26 0  12 o 95.83273 2.944695  92.13607       5.632232  92.13607       5.632232  92.13607       5.632232  95.83273 2.944695  95.83273 2.944695  0.000000       0.000000  
1 1 1 26 0  13 o 322.1073 4.325804  1039.323       27.85620  1039.323       27.85620  1039.323       27.85620  322.1073 4.325804  322.1073 4.325804  0.000000       0.000000  
1 1 1 26 0  14 o 120.0522 3.619136  144.6655       8.672303  144.6655       8.672303  144.6655       8.672303  120.0522 3.619136  120.0522 3.619136  0.000000       0.000000  
1 1 1 26 0  15 o 68.44560 6.878886  48.47913       9.244103  48.47913       9.244103  48.47913       9.244103  68.44560 6.878886  68.44560 6.878886  0.000000       0.000000  
1 1 1 26 0  16 o 66.94439 8.271997  47.27835       10.79749  47.27835       10.79749  47.27835       10.79749  66.94439 8.271997  66.94439 8.271997  0.000000       0.000000  
1 1 1 26 0  17 o 89.96564 6.596075  82.84432       11.74096  82.84432       11.74096  82.84432       11.74096  89.96564 6.596075  89.96564 6.596075  0.000000       0.000000  
1 1 1 26 0  18 o 172.2104 4.936924  298.8609       16.97294  298.8609       16.97294  298.8609       16.97294  172.2104 4.936924  172.2104 4.936924  0.000000       0.000000  
1 1 1 26 0  19 o 19.31203 12.98400  -3.516572      13.76132  -3.516572      13.76132  -3.516572      13.76132  19.31203 12.98400  19.31203 12.98400  0.000000       0.000000  
1 1 1 26 0  20 o 54.80012 17.51046  40.28333       16.85858  40.28333       16.85858  40.28333       16.85858  54.80012 17.51046  54.80012 17.51046  0.000000       0.000000  
1 1 1 26 0  21 o 25.34687 16.41624  4.164612       19.04095  4.164612       19.04095  4.164612       19.04095  25.34687 16.41624  25.34687 16.41624  0.000000       0.000000  
1 1 1 26 1  0  o 740.6225 7.833163  5492.818       115.9992  5492.818       115.9992  5492.818       115.9992  740.6225 7.833163  740.6225 7.833163  0.000000       0.000000  
1 1 1 26 1  1  o 361.4793 2.066032  1308.050       10.54971  1236.032       21.09943  1380.068       21.09943  351.5177 3.001190  371.4409 2.840213  -19.92325      4.132064  
1 1 1 26 1  2  o 585.2815 3.147301  3428.014       26.05027  3448.708       52.10053  3407.320       52.10053  587.0493 4.437492  583.5136 4.464380  3.535706       6.294603  
1 1 1 26 1  3  f 101.2390 1.013352  103.2862       1.434266  121.2216       2.868531  85.35071       2.868531  110.0970 1.302729  92.38105 1.552554  17.71595       2.026704  
1 1 1 26 1  4  o 570.9041 3.431314  3262.778       27.70372  3267.972       55.40745  3257.584       55.40745  571.3589 4.848742  570.4492 4.856475  0.9097290      6.862628  
1 1 1 26 1  5  o 159.7453 1.435040  255.8282       3.230671  231.2265       6.461343  280.4299       6.461343  152.0450 2.124812  167.4456 1.929386  -15.40059      2.870080  
1 1 1 26 1  6  o 290.0463 1.966477  842.1998       8.057619  887.1290       16.11524  797.2706       16.11524  297.7915 2.705792  282.3011 2.854263  15.49036       3.932954  
1 1 1 26 1  7  f 56.61336 2.907062  32.49731       2.282436  25.18780       4.564872  39.80683       4.564872  50.15771 4.550519  63.06900 3.618951  -12.91129      5.814123  
1 1 1 26 1  8  o 202.0751 1.681693  408.6513       4.803122  392.6266       9.606244  424.6761       9.606244  198.1100 2.424472  206.0401 2.331159  -7.930069      3.363386  
1 1 1 26 1  9  o 245.4128 1.898774  602.5965       6.589998  602.3344       13.18000  602.8585       13.18000  245.3594 2.685855  245.4661 2.684687  -0.1067810     3.797547  
1 1 1 26 1  10 o 71.18034 2.421521  51.88610       2.353911  36.45226       4.707822  67.31995       4.707822  60.33898 3.901145  82.02171 2.869864  -21.68274      4.843041  
1 1 1 26 1  11 o 68.63967 2.157727  47.91209       2.044186  35.92811       4.088372  59.89607       4.088372  59.91005 3.412092  77.36930 2.642115  -17.45926      4.315454  
1 1 1 26 1  12 o 168.4596 1.488065  284.1561       3.540397  267.2118       7.080793  301.1005       7.080793  163.4304 2.166303  173.4888 2.040706  -10.05841      2.976130  
1 1 1 26 1  13 o 234.1272 1.681670  548.7185       5.565523  568.0073       11.13105  529.4298       11.13105  238.2465 2.336035  230.0079 2.419709  8.238571       3.363340  
1 1 1 26 1  14 f 38.90720 4.575625  15.72927       2.406326  19.58416       4.812652  11.87438       4.812652  44.15105 5.450212  33.66334 7.351229  10.48771       9.151251  
1 1 1 26 1  15 o 173.6879 1.703230  302.0439       4.183672  302.4251       8.367344  301.6627       8.367344  173.7977 2.407209  173.5782 2.410252  0.2194672      3.406460  
1 1 1 26 1  16 o 91.09865 3.023997  83.68774       3.878712  92.69835       7.757423  74.67711       7.757423  96.04417 4.038466  86.15311 4.502114  9.891060       6.047995  
1 1 1 26 1  17 o 86.24605 3.520526  75.47286       4.255147  87.04706       8.510294  63.89867       8.510294  92.95602 4.577591  79.53606 5.349959  13.41996       7.041052  
1 1 1 26 1  18 o 125.5527 2.620388  159.1558       4.626817  178.3826       9.253633  139.9291       9.253633  133.2096 3.473337  117.8959 3.924495  15.31371       5.240776  
1 1 1 26 1  19 o 28.23955 8.076895  2.492096       5.336802  -5.108082      10.67360  10.09227       10.67360  23.25834 10.56245  33.22075 12.22209  -9.962412      16.15379  
1 1 1 26 1  20 o 44.94169 8.295418  21.94283       6.223093  39.18738       12.44619  4.698292       12.44619  59.58394 10.84537  30.29944 12.55523  29.28450       16.59084  
1 1 1 26 1  21 o 92.60965 5.098207  90.13477       6.604293  104.7919       13.20859  75.47763       13.20859  100.5230 6.569929  84.69625 7.797621  15.82680       10.19641  
1 1 1 26 1  22 o 34.78421 14.33382  10.36865       16.09618  10.36865       16.09618  ?              ?         34.78421 14.33382  ?        ?         ?              ?         
1 1 1 26 2  0  o 540.1191 5.898292  2920.079       63.69855  2920.079       63.69855  2920.079       63.69855  540.1191 5.898292  540.1191 5.898292  0.000000       0.000000  
1 1 1 26 2  1  o 243.8737 1.464505  594.8343       5.050902  596.8165       10.10180  592.8520       10.10180  244.2801 2.067668  243.4673 2.074571  0.8128204      2.929010  
1 1 1 26 2  2  o 481.2043 2.670781  2318.531       18.15466  2446.133       36.30931  2190.929       36.30931  494.4629 3.671592  467.9456 3.879651  26.51721       5.341561  
1 1 1 26 2  3  o 105.2170 1.181109  111.2866       1.743991  95.42393       3.487981  127.1493       3.487981  97.67892 1.785432  112.7551 1.546707  -15.07617      2.362217  
1 1 1 26 2  4  o 289.0430 1.942848  837.3109       7.919433  764.9448       15.83887  909.6770       15.83887  276.5248 2.863914  301.5612 2.626144  -25.03644      3.885697  
1 1 1 26 2  5  o 131.5516 1.426580  174.1275       2.630281  200.9115       5.260562  147.3434       5.260562  141.7316 1.855818  121.3715 2.167132  20.36013       2.853160  
1 1 1 26 2  6  o 150.9591 1.537235  228.3246       3.273556  209.6410       6.547113  247.0082       6.547113  144.7709 2.261198  157.1474 2.083112  -12.37657      3.074471  
1 1 1 26 2  7  o 121.6383 1.589399  148.4822       2.720816  131.6094       5.441632  165.3551       5.441632  114.7026 2.372062  128.5739 2.116149  -13.87135      3.178799  
1 1 1 26 2  8  o 126.9037 1.704582  161.1095       3.059131  159.9230       6.118262  162.2960       6.118262  126.4362 2.419506  127.3711 2.401746  -0.9349518     3.409163  
1 1 1 26 2  9  o 277.5839 2.140321  771.1393       8.400699  787.4166       16.80140  754.8621       16.80140  280.5158 2.994732  274.6519 3.058671  5.863922       4.280642  
1 1 1 26 2  10 o 110.4191 1.272452  121.9555       1.987006  122.2795       3.974012  121.6314       3.974012  110.5658 1.797125  110.2723 1.801908  0.2934418      2.544903  
1 1 1 26 2  11 o 277.1455 1.856023  769.4477       7.261863  717.0470       14.52373  821.8484       14.52373  267.6918 2.712770  286.5991 2.533805  -18.90729      3.712046  
1 1 1 26 2  12 o 165.4870 1.427314  274.2306       3.335501  291.3608       6.671002  257.1005       6.671002  170.6627 1.954441  160.3113 2.080640  10.35136       2.854628  
1 1 1 26 2  13 o 90.03676 1.963599  81.83891       2.468271  96.85343       4.936542  66.82439       4.936542  98.37475 2.509049  81.69877 3.021185  16.67598       3.927198  
1 1 1 26 2  14 o 135.1608 1.682228  182.9951       3.211612  193.3924       6.423223  172.5979       6.423223  139.0071 2.310395  131.3146 2.445739  7.692505       3.364456  
1 1 1 26 2  15 o 151.1567 1.718663  229.1680       3.664287  210.0222       7.328573  248.3138       7.328573  144.8237 2.530171  157.4898 2.326681  -12.66618      3.437326  
1 1 1 26 2  16 o 145.3561 2.176612  211.8901       4.474337  211.4612       8.948673  212.3190       8.948673  145.2086 3.081316  145.5036 3.075069  -0.2950287     4.353224  
1 1 1 26 2  17 o 63.47052 4.700142  41.01237       4.202732  36.93829       8.405463  45.08645       8.405463  60.26109 6.974204  66.67994 6.302843  -6.418846      9.400285  
1 1 1 26 2  18 o 62.22292 5.364393  42.21791       4.193202  60.86814       8.386403  23.56770       8.386403  77.51859 5.409286  46.92726 9.265338  30.59132       10.72879  
1 1 1 26 2  19 o 67.38937 5.688282  47.26405       5.351098  55.71240       10.70220  38.81571       10.70220  73.65768 7.264820  61.12106 8.754917  12.53662       11.37656  
1 1 1 26 2  20 o 37.40327 8.730601  15.11458       5.408277  17.63051       10.81655  12.59866       10.81655  39.74342 12.33233  35.06311 12.36153  4.680309       17.46120  
1 1 1 26 2  21 o 52.95979 9.472420  33.58373       7.147503  28.69484       14.29501  38.47263       14.29501  48.70856 13.95394  57.21101 12.81384  -8.502449      18.94484  
1 1 1 26 2  22 o 37.62617 14.27289  15.83887       14.80010  15.83887       14.80010  ?              ?         37.62617 14.27289  ?        ?         ?              ?         
1 1 1 26 3  0  o 207.6844 2.712956  431.6043       11.26446  431.6043       11.26446  431.6043       11.26446  207.6844 2.712956  207.6844 2.712956  0.000000       0.000000  
1 1 1 26 3  1  o 260.1479 1.583187  678.1360       5.808537  736.2404       11.61707  620.0316       11.61707  271.3155 2.140879  248.9804 2.332930  22.33513       3.166374  
1 1 1 26 3  2  o 647.0177 3.463409  4190.367       31.68726  4116.866       63.37452  4263.867       63.37452  641.3378 4.940807  652.6976 4.854815  -11.35980      6.926818  
1 1 1 26 3  3  o 266.2034 1.566170  708.9323       5.894307  729.3217       11.78861  688.5428       11.78861  270.0331 2.182810  262.3737 2.246531  7.659332       3.132341  
1 1 1 26 3  4  o 166.8866 1.455282  280.8445       3.392681  230.4450       6.785362  331.2439       6.785362  151.7867 2.235163  181.9865 1.864249  -30.19980      2.910563  
1 1 1 26 3  5  o 92.68970 1.523846  85.96064       1.996536  82.87290       3.993072  89.04836       3.993072  91.02409 2.193415  94.35532 2.115976  -3.331238      3.047692  
1 1 1 26 3  6  o 346.1345 2.323922  1198.884       11.37406  1174.783       22.74812  1222.985       22.74812  342.6530 3.319411  349.6160 3.253301  -6.963043      4.647844  
1 1 1 26 3  7  o 89.35786 2.027344  79.95197       2.558806  84.54066       5.117612  75.36327       5.117612  91.92546 2.783566  86.79027 2.948264  5.135193       4.054689  
1 1 1 26 3  8  o 163.5804 1.687765  270.1804       3.850122  218.5039       7.700243  321.8568       7.700243  147.7849 2.605220  179.3758 2.146400  -31.59087      3.375530  
1 1 1 26 3  9  o 360.7091 2.438846  1303.238       12.42712  1232.172       24.85425  1374.303       24.85425  350.8583 3.541921  370.5599 3.353608  -19.70154      4.877693  
1 1 1 26 3  10 o 140.9096 1.448509  199.0103       2.878061  181.4322       5.756122  216.5884       5.756122  134.6722 2.137086  147.1470 1.955909  -12.47475      2.897018  
1 1 1 26 3  11 o 117.6816 1.770779  140.7439       2.878061  105.9832       5.756122  175.5045       5.756122  102.9127 2.796606  132.4506 2.172932  -29.53792      3.541559  
1 1 1 26 3  12 o 178.8315 1.400008  319.9413       3.540397  324.8016       7.080793  315.0810       7.080793  180.1904 1.964809  177.4726 1.994898  2.717804       2.800016  
1 1 1 26 3  13 o 174.5139 1.529202  304.9983       3.769116  286.9770       7.538233  323.0195       7.538233  169.3506 2.225629  179.6771 2.097716  -10.32652      3.058405  
1 1 1 26 3  14 o 129.7510 1.770048  168.6239       3.244966  160.2756       6.489933  176.9722       6.489933  126.5340 2.564502  132.9680 2.440410  -6.434074      3.540095  
1 1 1 26 3  15 o 167.6697 1.920126  281.6688       4.550577  292.2948       9.101154  271.0428       9.101154  170.8384 2.663674  164.5010 2.766292  6.337418       3.840251  
1 1 1 26 3  16 o 150.3810 2.103184  227.1810       4.460042  207.4015       8.920084  246.9605       8.920084  143.8046 3.101461  156.9575 2.841561  -13.15294      4.206367  
1 1 1 26 3  17 o 120.8489 2.498699  146.7144       4.269442  143.0835       8.538883  150.3453       8.538883  119.3467 3.577345  122.3512 3.489497  -3.004524      4.997398  
1 1 1 26 3  18 f 44.00477 7.459143  21.15661       4.617287  25.21639       9.234573  17.09683       9.234573  48.36384 9.888508  39.64570 11.17017  8.718140       14.91829  
1 1 1 26 3  19 o 23.32764 7.614766  -9.258398      5.989607  -3.202081      11.97921  -15.31472      11.97921  25.73283 11.46222  20.92245 10.02777  4.810387       15.22953  
1 1 1 26 3  20 o 41.12133 8.843104  18.66928       5.851423  25.85490       11.70285  11.48365       11.70285  47.66439 12.21946  34.57827 12.78619  13.08612       17.68621  
1 1 1 26 3  21 o 34.22700 9.424337  9.744428       6.837778  16.78234       13.67556  2.706521       13.67556  38.81225 13.87762  29.64175 12.75477  9.170502       18.84867  
1 1 1 26 3  22 o 53.81876 14.37580  36.86205       15.77216  36.86205       15.77216  ?              ?         53.81876 14.37580  ?        ?         ?              ?         
1 1 1 26 4  0  o 73.43533 2.308508  54.09230       3.383151  54.09230       3.383151  54.09230       3.383151  73.43533 2.308508  73.43533 2.308508  0.000000       0.000000  
1 1 1 26 4  1  o 282.9446 1.684769  802.1737       6.723418  734.4202       13.44684  869.9274       13.44684  270.9717 2.481225  294.9176 2.279762  -23.94589      3.369539  
1 1 1 26 4  2  o 295.6541 1.792403  874.9926       7.485818  826.7946       14.97164  923.1906       14.97164  287.5030 2.603735  303.8052 2.464019  -16.30215      3.584805  
1 1 1 26 4  3  o 366.1417 2.060744  1341.229       10.66884  1369.242       21.33768  1313.215       21.33768  369.9672 2.883726  362.3163 2.944621  7.650970       4.121488  
1 1 1 26 4  4  o 141.3877 1.563644  202.8461       3.059131  154.7101       6.118262  250.9822       6.118262  124.3650 2.459800  158.4104 1.931142  -34.04542      3.127288  
1 1 1 26 4  5  o 140.5014 1.385458  197.6094       2.749406  186.1400       5.498813  209.0788       5.498813  136.4198 2.015402  144.5829 1.901612  -8.163177      2.770915  
1 1 1 26 4  6  o 359.0279 2.398930  1289.867       12.17935  1270.483       24.35869  1309.251       24.35869  356.3284 3.418011  361.7274 3.366995  -5.399017      4.797860  
1 1 1 26 4  7  o 472.3082 3.173763  2234.986       21.17567  2355.807       42.35134  2114.165       42.35134  485.0987 4.365229  459.5177 4.608238  25.58105       6.347526  
1 1 1 26 4  8  o 70.13187 2.571412  50.17071       2.477801  36.54757       4.955602  63.79385       4.955602  60.41935 4.101006  79.84439 3.103287  -19.42504      5.142824  
1 1 1 26 4  9  o 384.6237 2.384501  1484.241       12.92269  1337.831       25.84537  1630.650       25.84537  365.5909 3.534739  403.6566 3.201406  -38.06564      4.769002  
1 1 1 26 4  10 o 258.2427 1.734898  668.1152       6.323157  619.0118       12.64631  717.2185       12.64631  248.7355 2.542121  267.7500 2.361590  -19.01443      3.469796  
1 1 1 26 4  11 o 236.6506 1.750761  560.5453       5.856187  539.3029       11.71237  581.7877       11.71237  232.1624 2.522453  241.1387 2.428556  -8.976257      3.501521  
1 1 1 26 4  12 o 117.9553 1.622939  139.2286       2.706521  143.0549       5.413042  135.4023       5.413042  119.5773 2.263408  116.3334 2.326521  3.243851       3.245877  
1 1 1 26 4  13 o 106.7769 1.761761  114.4172       2.649341  102.4285       5.298682  126.4060       5.298682  101.1630 2.618883  112.3908 2.357257  -11.22783      3.523522  
1 1 1 26 4  14 o 268.6152 1.900349  722.3790       7.218978  719.1817       14.43796  725.5764       14.43796  268.0201 2.693447  269.2104 2.681538  -1.190308      3.800697  
1 1 1 26 4  15 o 129.6049 2.183182  168.5476       3.993072  155.9299       7.986144  181.1654       7.986144  124.7371 3.201189  134.4727 2.969430  -9.735527      4.366363  
1 1 1 26 4  16 o 77.25079 3.141345  60.10097       3.426036  56.07455       6.852073  64.12740       6.852073  74.64471 4.589791  79.85686 4.290222  -5.212151      6.282690  
1 1 1 26 4  17 o 28.32579 7.269981  5.312976       4.150317  -1.829761      8.300633  12.45572       8.300633  22.06733 9.715267  34.58426 10.81777  -12.51692      14.53996  
1 1 1 26 4  18 o 98.87210 3.907257  99.16922       5.460692  95.63359       10.92138  102.7048       10.92138  97.08412 5.624701  100.6601 5.424883  -3.575958      7.814514  
1 1 1 26 4  19 o 43.30834 7.036981  20.32273       4.679232  7.633533       9.358463  33.01193       9.358463  30.15234 11.37546  56.46435 8.287056  -26.31201      14.07396  
1 1 1 26 4  20 o 44.81540 8.631687  22.81483       5.632232  24.79707       11.26446  20.83259       11.26446  46.75832 11.98914  42.87247 12.42114  3.885857       17.26337  
1 1 1 26 4  21 o 34.51686 8.686839  5.355862       6.823483  26.38858       13.64697  -15.67686      13.64697  46.78718 13.70944  22.24654 10.67220  24.54064       17.37368  
1 1 1 26 4  22 o 88.21523 6.530934  85.38884       8.143388  82.47266       16.28678  88.30502       16.28678  86.56236 9.407540  89.86811 9.061488  -3.305756      13.06187  
1 1 1 26 5  0  o 120.3252 2.147904  144.9323       5.165262  144.9323       5.165262  144.9323       5.165262  120.3252 2.147904  120.3252 2.147904  0.000000       0.000000  
1 1 1 26 5  1  o 113.0268 1.055673  127.7926       1.686811  131.7904       3.373621  123.7947       3.373621  114.7953 1.469407  111.2583 1.516122  3.537079       2.111346  
1 1 1 26 5  2  o 268.2094 1.619688  720.0013       6.137322  757.4543       12.27464  682.5484       12.27464  275.1915 2.230201  261.2274 2.349418  13.96408       3.239377  
1 1 1 26 5  3  o 332.5565 1.874415  1109.092       8.781898  1220.650       17.56380  997.5341       17.56380  349.3293 2.513931  315.7837 2.780986  33.54565       3.748831  
1 1 1 26 5  4  o 190.1476 1.287184  361.7542       3.459391  347.6831       6.918783  375.8253       6.918783  186.4476 1.855423  193.8476 1.784593  -7.400070      2.574368  
1 1 1 26 5  5  o 150.5202 1.394605  227.3383       2.954301  201.5786       5.908603  253.0979       5.908603  141.9634 2.081031  159.0771 1.857151  -17.11371      2.789211  
1 1 1 26 5  6  o 229.2167 1.596965  525.6797       5.174792  542.3430       10.34958  509.0166       10.34958  232.8515 2.222357  225.5819 2.293975  7.269608       3.193930  
1 1 1 26 5  7  o 189.4866 1.466984  359.1430       3.931127  357.9279       7.862253  360.3580       7.862253  189.1660 2.078136  189.8072 2.071116  -0.6412506     2.933969  
1 1 1 26 5  8  o 414.3533 2.493960  1718.779       14.60950  1668.437       29.21899  1769.121       29.21899  408.2785 3.578316  420.4281 3.474910  -12.14960      4.987919  
1 1 1 26 5  9  o 253.3006 1.806824  642.0363       6.470873  658.2660       12.94175  625.8068       12.94175  256.5042 2.522716  250.0969 2.587346  6.407242       3.613649  
1 1 1 26 5  10 o 345.0397 2.117573  1194.481       10.29240  1072.669       20.58481  1316.294       20.58481  327.3878 3.143796  362.6917 2.837784  -35.30392      4.235147  
1 1 1 26 5  11 o 257.7525 1.730448  665.9948       6.289802  608.0428       12.57960  723.9467       12.57960  246.5107 2.551533  268.9943 2.338266  -22.48358      3.460897  
1 1 1 26 5  12 o 144.6555 1.684026  209.5553       3.440331  196.8708       6.880662  222.2397       6.880662  140.2712 2.452629  149.0399 2.308329  -8.768707      3.368051  
1 1 1 26 5  13 o 130.7548 1.784517  171.3542       3.292616  158.2838       6.585233  184.4246       6.585233  125.7567 2.618243  135.7528 2.425450  -9.996109      3.569034  
1 1 1 26 5  14 o 186.2401 1.798522  347.4782       4.731647  366.5335       9.463295  328.4230       9.463295  191.3559 2.472695  181.1243 2.612375  10.23155       3.597044  
1 1 1 26 5  15 o 27.92813 6.309771  7.095088       3.059131  12.02687       6.118262  2.163311       6.118262  33.78951 8.920979  22.06675 8.925749  11.72276       12.61954  
1 1 1 26 5  16 o 92.42554 3.066578  86.18935       3.988307  76.32580       7.976613  96.05291       7.976613  87.08959 4.579544  97.76149 4.079630  -10.67190      6.133156  
1 1 1 26 5  17 o 85.15572 3.909602  73.60974       4.679232  82.92056       9.358463  64.29893       9.358463  90.62265 5.163424  79.68879 5.871882  10.93386       7.819204  
1 1 1 26 5  18 o 47.95919 7.511917  25.11156       4.965132  23.36757       9.930264  26.85555       9.930264  46.17790 10.91189  49.74047 10.32696  -3.562576      15.02383  
1 1 1 26 5  19 f 39.84291 8.020206  16.91099       5.136672  7.709774       10.27334  26.11221       10.27334  30.91558 11.84338  48.77024 10.81801  -17.85466      16.04041  
1 1 1 26 5  20 o 80.50194 5.554111  67.43907       6.323157  67.66302       12.64631  67.21511       12.64631  80.64104 7.841116  80.36284 7.868260  0.2781982      11.10822  
1 1 1 26 5  21 o 57.70193 8.978786  39.13972       7.333338  49.13670       14.66668  29.14275       14.66668  66.56052 11.01755  48.84334 14.18055  17.71718       17.95757  
1 1 1 26 5  22 o 22.57137 11.07580  -25.95973      17.05871  -25.95973      17.05871  ?              ?         22.57137 11.07580  ?        ?         ?              ?         
1 1 1 26 6  0  o 174.1077 2.604013  303.3781       9.063033  303.3781       9.063033  303.3781       9.063033  174.1077 2.604013  174.1077 2.604013  0.000000       0.000000  
1 1 1 26 6  1  o 211.6917 1.384523  449.8781       4.121727  504.7090       8.243454  395.0472       8.243454  224.6423 1.834795  198.7410 2.073919  25.90129       2.769046  
1 1 1 26 6  2  o 107.6137 1.095900  115.8229       1.667751  117.1809       3.335501  114.4649       3.335501  108.2447 1.540723  106.9827 1.558897  1.261955       2.191800  
1 1 1 26 6  3  o 281.9945 1.595398  795.8887       6.356512  756.1963       12.71302  835.5812       12.71302  274.9567 2.311823  289.0323 2.199239  -14.07562      3.190796  
1 1 1 26 6  4  o 232.8814 1.476166  542.9052       4.855536  511.4562       9.711073  574.3542       9.711073  226.1293 2.147239  239.6336 2.026234  -13.50432      2.952332  
1 1 1 26 6  5  o 213.3798 1.709274  456.4157       5.141437  414.2788       10.28287  498.5526       10.28287  203.5061 2.526429  223.2534 2.302960  -19.74736      3.418548  
1 1 1 26 6  6  o 288.0059 1.891871  830.5303       7.695479  879.6956       15.39096  781.3650       15.39096  296.5414 2.595078  279.4704 2.753593  17.07095       3.783742  
1 1 1 26 6  7  o 330.1548 2.046241  1093.120       9.520474  987.4608       19.04095  1198.779       19.04095  314.1533 3.030519  346.1562 2.750340  -32.00293      4.092483  
1 1 1 26 6  8  o 214.5961 1.590904  460.7614       4.826947  472.6405       9.653894  448.8823       9.653894  217.3639 2.220675  211.8284 2.278707  5.535583       3.181808  
1 1 1 26 6  9  o 194.4258 1.565881  378.5984       4.298031  352.8103       8.596063  404.3866       8.596063  187.7939 2.288696  201.0576 2.137711  -13.26376      3.131763  
1 1 1 26 6  10 o 249.4818 1.678728  622.6904       5.922898  622.1854       11.84580  623.1955       11.84580  249.3806 2.375043  249.5831 2.373117  -0.2024384     3.357457  
1 1 1 26 6  11 o 135.3801 1.527719  183.9243       2.911416  163.5730       5.822832  204.2756       5.822832  127.8638 2.276967  142.8965 2.037430  -15.03272      3.055438  
1 1 1 26 6  12 o 181.6306 1.748489  330.2194       4.488632  343.2231       8.977263  317.2157       8.977263  185.2103 2.423532  178.0509 2.520983  7.159424       3.496979  
1 1 1 26 6  13 o 75.69830 2.381396  57.38492       2.549276  56.81788       5.098552  57.95195       5.098552  75.32376 3.384424  76.07283 3.351099  -0.7490692     4.762793  
1 1 1 26 6  14 o 254.7722 1.918890  650.4609       6.904487  689.3814       13.80897  611.5403       13.80897  262.4105 2.631179  247.1339 2.793825  15.27660       3.837780  
1 1 1 26 6  15 o 32.19490 5.293749  7.724068       3.406976  -7.624003      6.813953  23.07214       6.813953  16.61257 7.825885  47.77723 7.130963  -31.16466      10.58750  
1 1 1 26 6  16 o 83.12027 3.280956  70.85558       3.745291  51.56685       7.490582  90.14430       7.490582  71.51737 5.236897  94.72318 3.953934  -23.20580      6.561912  
1 1 1 26 6  17 o 53.26905 5.223831  29.03316       3.916832  25.85490       7.833663  32.21141       7.833663  50.28584 7.789135  56.25226 6.962976  -5.966427      10.44766  
1 1 1 26 6  18 o 73.29655 4.336182  54.87376       4.474337  60.79190       8.948673  48.95563       8.948673  77.33366 5.785756  69.25943 6.460257  8.074234       8.672363  
1 1 1 26 6  19 o 34.96573 8.844745  11.87915       5.555993  10.59736       11.11199  13.16094       11.11199  33.87619 12.46984  36.05528 12.54676  -2.179092      17.68949  
1 1 1 26 6  20 o 34.03611 9.293214  9.730135       6.418458  13.16094       12.83692  6.299332       12.83692  36.46135 13.40461  31.61087 12.87524  4.850475       18.58643  
1 1 1 26 6  21 o 48.06181 9.663916  27.93244       6.918783  24.52070       13.83757  31.34418       13.83757  45.06109 13.94178  51.06253 13.38625  -6.001442      19.32783  
1 1 1 26 6  22 o 69.66420 8.353260  57.79470       7.938493  67.25324       15.87699  48.33618       15.87699  76.99145 10.31088  62.33695 13.14510  14.65450       16.70652  
1 1 1 26 7  0  o 641.5408 6.911542  4121.250       88.65762  4121.250       88.65762  4121.250       88.65762  641.5408 6.911542  641.5408 6.911542  0.000000       0.000000  
1 1 1 26 7  1  o 452.9246 2.515578  2053.535       16.10094  1961.561       32.20188  2145.509       32.20188  442.7712 3.636402  463.0779 3.476940  -20.30670      5.031156  
1 1 1 26 7  2  o 255.4542 1.549865  656.0693       5.555993  749.7635       11.11199  562.3751       11.11199  273.7929 2.029268  237.1154 2.343159  36.67749       3.099730  
1 1 1 26 7  3  o 536.4244 2.976812  2880.811       22.57182  2777.872       45.14363  2983.749       45.14363  526.8295 4.284463  546.0193 4.133886  -19.18976      5.953624  
1 1 1 26 7  4  o 146.0347 1.186974  215.0827       2.420621  254.1938       4.841242  175.9715       4.841242  159.4258 1.518337  132.6437 1.824905  26.78209       2.373947  
1 1 1 26 7  5  o 124.0644 1.227532  154.6243       2.139486  134.1443       4.278972  175.1043       4.278972  115.8106 1.847401  132.3181 1.616926  -16.50755      2.455064  
1 1 1 26 7  6  f 154.3570 1.406127  238.8505       3.059131  261.4652       6.118262  216.2358       6.118262  161.6824 1.892061  147.0315 2.080595  14.65092       2.812254  
1 1 1 26 7  7  o 331.7552 2.057189  1101.387       9.649128  1131.135       19.29826  1071.640       19.29826  336.2386 2.869726  327.2718 2.948353  8.966827       4.114379  
1 1 1 26 7  8  o 346.7570 2.174961  1204.797       10.64501  1118.174       21.29003  1291.420       21.29003  334.2666 3.184588  359.2474 2.963143  -24.98087      4.349922  
1 1 1 26 7  9  o 147.5435 1.521992  217.8750       3.173491  208.3735       6.346982  227.3764       6.346982  144.3237 2.198871  150.7634 2.104948  -6.439743      3.043984  
1 1 1 26 7  10 o 190.7704 1.416005  364.2701       3.816766  382.1913       7.633533  346.3489       7.633533  195.4674 1.952636  186.0733 2.051217  9.394119       2.832009  
1 1 1 26 7  11 o 134.3768 1.532006  180.8509       2.906651  168.9574       5.813303  192.7443       5.813303  129.9513 2.236723  138.8022 2.094096  -8.850830      3.064012  
1 1 1 26 7  12 o 230.3660 1.836674  531.2596       5.980077  510.1125       11.96015  552.4067       11.96015  225.7761 2.648676  234.9559 2.545192  -9.179764      3.673348  
1 1 1 26 7  13 o 156.5410 1.682980  245.4167       3.721466  259.1017       7.442933  231.7316       7.442933  160.9121 2.312732  152.1700 2.445599  8.742157       3.365959  
1 1 1 26 7  14 o 79.33208 2.705446  63.09339       3.035306  63.14580       6.070612  63.04098       6.070612  79.36512 3.824484  79.29905 3.827671  0.6607056E-01  5.410891  
1 1 1 26 7  15 o 172.9214 1.853331  299.4947       4.531517  305.8274       9.063033  293.1620       9.063033  174.7524 2.593106  171.0903 2.648612  3.662170       3.706662  
1 1 1 26 7  16 o 151.5424 2.003338  230.5451       4.283737  248.3615       8.567473  212.7287       8.567473  157.4207 2.721203  145.6640 2.940834  11.75667       4.006675  
1 1 1 26 7  17 o 73.39976 4.622748  56.72734       4.526752  35.55644       9.053504  77.89825       9.053504  58.97812 7.675308  87.82140 5.154498  -28.84329      9.245497  
1 1 1 26 7  18 o 38.48215 7.879782  15.65303       4.869832  7.652593       9.739664  23.65347       9.739664  30.49455 11.57530  46.46975 10.69469  -15.97519      15.75956  
1 1 1 26 7  19 o 141.4308 3.229717  202.2982       6.456578  209.6696       12.91316  194.9267       12.91316  144.0368 4.482587  138.8248 4.650882  5.212051       6.459435  
1 1 1 26 7  20 o 45.99944 8.572745  24.11091       5.808537  31.11546       11.61707  17.10636       11.61707  52.67403 11.35144  39.32485 12.84962  13.34918       17.14549  
1 1 1 26 7  21 o 36.74735 9.028894  10.56401       6.933078  27.96103       13.86616  -6.833013      13.86616  48.05076 13.73584  25.44395 11.72222  22.60681       18.05779  
1 1 1 26 8  0  o 631.1240 6.778657  3988.602       85.54131  3988.602       85.54131  3988.602       85.54131  631.1240 6.778657  631.1240 6.778657  0.000000       0.000000  
1 1 1 26 8  1  o 100.1679 1.190964  100.3605       1.686811  102.5238       3.373621  98.19716       3.373621  101.2477 1.666024  99.08804 1.702336  2.159676       2.381928  
1 1 1 26 8  2  o 406.0579 2.316818  1651.264       13.28483  1547.997       26.56965  1754.531       26.56965  393.3421 3.377423  418.7737 3.172316  -25.43158      4.633635  
1 1 1 26 8  3  o 498.7122 2.830150  2489.027       19.96059  2483.004       39.92118  2495.050       39.92118  498.1084 4.007279  499.3161 3.997587  -1.207703      5.660299  
1 1 1 26 8  4  o 143.1990 1.246467  205.5431       2.515921  186.2735       5.031842  224.8128       5.031842  136.4707 1.843561  149.9273 1.678094  -13.45659      2.492934  
1 1 1 26 8  5  o 143.3492 1.289468  205.6765       2.611221  216.7980       5.222442  194.5550       5.222442  147.2284 1.773585  139.4700 1.872245  7.758331       2.578935  
1 1 1 26 8  6  o 475.5213 2.678397  2263.490       18.00694  2324.863       36.01388  2202.117       36.01388  481.9746 3.736077  469.0681 3.838876  12.90652       5.356794  
1 1 1 26 8  7  o 203.0828 1.422023  412.8874       4.078841  388.7479       8.157682  437.0269       8.157682  197.1395 2.069013  209.0261 1.951356  -11.88654      2.844047  
1 1 1 26 8  8  o 142.8415 1.292699  204.0945       2.611221  201.6549       5.222442  206.5342       5.222442  141.9875 1.839049  143.6955 1.817191  -1.707932      2.585398  
1 1 1 26 8  9  o 56.58638 2.620368  32.30195       2.072776  26.67448       4.145552  37.92942       4.145552  51.61393 4.015924  61.55884 3.367146  -9.944916      5.240736  
1 1 1 26 8  10 o 188.0562 1.441340  353.9063       3.831062  340.0496       7.662123  367.7628       7.662123  184.3721 2.077897  191.7404 1.998046  -7.368347      2.882680  
1 1 1 26 8  11 o 150.2723 1.460849  226.0374       3.102016  236.5823       6.204032  215.4924       6.204032  153.7809 2.017166  146.7637 2.113613  7.017227       2.921698  
1 1 1 26 8  12 o 233.5179 1.724153  546.5552       5.679882  502.3265       11.35976  590.7840       11.35976  224.0478 2.535121  242.9880 2.337516  -18.94020      3.448306  
1 1 1 26 8  13 o 140.7357 1.757564  198.2479       3.497512  194.1071       6.995024  202.3887       6.995024  139.2645 2.511416  142.2068 2.459455  -2.942245      3.515129  
1 1 1 26 8  14 o 182.1964 1.832271  332.5304       4.717352  317.2252       9.434704  347.8356       9.434704  177.9962 2.650254  186.3966 2.530814  -8.400375      3.664542  
1 1 1 26 8  15 o 60.90490 3.770518  37.35285       3.244966  35.61362       6.489933  39.09208       6.489933  59.47708 5.455826  62.33273 5.205879  -2.855644      7.541036  
1 1 1 26 8  16 o 74.26025 3.899147  56.13649       4.040722  66.51943       8.081444  45.75355       8.081444  81.25117 4.973125  67.26933 6.006782  13.98183       7.798294  
1 1 1 26 8  17 o 81.02431 4.090941  66.60043       4.674467  60.91579       9.348933  72.28508       9.348933  77.51633 6.030300  84.53230 5.529799  -7.015976      8.181882  
1 1 1 26 8  18 o 56.79657 6.669149  34.47955       5.150967  41.22680       10.30193  27.73231       10.30193  63.16473 8.154816  50.42842 10.55505  12.73631       13.33830  
1 1 1 26 8  19 o 118.6026 3.335149  142.7261       5.570287  157.7025       11.14057  127.7497       11.14057  124.9163 4.459215  112.2889 4.960673  12.62738       6.670298  
1 1 1 26 8  20 o 83.09208 5.238844  71.75616       6.151618  74.82005       12.30324  68.69226       12.30324  84.93575 7.242672  81.24841 7.571371  3.687347       10.47769  
1 1 1 26 8  21 o 68.71378 8.208337  53.55862       7.790778  56.85600       15.58156  50.26124       15.58156  71.62965 10.87647  65.79792 12.29673  5.831726       16.41667  
1 1 1 26 9  0  o 188.9193 2.657098  357.1750       10.03509  357.1750       10.03509  357.1750       10.03509  188.9193 2.657098  188.9193 2.657098  0.000000       0.000000  
1 1 1 26 9  1  o 262.3018 1.653499  688.2807       6.132557  703.4095       12.26511  673.1519       12.26511  265.1857 2.312552  259.4179 2.363968  5.767792       3.306999  
1 1 1 26 9  2  o 298.6942 1.803535  893.5093       7.604944  832.1599       15.20989  954.8588       15.20989  288.4246 2.636718  308.9638 2.461435  -20.53922      3.607069  
1 1 1 26 9  3  o 489.9202 2.980376  2402.485       20.64675  2356.560       41.29350  2448.410       41.29350  485.2332 4.255016  494.6072 4.174374  -9.373993      5.960752  
1 1 1 26 9  4  o 104.3310 1.229504  109.5760       1.796406  91.99313       3.592812  127.1588       3.592812  95.90457 1.873118  112.7575 1.593158  -16.85295      2.459009  
1 1 1 26 9  5  o 123.1216 1.377088  153.0757       2.363441  182.7855       4.726882  123.3659       4.726882  135.1868 1.748278  111.0563 2.128146  24.13046       2.754175  
1 1 1 26 9  6  o 530.3032 2.952562  2815.092       22.14296  2803.956       44.28593  2826.228       44.28593  529.2532 4.183813  531.3531 4.167278  -2.099915      5.905125  
1 1 1 26 9  7  o 272.8321 1.711785  746.1469       6.585233  679.9467       13.17047  812.3470       13.17047  260.7001 2.525980  284.9641 2.310899  -24.26404      3.423570  
1 1 1 26 9  8  o 170.1317 1.386483  289.5548       3.335501  284.3086       6.671002  294.8011       6.671002  168.5899 1.978471  171.6735 1.942933  -3.083649      2.772965  
1 1 1 26 9  9  o 214.8330 1.538579  461.7096       4.674467  463.9015       9.348933  459.5177       9.348933  215.3431 2.170707  214.3228 2.181040  1.020294       3.077158  
1 1 1 26 9  10 o 101.3532 1.595092  103.4577       2.263376  86.61820       4.526752  120.2972       4.526752  93.04583 2.432539  109.6605 2.063984  -16.61469      3.190185  
1 1 1 26 9  11 o 111.8415 1.651035  125.1575       2.611221  123.4421       5.222442  126.8729       5.222442  111.0746 2.350871  112.6084 2.318851  -1.533775      3.302070  
1 1 1 26 9  12 o 203.5864 1.663353  415.8560       4.769767  372.8900       9.539534  458.8221       9.539534  193.0341 2.470945  214.1387 2.227420  -21.10455      3.326705  
1 1 1 26 9  13 o 113.5059 2.203805  129.0601       3.535631  124.1188       7.071262  134.0014       7.071262  111.3292 3.175835  115.6825 3.056323  -4.353348      4.407611  
1 1 1 26 9  14 o 248.0419 1.934556  616.1671       6.785362  605.5650       13.57072  626.7693       13.57072  245.9047 2.759346  250.1791 2.712202  -4.274353      3.869112  
1 1 1 26 9  15 o 109.9491 2.427664  121.6600       3.754822  107.2792       7.509643  136.0408       7.509643  103.4094 3.631025  116.4889 3.223330  -13.07948      4.855327  
1 1 1 26 9  16 o 129.9184 2.513275  169.4911       4.617287  172.0928       9.234573  166.8894       9.234573  130.9196 3.526810  128.9171 3.581594  2.002563       5.026550  
1 1 1 26 9  17 o 104.3044 3.077380  111.0484       4.445747  85.42696       8.891494  136.6698       8.891494  92.02235 4.831160  116.5864 3.813262  -24.56409      6.154760  
1 1 1 26 9  18 o 175.5034 2.256690  309.8109       5.594112  292.0565       11.18822  327.5653       11.18822  170.4453 3.282058  180.5615 3.098175  -10.11627      4.513379  
1 1 1 26 9  19 o 65.58329 6.138545  46.63984       5.241503  62.93615       10.48301  30.34353       10.48301  78.37291 6.687901  52.79367 10.29558  25.57924       12.27709  
1 1 1 26 9  20 o 33.85057 9.343134  5.103316       7.371458  20.55622       14.74292  -10.34958      14.74292  42.41144 14.47550  25.28969 11.81678  17.12174       18.68627  
1 1 1 26 9  21 o 62.38789 8.962029  46.11092       7.752658  33.96493       15.50532  58.25692       15.50532  52.31319 14.38077  72.46259 10.69884  -20.14941      17.92406  
1 1 1 26 10 0  o 114.6597 2.504436  131.6761       5.737062  131.6761       5.737062  131.6761       5.737062  114.6597 2.504436  114.6597 2.504436  0.000000       0.000000  
1 1 1 26 10 1  o 464.3021 2.544569  2157.269       16.70610  2117.643       33.41219  2196.895       33.41219  460.0349 3.631485  468.5694 3.565341  -8.534454      5.089139  
1 1 1 26 10 2  o 470.5912 2.617681  2216.036       17.42085  2202.317       34.84169  2229.754       34.84169  469.1337 3.713408  472.0488 3.690476  -2.915100      5.235362  
1 1 1 26 10 3  o 360.2857 2.193273  1299.140       11.16916  1348.343       22.33833  1249.936       22.33833  367.1141 3.042423  353.4573 3.159975  13.65677       4.386546  
1 1 1 26 10 4  o 166.7249 1.263721  278.1141       2.978126  288.4160       5.956253  267.8122       5.956253  169.8144 1.753753  163.6354 1.819977  6.179001       2.527443  
1 1 1 26 10 5  o 371.3029 2.144510  1379.864       11.25493  1328.244       22.50987  1431.483       22.50987  364.3518 3.089030  378.2540 2.975497  -13.90222      4.289020  
1 1 1 26 10 6  o 275.3508 1.802354  758.7931       7.014082  789.7038       14.02816  727.8826       14.02816  280.9638 2.496437  269.7379 2.600333  11.22592       3.604709  
1 1 1 26 10 7  o 127.6618 1.350100  163.5587       2.425386  182.3280       4.850772  144.7893       4.850772  135.0130 1.796409  120.3107 2.015936  14.70239       2.700201  
1 1 1 26 10 8  o 259.5451 1.706277  674.0620       6.261212  692.2595       12.52242  655.8644       12.52242  263.0508 2.380230  256.0394 2.445409  7.011322       3.412554  
1 1 1 26 10 9  o 90.78900 1.690466  82.88721       2.153781  94.70918       4.307562  71.06524       4.307562  97.29969 2.213554  84.27832 2.555557  13.02137       3.380931  
1 1 1 26 10 10 o 384.1359 2.253225  1478.022       12.22700  1397.518       24.45399  1558.527       24.45399  373.6573 3.272249  394.6146 3.098465  -20.95737      4.506451  
1 1 1 26 10 11 o 22.04057 5.106234  3.588047       2.129956  -1.076890      4.259912  8.252983       4.259912  15.92772 6.986323  28.15342 7.448878  -12.22569      10.21247  
1 1 1 26 10 12 f 72.58343 2.411593  52.92965       2.463506  58.91449       4.927012  46.94480       4.927012  76.70616 3.211615  68.46069 3.598424  8.245468       4.823186  
1 1 1 26 10 13 o 228.5544 1.901373  523.1496       6.142087  543.8582       12.28417  502.4409       12.28417  233.0847 2.635131  224.0240 2.741709  9.060715       3.802747  
1 1 1 26 10 14 o 247.8068 1.923409  616.0385       6.723418  565.3579       13.44684  666.7191       13.44684  237.5809 2.829948  258.0326 2.605647  -20.45166      3.846817  
1 1 1 26 10 15 o 214.4758 1.964783  462.0908       5.937192  508.0540       11.87438  416.1277       11.87438  225.1911 2.636513  203.7606 2.913808  21.43050       3.929565  
1 1 1 26 10 16 o 43.91710 6.661864  20.59911       4.012132  19.88912       8.024263  21.30909       8.024263  43.11506 9.558423  44.71914 9.282149  -1.604084      13.32373  
1 1 1 26 10 17 o 119.5679 2.845721  143.9221       4.807887  150.7170       9.615773  137.1272       9.615773  122.4094 3.927711  116.7265 4.118933  5.682861       5.691443  
1 1 1 26 10 18 o 61.58162 6.410513  39.46851       5.575052  41.78907       11.15010  37.14795       11.15010  63.46575 8.784348  59.69748 9.338840  3.768269       12.82103  
1 1 1 26 10 19 o 61.34713 6.992209  39.76394       6.065848  40.29285       12.13170  39.23503       12.13170  61.77822 9.818748  60.91605 9.957717  0.8621712      13.98442  
1 1 1 26 10 20 o 30.62275 9.075345  4.674466       6.623353  5.841892       13.24671  3.507041       13.24671  31.31063 12.96215  29.93487 12.70552  1.375767       18.15069  
1 1 1 26 10 21 o 38.63464 14.47827  16.76328       15.10505  16.76328       15.10505  ?              ?         38.63464 14.47827  ?        ?         ?              ?         
1 1 1 26 11 0  o 125.0591 2.371849  156.5875       5.927662  156.5875       5.927662  156.5875       5.927662  125.0591 2.371849  125.0591 2.371849  0.000000       0.000000  
1 1 1 26 11 1  o 210.0870 1.405465  441.5632       4.174142  455.7057       8.348284  427.4207       8.348284  213.4529 1.955533  206.7212 2.019214  6.731750       2.810931  
1 1 1 26 11 2  o 426.3995 2.312261  1819.211       13.94240  1844.380       27.88479  1794.042       27.88479  429.3509 3.247320  423.4482 3.292586  5.902649       4.624522  
1 1 1 26 11 3  o 223.7466 1.585829  500.7827       5.017547  493.3206       10.03509  508.2447       10.03509  222.0791 2.259352  225.4141 2.225924  -3.335007      3.171657  
1 1 1 26 11 4  o 216.6629 1.396083  470.1342       4.269442  436.4265       8.538883  503.8418       8.538883  208.8841 2.043928  224.4418 1.902249  -15.55765      2.792166  
1 1 1 26 11 5  o 228.8326 1.552696  525.2890       5.003252  581.3397       10.00650  469.2383       10.00650  241.0797 2.075352  216.5855 2.310058  24.49420       3.105391  
1 1 1 26 11 6  o 218.0104 1.479208  475.7855       4.555342  449.4445       9.110683  502.1264       9.110683  211.9691 2.149059  224.0516 2.033167  -12.08243      2.958416  
1 1 1 26 11 7  o 154.2971 1.383474  238.5312       3.011481  257.7675       6.022963  219.2949       6.022963  160.5306 1.875955  148.0636 2.033911  12.46706       2.766948  
1 1 1 26 11 8  o 148.6143 1.437521  222.3445       2.992421  257.6532       5.984842  187.0358       5.984842  160.4936 1.864512  136.7350 2.188483  23.75861       2.875041  
1 1 1 26 11 9  o 461.4886 2.554304  2132.543       16.66321  2059.834       33.32642  2205.252       33.32642  453.6109 3.673460  469.3662 3.550152  -15.75534      5.108609  
1 1 1 26 11 10 o 250.0112 1.731670  628.6324       6.075377  538.8074       12.15075  718.4575       12.15075  232.0470 2.618167  267.9754 2.267140  -35.92841      3.463340  
1 1 1 26 11 11 o 90.83876 1.968286  83.16358       2.501626  97.10121       5.003252  69.22595       5.003252  98.51039 2.539454  83.16713 3.007951  15.34326       3.936571  
1 1 1 26 11 12 o 101.5186 2.014628  103.1671       2.892356  102.6763       5.784712  103.6578       5.784712  101.2769 2.855890  101.7603 2.842322  -0.4834518     4.029256  
1 1 1 26 11 13 o 54.73717 3.776374  30.17675       2.911416  33.29784       5.822832  27.05568       5.822832  57.58813 5.055583  51.88620 5.611156  5.701931       7.552748  
1 1 1 26 11 14 o 181.5916 2.007781  330.5339       5.150967  313.4323       10.30193  347.6355       10.30193  176.8827 2.912080  186.3004 2.764872  -9.417618      4.015561  
1 1 1 26 11 15 o 95.51273 2.634013  91.73105       3.549927  84.67409       7.099854  98.78801       7.099854  91.81847 3.866244  99.20699 3.578303  -7.388512      5.268026  
1 1 1 26 11 16 o 137.6052 2.436338  190.1426       4.741177  190.6287       9.482354  189.6566       9.482354  137.7818 3.441077  137.4286 3.449921  0.3532104      4.872676  
1 1 1 26 11 17 o 43.45809 7.854317  20.54669       4.869832  23.21509       9.739664  17.87829       9.739664  46.27971 10.72377  40.63648 11.47876  5.643223       15.70863  
1 1 1 26 11 18 o 121.5128 3.449350  149.9022       5.894307  131.8286       11.78861  167.9758       11.78861  114.0759 5.167005  128.9498 4.571010  -14.87386      6.898701  
1 1 1 26 11 19 o 105.3631 4.478222  113.7644       6.671002  110.7768       13.34200  116.7521       13.34200  103.9453 6.417802  106.7809 6.247376  -2.835579      8.956445  
1 1 1 26 11 20 o 90.64874 5.889201  86.80881       7.523938  78.95608       15.04788  94.66153       15.04788  86.31733 8.716601  94.98014 7.921591  -8.662811      11.77840  
1 1 1 26 11 21 f 34.34956 14.05920  10.03509       15.38142  10.03509       15.38142  ?              ?         34.34956 14.05920  ?        ?         ?              ?         
1 1 1 26 12 0  o 135.7645 2.405872  184.5199       6.528053  184.5199       6.528053  184.5199       6.528053  135.7645 2.405872  135.7645 2.405872  0.000000       0.000000  
1 1 1 26 12 1  o 293.0910 1.815359  859.3538       7.523938  871.9286       15.04788  846.7791       15.04788  295.2362 2.548447  290.9458 2.586027  4.290405       3.630718  
1 1 1 26 12 2  o 236.5063 1.471655  559.4780       4.922247  560.3833       9.844495  558.5726       9.844495  236.6977 2.079550  236.3149 2.082918  0.3827972      2.943310  
1 1 1 26 12 3  o 411.2446 2.415350  1695.364       14.00911  1839.596       28.01821  1551.132       28.01821  428.7806 3.267196  393.7086 3.558242  35.07199       4.830699  
1 1 1 26 12 4  o 232.8897 1.544023  542.6003       5.084257  555.4467       10.16851  529.7538       10.16851  235.6477 2.157567  230.1316 2.209282  5.516113       3.088045  
1 1 1 26 12 5  o 157.1629 1.341318  248.0184       2.963831  217.1602       5.927662  278.8765       5.927662  147.3457 2.011481  166.9802 1.774960  -19.63451      2.682637  
1 1 1 26 12 6  o 146.1747 1.456866  213.7437       3.011481  216.4836       6.022963  211.0038       6.022963  147.1119 2.047068  145.2375 2.073487  1.874390       2.913733  
1 1 1 26 12 7  o 152.3014 1.527063  233.8949       3.249731  275.4267       6.499463  192.3631       6.499463  165.9361 1.958423  138.6666 2.343557  27.26945       3.054125  
1 1 1 26 12 8  o 256.0221 1.683782  655.9168       6.094438  636.3851       12.18888  675.4485       12.18888  252.2076 2.416437  259.8365 2.345489  -7.628937      3.367564  
1 1 1 26 12 9  o 454.6645 2.558291  2069.855       16.44402  2007.543       32.88805  2132.167       32.88805  447.8120 3.672082  461.5170 3.563037  -13.70505      5.116583  
1 1 1 26 12 10 o 235.0091 1.612403  553.4406       5.346332  509.7980       10.69266  597.0833       10.69266  225.7238 2.368529  244.2944 2.188480  -18.57060      3.224806  
1 1 1 26 12 11 o 148.2070 1.578156  219.8000       3.306911  214.0629       6.613823  225.5371       6.613823  146.2715 2.260803  150.1425 2.202515  -3.870987      3.156312  
1 1 1 26 12 12 o 125.9153 1.769117  158.8509       3.144901  169.5578       6.289802  148.1439       6.289802  130.1669 2.416053  121.6636 2.584915  8.503304       3.538234  
1 1 1 26 12 13 o 103.5217 2.150949  107.4222       3.144901  101.0848       6.289802  113.7597       6.289802  100.4608 3.130476  106.5827 2.950669  -6.121864      4.301898  
1 1 1 26 12 14 o 39.48677 6.225957  16.47738       3.635697  7.423873       7.271393  25.53088       7.271393  28.72200 10.13435  50.25153 7.234997  -21.52954      12.45191  
1 1 1 26 12 15 o 109.1872 2.610219  119.9780       4.016897  131.3139       8.033793  108.6420       8.033793  114.3782 3.511941  103.9961 3.862544  10.38211       5.220439  
1 1 1 26 12 16 o 108.4832 2.848709  118.3769       4.369507  121.1931       8.739014  115.5608       8.739014  109.7812 3.980197  107.1853 4.076592  2.595894       5.697418  
1 1 1 26 12 17 o 117.6639 2.832855  139.6908       4.698292  126.6633       9.396584  152.7183       9.396584  112.1280 4.190115  123.1998 3.813555  -11.07180      5.665709  
1 1 1 26 12 18 o 96.61336 3.922380  94.86166       5.351098  100.7989       10.70220  88.92446       10.70220  99.68602 5.367952  93.54070 5.720609  6.145317       7.844761  
1 1 1 26 12 19 o 68.31963 6.590775  49.29871       6.366043  50.60432       12.73209  47.99310       12.73209  69.27515 9.189506  67.36411 9.450199  1.911034       13.18155  
1 1 1 26 12 20 o 82.37891 5.601375  71.74664       6.432753  85.00764       12.86551  58.48564       12.86551  90.42770 7.113697  74.33013 8.654300  16.09756       11.20275  
1 1 1 26 12 21 o 24.61674 11.57055  -10.75937      14.73339  -10.75937      14.73339  ?              ?         24.61674 11.57055  ?        ?         ?              ?         
1 1 1 26 13 0  o 38.20642 5.490919  15.13365       4.059782  15.13365       4.059782  15.13365       4.059782  38.20642 5.490919  38.20642 5.490919  0.000000       0.000000  
1 1 1 26 13 1  o 176.3623 1.321917  314.0851       3.249731  375.1010       6.499463  253.0693       6.499463  193.6607 1.678054  159.0639 2.043036  34.59688       2.643834  
1 1 1 26 13 2  o 42.81609 2.735404  19.34591       1.524801  27.91338       3.049601  10.77843       3.049601  52.82106 2.886729  32.81111 4.647208  20.00994       5.470809  
1 1 1 26 13 3  o 324.0328 2.058713  1051.140       9.425174  998.4299       18.85035  1103.851       18.85035  315.8993 2.983601  332.1663 2.837487  -16.26700      4.117427  
1 1 1 26 13 4  o 281.8433 1.721493  794.6356       6.861602  791.5145       13.72320  797.7567       13.72320  281.2896 2.439337  282.3970 2.429772  -1.107391      3.442986  
1 1 1 26 13 5  o 92.77194 1.685768  86.11788       2.210961  83.52096       4.421922  88.71481       4.421922  91.37231 2.419728  94.17157 2.347801  -2.799255      3.371535  
1 1 1 26 13 6  o 234.1640 1.676712  548.6423       5.551227  562.5370       11.10245  534.7476       11.10245  237.1309 2.340997  231.1971 2.401080  5.933746       3.353424  
1 1 1 26 13 7  o 286.9162 1.848233  824.9886       7.481052  758.4549       14.96210  891.5223       14.96210  275.3216 2.717206  298.5108 2.506125  -23.18924      3.696467  
1 1 1 26 13 8  o 257.5878 1.771930  664.0555       6.451812  640.5020       12.90362  687.6089       12.90362  253.0159 2.549963  262.1598 2.461023  -9.143845      3.543860  
1 1 1 26 13 9  o 118.4355 1.639140  140.8487       2.730346  123.8424       5.460692  157.8550       5.460692  111.2560 2.454112  125.6151 2.173582  -14.35911      3.278280  
1 1 1 26 13 10 o 172.0416 1.511971  296.1210       3.678581  298.6131       7.357163  293.6290       7.357163  172.7659 2.129229  171.3173 2.147232  1.448532       3.023942  
1 1 1 26 13 11 o 133.2655 1.575650  177.7346       2.968596  172.5026       5.937192  182.9666       5.937192  131.3025 2.260883  135.2285 2.195244  -3.925980      3.151299  
1 1 1 26 13 12 o 178.2043 1.648900  317.8161       4.155082  323.2577       8.310163  312.3745       8.310163  179.7310 2.311833  176.6775 2.351789  3.053574       3.297800  
1 1 1 26 13 13 o 173.5903 1.735559  301.6866       4.259912  308.3338       8.519823  295.0394       8.519823  175.5049 2.427232  171.6757 2.481372  3.829224       3.471118  
1 1 1 26 13 14 o 157.4714 2.084099  248.4377       4.641112  250.6486       9.282224  246.2267       9.282224  158.1734 2.934192  156.7694 2.960471  1.404053       4.168198  
1 1 1 26 13 15 o 57.69966 4.718134  34.02688       3.797706  40.37863       7.595412  27.67513       7.595412  63.20381 6.008667  52.19551 7.275925  11.00829       9.436269  
1 1 1 26 13 16 o 205.1496 2.080630  422.5938       6.027727  448.7011       12.05545  396.4862       12.05545  211.5126 2.849820  198.7865 3.032262  12.72606       4.161260  
1 1 1 26 13 17 o 102.9835 3.374332  107.2078       4.912717  110.4146       9.825435  104.0009       9.825435  104.5405 4.699343  101.4266 4.843619  3.113945       6.748664  
1 1 1 26 13 18 o 47.18515 7.342175  24.34439       4.946072  15.23848       9.892144  33.45031       9.892144  37.62842 11.81726  56.74187 8.716794  -19.11345      14.68435  
1 1 1 26 13 19 o 51.76759 8.041167  30.40548       6.089673  45.57248       12.17935  15.23848       12.17935  65.66867 9.273331  37.86650 13.13951  27.80217       16.08233  
1 1 1 26 13 20 o 70.31322 6.478157  52.92011       6.437518  50.85210       12.87504  54.98812       12.87504  68.84264 9.351061  71.78379 8.967927  -2.941147      12.95631  
1 1 1 26 13 21 o 67.54762 8.699671  54.18283       7.967083  68.86381       15.93417  39.50187       15.93417  78.87606 10.10076  56.21919 14.16728  22.65687       17.39934  
1 1 1 26 14 0  o 139.4613 2.506264  194.7170       6.985494  194.7170       6.985494  194.7170       6.985494  139.4613 2.506264  139.4613 2.506264  0.000000       0.000000  
1 1 1 26 14 1  o 187.1839 1.333867  350.4564       3.530867  347.1304       7.061733  353.7823       7.061733  186.2955 1.895304  188.0723 1.877398  -1.776855      2.667733  
1 1 1 26 14 2  o 225.9999 1.439065  511.6754       4.588697  551.9778       9.177394  471.3731       9.177394  234.9164 1.953332  217.0835 2.113794  17.83293       2.878130  
1 1 1 26 14 3  o 138.4798 1.422089  192.1344       2.777996  207.8684       5.555993  176.4004       5.555993  144.1608 1.927012  132.7988 2.091883  11.36197       2.844178  
1 1 1 26 14 4  o 310.7494 1.842640  966.2233       8.095737  941.1926       16.19147  991.2538       16.19147  306.7220 2.639439  314.7769 2.571898  -8.054901      3.685281  
1 1 1 26 14 5  o 313.7367 1.966524  985.2547       8.719954  945.5289       17.43991  1024.980       17.43991  307.4056 2.836628  320.0678 2.724408  -12.66217      3.933047  
1 1 1 26 14 6  o 23.05330 4.596519  4.474337       1.920296  10.06368       3.840591  -1.115010      3.840591  31.10560 6.392836  15.00101 6.606330  16.10459       9.193038  
1 1 1 26 14 7  o 128.2278 1.435943  164.5736       2.601691  156.6447       5.203382  172.5026       5.203382  125.1361 2.079089  131.3196 1.981191  -6.183510      2.871886  
1 1 1 26 14 8  o 28.90196 4.329981  8.443583       2.072776  17.09683       4.145552  -0.2096601     4.145552  41.30700 5.017978  16.49692 7.057964  24.81007       8.659963  
1 1 1 26 14 9  o 236.1343 1.616719  557.8769       5.398747  563.3090       10.79749  552.4448       10.79749  237.2845 2.275222  234.9841 2.297495  2.300415       3.233437  
1 1 1 26 14 10 o 221.2573 1.638390  492.7965       5.079492  416.0228       10.15898  569.5702       10.15898  203.9078 2.491072  238.6067 2.128814  -34.69887      3.276780  
1 1 1 26 14 11 o 220.5535 1.608746  487.0785       5.012782  461.8621       10.02556  512.2949       10.02556  214.8369 2.333296  226.2701 2.215397  -11.43321      3.217492  
1 1 1 26 14 12 o 60.07584 3.080189  36.19972       2.615986  37.31949       5.231973  35.07994       5.231973  61.00780 4.287953  59.14387 4.423089  1.863930       6.160378  
1 1 1 26 14 13 o 168.6184 1.806658  285.1186       4.298031  307.6857       8.596063  262.5516       8.596063  175.3102 2.451673  161.9267 2.654307  13.38350       3.613315  
1 1 1 26 14 14 o 172.4046 1.864632  297.7364       4.545812  302.7015       9.091624  292.7712       9.091624  173.8446 2.614872  170.9646 2.658920  2.879929       3.729264  
1 1 1 26 14 15 o 141.4491 2.213555  201.1450       4.412392  220.5433       8.824783  181.7467       8.824783  148.3061 2.975192  134.5921 3.278343  13.71399       4.427110  
1 1 1 26 14 16 o 37.54925 7.610144  14.89063       4.426687  9.396584       8.853374  20.38468       8.853374  31.65110 11.18108  43.44740 10.32670  -11.79631      15.22029  
1 1 1 26 14 17 o 40.07214 7.098209  15.79598       4.979427  31.22982       9.958854  0.3621401      9.958854  54.76137 9.092957  25.38291 10.90213  29.37846       14.19642  
1 1 1 26 14 18 o 47.56612 8.181585  25.27833       5.636997  34.58438       11.27399  15.97229       11.27399  56.47367 10.36903  38.65857 12.65846  17.81509       16.36317  
1 1 1 26 14 19 o 70.48643 6.380991  52.68187       6.285037  61.55430       12.57007  43.80943       12.57007  76.78015 8.185759  64.19272 9.790889  12.58743       12.76198  
1 1 1 26 14 20 o 27.35613 8.542929  -9.744430      7.371458  -29.92421      14.74292  10.43535       14.74292  19.93655 9.876009  34.77572 13.94242  -14.83917      17.08586  
1 1 1 26 14 21 o 77.41619 8.224137  71.63704       8.162449  43.04703       16.32490  100.2270       16.32490  58.50239 14.09776  96.32999 8.473424  -37.82759      16.44827  
1 1 1 26 15 0  o 117.3929 2.714653  138.0612       6.366043  138.0612       6.366043  138.0612       6.366043  117.3929 2.714653  117.3929 2.714653  0.000000       0.000000  
1 1 1 26 15 1  f 167.7253 1.385950  281.9023       3.278321  306.1418       6.556643  257.6627       6.556643  174.9512 1.873849  160.4993 2.042577  14.45193       2.771900  
1 1 1 26 15 2  o 229.5965 1.543518  527.5572       5.008017  551.1487       10.01603  503.9657       10.01603  234.7341 2.133485  224.4589 2.231151  10.27521       3.087037  
1 1 1 26 15 3  o 144.5734 1.314670  209.8269       2.673166  184.4913       5.346332  235.1624       5.346332  135.8112 1.968295  153.3356 1.743344  -17.52432      2.629341  
1 1 1 26 15 4  o 282.9058 1.787094  801.2542       7.142738  842.8336       14.28548  759.6747       14.28548  290.2545 2.460854  275.5572 2.592107  14.69727       3.574188  
1 1 1 26 15 5  o 417.6739 2.515528  1746.626       14.85251  1804.878       29.70502  1688.374       29.70502  424.6473 3.497611  410.7005 3.616385  13.94684       5.031056  
1 1 1 26 15 6  o 42.89038 3.454856  18.98853       2.001301  12.56055       4.002602  25.41652       4.002602  35.39687 5.653892  50.38388 3.972105  -14.98701      6.909711  
1 1 1 26 15 7  o 129.3630 1.534771  168.0283       2.792291  188.3701       5.584582  147.6865       5.584582  137.2253 2.034823  121.5007 2.298169  15.72459       3.069541  
1 1 1 26 15 8  o 65.49728 2.444865  42.95649       2.263376  41.32210       4.526752  44.59089       4.526752  64.24960 3.522786  66.74497 3.391081  -2.495369      4.889729  
1 1 1 26 15 9  o 159.5043 1.479012  254.5655       3.335501  260.7981       6.671002  248.3329       6.671002  161.4580 2.065863  157.5505 2.117100  3.907501       2.958023  
1 1 1 26 15 10 o 110.6658 1.744991  122.5606       2.730346  125.6531       5.460692  119.4681       5.460692  112.0630 2.436438  109.2686 2.498748  2.794441       3.489982  
1 1 1 26 15 11 o 273.1063 1.898160  746.7330       7.328573  770.1196       14.65715  723.3464       14.65715  277.3879 2.641995  268.8247 2.726153  8.563171       3.796321  
1 1 1 26 15 12 f 227.9888 1.702637  520.5908       5.484517  546.7363       10.96903  494.4451       10.96903  233.7228 2.346591  222.2549 2.467670  11.46793       3.405273  
1 1 1 26 15 13 o 172.6406 1.819859  298.7656       4.436216  279.4673       8.872433  318.0639       8.872433  167.0515 2.655599  178.2298 2.489044  -11.17827      3.639718  
1 1 1 26 15 14 o 64.82744 3.723049  42.46569       3.397446  37.78646       6.794893  47.14493       6.794893  61.21845 5.549710  68.43643 4.964383  -7.217983      7.446098  
1 1 1 26 15 15 o 20.81351 6.541614  -2.544511      3.864417  -3.478451      7.728833  -1.610571      7.728833  20.22694 9.101768  21.40009 9.398334  -1.173145      13.08323  
1 1 1 26 15 16 o 184.4631 2.150000  341.4648       5.608407  337.3907       11.21681  345.5389       11.21681  183.3587 3.058707  185.5674 3.022303  -2.208618      4.300001  
1 1 1 26 15 17 o 91.62822 4.124796  85.40789       5.341567  88.87681       10.68313  81.93897       10.68313  93.52115 5.711614  89.73528 5.952583  3.785866       8.249593  
1 1 1 26 15 18 o 36.30799 8.909790  12.45095       5.918132  19.92724       11.83626  4.974662       11.83626  42.39141 12.85003  30.22457 12.34562  12.16684       17.81958  
1 1 1 26 15 19 f 131.4569 3.516942  176.2527       6.508993  157.3499       13.01799  195.1554       13.01799  124.2671 5.237904  138.6466 4.694665  -14.37943      7.033884  
1 1 1 26 15 20 o 56.61981 9.208684  38.41068       7.323808  48.32665       14.64762  28.49471       14.64762  64.94153 11.70495  48.29810 14.21948  16.64343       18.41737  
1 1 1 26 15 21 o 43.25231 15.12018  24.96861       16.15335  24.96861       16.15335  ?              ?         43.25231 15.12018  ?        ?         ?              ?         
1 1 1 26 16 0  o 216.4373 2.960140  468.8381       12.80832  468.8381       12.80832  468.8381       12.80832  216.4373 2.960140  216.4373 2.960140  0.000000       0.000000  
1 1 1 26 16 1  o 203.0762 1.404358  413.2876       4.021661  449.3588       8.043323  377.2166       8.043323  211.9574 1.897392  194.1951 2.070939  17.76230       2.808716  
1 1 1 26 16 2  o 84.42975 1.525495  72.21361       1.786876  56.11266       3.573751  88.31455       3.573751  74.89464 2.385853  93.96486 1.901643  -19.07022      3.050989  
1 1 1 26 16 3  o 180.8442 1.506070  327.2461       3.850122  338.4295       7.700243  316.0626       7.700243  183.9362 2.093183  177.7522 2.166005  6.184036       3.012141  
1 1 1 26 16 4  o 248.9558 1.660926  620.1173       5.846657  606.3941       11.69331  633.8406       11.69331  246.1997 2.374762  251.7120 2.322757  -5.512283      3.321851  
1 1 1 26 16 5  o 253.9742 1.797701  646.3153       6.442283  696.4050       12.88457  596.2256       12.88457  263.8354 2.441781  244.1131 2.639057  19.72234       3.595402  
1 1 1 26 16 6  o 160.7424 1.494335  258.6920       3.392681  273.7112       6.785362  243.6727       6.785362  165.4143 2.051021  156.0706 2.173812  9.343689       2.988670  
1 1 1 26 16 7  o 202.7954 1.551947  412.9112       4.426687  363.3028       8.853374  462.5197       8.853374  190.5642 2.322937  215.0266 2.058670  -24.46231      3.103894  
1 1 1 26 16 8  o 274.3714 1.856509  754.5095       7.185624  693.0314       14.37125  815.9875       14.37125  263.1679 2.730433  285.5748 2.516196  -22.40689      3.713018  
1 1 1 26 16 9  o 86.60525 2.007870  75.07261       2.458741  76.75465       4.917482  73.39056       4.917482  87.57635 2.807540  85.63415 2.871216  1.942200       4.015739  
1 1 1 26 16 10 f 132.5405 1.639501  175.9429       3.068661  186.8357       6.137322  165.0501       6.137322  136.6497 2.245640  128.4313 2.389341  8.218460       3.279001  
1 1 1 26 16 11 o 169.3481 1.637429  287.4440       3.912067  310.4875       7.824133  264.4004       7.824133  176.1517 2.220850  162.5445 2.406766  13.60721       3.274859  
1 1 1 26 16 12 o 84.64010 2.493723  71.97059       2.973361  64.67061       5.946723  79.27057       5.946723  80.32773 3.701538  88.95247 3.342641  -8.624741      4.987447  
1 1 1 26 16 13 o 220.6507 1.829787  489.5229       5.675117  551.5585       11.35023  427.4874       11.35023  234.7081 2.417947  206.5933 2.747000  28.11482       3.659573  
1 1 1 26 16 14 o 25.25160 7.020369  3.669051       3.730997  1.238901       7.461993  6.099203       7.461993  23.08858 9.653811  27.41462 10.19540  -4.326036      14.04074  
1 1 1 26 16 15 o 48.89312 6.038204  26.37905       3.888242  39.54952       7.776483  13.20859       7.776483  62.46413 6.224759  35.32211 10.34853  27.14203       12.07641  
1 1 1 26 16 16 o 52.20776 6.738234  30.15293       4.712587  15.52438       9.425174  44.78149       9.425174  38.14273 11.44773  66.27280 7.110891  -28.13007      13.47647  
1 1 1 26 16 17 o 61.15916 6.283822  39.81159       5.174792  49.09858       10.34958  30.52460       10.34958  69.13631 7.484912  53.18203 10.09563  15.95428       12.56764  
1 1 1 26 16 18 o 89.02202 4.769720  81.36240       5.999137  77.35504       11.99827  85.36977       11.99827  86.77125 6.913739  91.27279 6.572756  -4.501541      9.539439  
1 1 1 26 16 19 o 36.52333 8.690833  12.88933       5.918132  23.60582       11.83626  2.172841       11.83626  45.08282 12.62812  27.96385 11.94374  17.11897       17.38167  
1 1 1 26 16 20 o 73.80342 8.074980  64.47047       7.590649  35.62315       15.18130  93.31780       15.18130  53.88890 13.97211  93.71795 8.099461  -39.82905      16.14996  
1 1 1 26 16 21 o 54.69838 14.66324  42.28463       16.37255  42.28463       16.37255  ?              ?         54.69838 14.66324  ?        ?         ?              ?         
1 1 1 26 17 0  o 36.84822 7.898689  15.32425       5.108082  15.32425       5.108082  15.32425       5.108082  36.84822 7.898689  36.84822 7.898689  0.000000       0.000000  
1 1 1 26 17 1  o 396.9439 2.281829  1578.435       12.78926  1680.359       25.57853  1476.512       25.57853  409.7824 3.120989  384.1053 3.329624  25.67706       4.563658  
1 1 1 26 17 2  o 261.3578 1.740984  684.5449       6.418458  628.0463       12.83692  741.0436       12.83692  250.5491 2.561756  272.1665 2.358284  -21.61737      3.481968  
1 1 1 26 17 3  o 285.5772 1.881852  815.9684       7.600178  816.6546       15.20036  815.2823       15.20036  285.6973 2.660220  285.4571 2.662459  0.2402344      3.763703  
1 1 1 26 17 4  o 394.7227 2.353424  1559.371       13.13711  1569.811       26.27422  1548.931       26.27422  396.0451 3.317074  393.4002 3.339376  2.644897       4.706847  
1 1 1 26 17 5  o 37.36764 3.838032  14.49990       1.910766  10.36865       3.821531  18.63116       3.821531  31.60518 6.268569  43.13011 4.430236  -11.52493      7.676063  
1 1 1 26 17 6  o 187.3774 1.453145  351.2569       3.850122  358.3568       7.700243  344.1570       7.700243  189.2719 2.034175  185.4829 2.075729  3.789063       2.906289  
1 1 1 26 17 7  o 145.2628 1.519730  212.6430       3.087722  248.8379       6.175443  176.4480       6.175443  157.7213 1.957708  132.8044 2.325015  24.91689       3.039460  
1 1 1 26 17 8  o 88.04454 2.067674  77.61235       2.573101  80.60477       5.146202  74.61993       5.146202  89.74392 2.867159  86.34516 2.980018  3.398758       4.135348  
1 1 1 26 17 9  o 118.4845 1.630456  140.8392       2.720816  126.1391       5.441632  155.5392       5.441632  112.2812 2.423217  124.6879 2.182101  -12.40671      3.260912  
1 1 1 26 17 10 o 127.5793 1.749441  163.4491       3.140136  182.5568       6.280273  144.3414       6.280273  135.0678 2.324859  120.0907 2.614804  14.97709       3.498881  
1 1 1 26 17 11 o 51.10986 3.800970  26.76025       2.663636  19.26967       5.327272  34.25083       5.327272  43.78194 6.083870  58.43779 4.558072  -14.65585      7.601940  
1 1 1 26 17 12 o 78.87415 2.689200  62.40723       2.997186  65.32818       5.994372  59.48629       5.994372  80.72580 3.712799  77.02250 3.891313  3.703300       5.378400  
1 1 1 26 17 13 o 145.3020 1.977069  214.0629       3.988307  260.8648       7.976613  167.2611       7.976613  161.4070 2.470963  129.1969 3.086998  32.21007       3.954139  
1 1 1 26 17 14 o 64.75249 3.873893  42.36086       3.540397  39.30174       7.080793  45.42000       7.080793  62.39032 5.674593  67.11466 5.275146  -4.724346      7.747786  
1 1 1 26 17 15 o 94.52133 3.376323  90.51121       4.479102  103.2195       8.958203  77.80296       8.958203  101.2438 4.424077  87.79890 5.101546  13.44486       6.752646  
1 1 1 26 17 16 o 122.6757 2.941765  151.6176       5.103317  153.6237       10.20663  149.6115       10.20663  123.4933 4.132464  121.8581 4.187919  1.635262       5.883530  
1 1 1 26 17 17 o 71.84970 5.470984  53.38708       5.517872  60.65847       11.03574  46.11569       11.03574  76.90984 7.174469  66.78956 8.261580  10.12029       10.94197  
1 1 1 26 17 18 o 88.58797 4.925915  80.87160       6.170677  79.58506       12.34135  82.15816       12.34135  87.86182 7.023161  89.31411 6.908962  -1.452286      9.851830  
1 1 1 26 17 19 o 110.3058 4.715143  126.0962       7.338103  116.4471       14.67621  135.7454       14.67621  105.9320 6.927181  114.6796 6.398785  -8.747612      9.430285  
1 1 1 26 17 20 o 59.65538 9.288581  43.08515       7.628768  40.55970       15.25754  45.61060       15.25754  57.57882 13.47436  61.73195 12.78877  -4.153130      18.57716  
1 1 1 26 18 0  o 340.9982 3.976728  1163.947       27.11286  1163.947       27.11286  1163.947       27.11286  340.9982 3.976728  340.9982 3.976728  0.000000       0.000000  
1 1 1 26 18 1  o 245.9572 1.650906  605.5698       5.737062  575.3168       11.47412  635.8228       11.47412  239.8071 2.392365  252.1072 2.275644  -12.30013      3.301813  
1 1 1 26 18 2  o 261.7342 1.741850  688.7620       6.399398  592.0706       12.79880  785.4534       12.79880  243.2629 2.630651  280.2055 2.283823  -36.94260      3.483701  
1 1 1 26 18 3  o 383.0679 2.216366  1469.203       11.99827  1533.568       23.99655  1404.837       23.99655  391.4692 3.064934  374.6665 3.202388  16.80270       4.432732  
1 1 1 26 18 4  o 203.1628 1.487691  412.9065       4.274207  408.7800       8.548413  417.0330       8.548413  202.1472 2.114403  204.1783 2.093369  -2.031113      2.975381  
1 1 1 26 18 5  o 78.71603 1.988615  62.67883       2.177606  75.64917       4.355212  49.70850       4.355212  86.95471 2.504299  70.47734 3.089796  16.47737       3.977229  
1 1 1 26 18 6  o 71.65936 2.193267  51.42390       2.220491  54.06371       4.440981  48.78409       4.440981  73.50127 3.021024  69.81744 3.180424  3.683830       4.386534  
1 1 1 26 18 7  o 188.8843 1.573591  356.9701       4.202732  364.4273       8.405463  349.5129       8.405463  190.8583 2.202016  186.9103 2.248529  3.948029       3.147182  
1 1 1 26 18 8  o 59.60443 3.102882  35.63268       2.611221  37.98660       5.222442  33.27877       5.222442  61.57904 4.240438  57.62982 4.531024  3.949219       6.205763  
1 1 1 26 18 9  o 148.8073 1.612850  221.6202       3.392681  229.1870       6.785362  214.0534       6.785362  151.3498 2.241616  146.2649 2.319546  5.084946       3.225699  
1 1 1 26 18 10 f 324.0298 2.024559  1051.036       9.277458  1048.053       18.55492  1054.018       18.55492  323.5695 2.867223  324.4901 2.859089  -0.9205627     4.049118  
1 1 1 26 18 11 o 56.97083 3.357454  32.67362       2.692226  36.32838       5.384452  29.01886       5.384452  60.17839 4.473742  53.76326 5.007557  6.415134       6.714909  
1 1 1 26 18 12 o 28.11435 6.209052  7.719304       2.849471  10.94044       5.698943  4.498162       5.698943  32.27625 8.650428  23.95245 8.909511  8.323799       12.41810  
1 1 1 26 18 13 o 164.2910 1.918802  270.7141       4.450512  289.0164       8.901024  252.4117       8.901024  169.8611 2.620090  158.7209 2.803987  11.14021       3.837605  
1 1 1 26 18 14 o 142.5196 2.033685  203.9850       4.088372  220.8483       8.176744  187.1216       8.176744  148.4357 2.754304  136.6034 2.992876  11.83229       4.067370  
1 1 1 26 18 15 o 82.13893 3.801040  68.37302       4.398098  75.26797       8.796194  61.47805       8.796194  86.33607 5.094160  77.94180 5.642796  8.394264       7.602079  
1 1 1 26 18 16 o 101.9409 3.497655  105.1731       5.041372  107.6414       10.08274  102.7048       10.08274  103.1516 4.887344  100.7303 5.004822  2.421280       6.995311  
1 1 1 26 18 17 o 68.90323 5.933920  49.27966       5.765652  45.12457       11.53130  53.43473       11.53130  65.88807 8.750677  71.91839 8.016937  -6.030319      11.86784  
1 1 1 26 18 18 o 96.38750 4.562302  95.46204       6.218328  93.89912       12.43666  97.02497       12.43666  95.57675 6.506109  97.19825 6.397572  -1.621498      9.124603  
1 1 1 26 18 19 o 75.46106 7.155410  63.59372       7.061733  42.86596       14.12347  84.32147       14.12347  61.29911 11.94634  89.62300 7.879376  -28.32389      14.31082  
1 1 1 26 18 20 o 70.20620 8.230172  56.86553       7.919433  49.56555       15.83887  64.16551       15.83887  64.48993 12.73335  75.92247 10.43095  -11.43254      16.46034  
1 1 1 26 19 0  o 101.4499 3.371146  103.3052       6.823483  103.3052       6.823483  103.3052       6.823483  101.4499 3.371146  101.4499 3.371146  0.000000       0.000000  
1 1 1 26 19 1  o 301.2324 1.836768  908.2903       7.819368  947.1965       15.63874  869.3841       15.63874  307.6903 2.541312  294.7746 2.652660  12.91571       3.673537  
1 1 1 26 19 2  o 304.5708 1.908464  928.2080       8.219628  914.5850       16.43926  941.8312       16.43926  302.3344 2.718721  306.8073 2.679085  -4.472900      3.816928  
1 1 1 26 19 3  o 174.4279 1.442323  305.3509       3.540397  340.2307       7.080793  270.4711       7.080793  184.4263 1.919681  164.4296 2.153138  19.99669       2.884646  
1 1 1 26 19 4  o 324.9749 1.990046  1056.901       9.144039  1081.694       18.28808  1032.109       18.28808  328.7893 2.781124  321.1603 2.847188  7.628998       3.980092  
1 1 1 26 19 5  o 74.06389 2.317052  55.21207       2.406326  63.47935       4.812652  46.94480       4.812652  79.64507 3.021312  68.48270 3.513772  11.16236       4.634104  
1 1 1 26 19 6  o 152.5334 1.616453  232.9324       3.483216  220.5338       6.966432  245.3309       6.966432  148.4692 2.346087  156.5976 2.224311  -8.128403      3.232907  
1 1 1 26 19 7  o 198.2491 1.704657  395.6095       4.736412  334.7128       9.472824  456.5063       9.472824  182.8904 2.589754  213.6077 2.217341  -30.71730      3.409315  
1 1 1 26 19 8  o 95.77485 1.973782  92.23614       2.654106  79.48976       5.308212  104.9825       5.308212  89.12050 2.978110  102.4292 2.591162  -13.30870      3.947563  
1 1 1 26 19 9  o 224.7507 1.720077  505.6001       5.465457  520.2810       10.93091  490.9191       10.93091  228.0168 2.396954  221.4847 2.467646  6.532104       3.440155  
1 1 1 26 19 10 o 55.73037 3.211226  31.14882       2.530216  31.99222       5.060432  30.30541       5.060432  56.48705 4.479285  54.97368 4.602595  1.513371       6.422451  
1 1 1 26 19 11 o 131.9557 1.919745  174.9280       3.564222  195.2602       7.128443  154.5957       7.128443  139.6599 2.552073  124.2515 2.868554  15.40841       3.839489  
1 1 1 26 19 12 o 75.61176 2.964699  57.97101       3.121076  69.62621       6.242152  46.31581       6.242152  83.31902 3.745935  67.90450 4.596273  15.41452       5.929398  
1 1 1 26 19 13 o 41.46188 5.964058  18.13560       3.430801  23.15791       6.861602  13.11329       6.861602  47.76546 7.182599  35.15831 9.523141  12.60714       11.92812  
1 1 1 26 19 14 o 104.3515 2.662008  109.5522       3.921597  102.1140       7.843193  116.9903       7.843193  100.7875 3.890956  107.9155 3.633952  -7.127998      5.324016  
1 1 1 26 19 15 o 159.3654 2.214463  255.1373       4.984192  239.9464       9.968384  270.3281       9.968384  154.5994 3.223941  164.1315 3.036708  -9.532074      4.428926  
1 1 1 26 19 16 f 21.33960 6.944619  -7.157033      4.903187  -11.08340      9.806375  -3.230671      9.806375  19.56240 9.282559  23.11680 10.33175  -3.554409      13.88924  
1 1 1 26 19 17 o 146.6597 3.057890  217.2221       6.342218  215.8832       12.68444  218.5611       12.68444  146.2032 4.337948  147.1161 4.311028  -0.9129639     6.115779  
1 1 1 26 19 18 o 82.30139 5.260253  70.58397       6.065848  59.92466       12.13170  81.24328       12.13170  75.82561 7.999734  88.77717 6.832666  -12.95155      10.52051  
1 1 1 26 19 19 o 32.20132 9.467179  4.722116       7.457228  -4.231322      14.91446  13.67556       14.91446  27.47960 12.48114  36.92303 14.23837  -9.443439      18.93436  
1 1 1 26 19 20 o 42.30691 15.00261  22.19538       15.95323  22.19538       15.95323  ?              ?         42.30691 15.00261  ?        ?         ?              ?         
1 1 1 26 20 0  o 74.19108 4.013169  55.55992       5.918132  55.55992       5.918132  55.55992       5.918132  74.19108 4.013169  74.19108 4.013169  0.000000       0.000000  
1 1 1 26 20 1  o 39.01795 3.629096  15.26230       2.001301  14.64762       4.002602  15.87699       4.002602  38.23025 5.234862  39.80564 5.027681  -1.575394      7.258193  
1 1 1 26 20 2  o 389.4633 2.268378  1518.072       12.49383  1522.094       24.98767  1514.051       24.98767  389.9796 3.203716  388.9469 3.212221  1.032623       4.536757  
1 1 1 26 20 3  o 382.7039 2.254697  1466.177       12.19841  1512.526       24.39681  1419.828       24.39681  388.7594 3.137778  376.6484 3.238672  12.11096       4.509395  
1 1 1 26 20 4  o 142.3791 1.503520  203.2893       3.016246  183.1762       6.032492  223.4023       6.032492  135.3159 2.229040  149.4423 2.018334  -14.12642      3.007041  
1 1 1 26 20 5  o 210.4192 1.688458  443.3787       5.017547  470.2295       10.03509  416.5279       10.03509  216.7995 2.314372  204.0389 2.459114  12.76062       3.376915  
1 1 1 26 20 6  o 212.0644 1.726961  450.5023       5.170027  419.5298       10.34005  481.4749       10.34005  204.7618 2.524898  219.3671 2.356793  -14.60524      3.453923  
1 1 1 26 20 7  o 124.3939 1.722740  154.8292       3.030541  153.4044       6.061082  156.2540       6.061082  123.8213 2.447513  124.9666 2.425081  -1.145332      3.445481  
1 1 1 26 20 8  o 187.0027 1.691572  350.1180       4.469572  367.1720       8.939144  333.0641       8.939144  191.5625 2.333218  182.4429 2.449847  9.119629       3.383143  
1 1 1 26 20 9  o 112.9512 1.803337  127.7592       2.878061  133.9442       5.756122  121.5743       5.756122  115.6891 2.487755  110.2133 2.611355  5.475792       3.606674  
1 1 1 26 20 10 o 159.0252 1.725365  253.1884       3.878712  261.4652       7.757423  244.9116       7.757423  161.6276 2.399783  156.4229 2.479633  5.204727       3.450730  
1 1 1 26 20 11 o 194.6777 1.763630  379.4371       4.855536  380.6188       9.711073  378.2554       9.711073  194.9812 2.490258  194.3743 2.498035  0.6069946      3.527261  
1 1 1 26 20 12 o 149.6548 1.874929  224.4459       3.964482  213.2910       7.928963  235.6007       7.928963  145.9279 2.716740  153.3816 2.584717  -7.453735      3.749858  
1 1 1 26 20 13 o 119.3045 2.253744  142.7737       3.802472  143.9126       7.604944  141.6349       7.604944  119.7818 3.174500  118.8272 3.200001  0.9545593      4.507489  
1 1 1 26 20 14 o 40.40359 6.332294  17.48755       3.807237  7.299983       7.614474  27.67513       7.614474  28.68813 10.34555  52.11905 7.304886  -23.43092      12.66459  
1 1 1 26 20 15 o 203.7764 2.098432  416.7280       6.046787  410.3047       12.09357  423.1512       12.09357  202.2004 2.990493  205.3525 2.944590  -3.152100      4.196863  
1 1 1 26 20 16 o 30.58162 8.204021  7.447698       4.946072  10.07321       9.892144  4.822182       9.892144  32.75695 11.79385  28.40629 11.40740  4.350662       16.40804  
1 1 1 26 20 17 o 56.02434 7.667910  34.40808       5.908603  26.20751       11.81721  42.60865       11.81721  48.29701 12.21838  63.75167 9.268153  -15.45466      15.33582  
1 1 1 26 20 18 o 85.42447 5.379132  76.82136       6.385102  61.03015       12.77020  92.61257       12.77020  76.18167 8.381416  94.66726 6.744785  -18.48559      10.75826  
1 1 1 26 20 19 o 40.17334 14.81718  18.12607       15.69592  18.12607       15.69592  ?              ?         40.17334 14.81718  ?        ?         ?              ?         
1 1 1 26 20 20 o 31.14735 13.47466  5.403512       15.41955  5.403512       15.41955  ?              ?         31.14735 13.47466  ?        ?         ?              ?         
1 1 1 26 21 0  o 163.4797 2.797062  267.5739       9.139274  267.5739       9.139274  267.5739       9.139274  163.4797 2.797062  163.4797 2.797062  0.000000       0.000000  
1 1 1 26 21 1  o 179.4291 1.566435  322.1189       3.974012  314.4997       7.948023  329.7381       7.948023  177.3059 2.241330  181.5523 2.188907  -4.246368      3.132870  
1 1 1 26 21 2  o 74.35375 2.179456  55.78388       2.263376  45.71543       4.526752  65.85233       4.526752  67.58311 3.349026  81.12439 2.790007  -13.54128      4.358912  
1 1 1 26 21 3  o 189.2067 1.483603  358.4377       3.964482  337.0190       7.928963  379.8564       7.928963  183.5466 2.159932  194.8669 2.034456  -11.32025      2.967207  
1 1 1 26 21 4  o 264.8050 1.842504  701.9563       6.894957  670.9790       13.78991  732.9335       13.78991  258.9559 2.662599  270.6540 2.547517  -11.69812      3.685007  
1 1 1 26 21 5  o 114.4789 2.041883  131.2520       3.302146  138.3280       6.604293  124.1759       6.604293  117.5694 2.808678  111.3884 2.964535  6.181091       4.083765  
1 1 1 26 21 6  o 230.9486 1.682664  535.0144       5.474988  481.4272       10.94998  588.6016       10.94998  219.3470 2.496039  242.5501 2.257260  -23.20308      3.365328  
1 1 1 26 21 7  o 132.9085 1.653303  177.3105       3.092486  197.4236       6.184973  157.1974       6.184973  140.4750 2.201449  125.3420 2.467239  15.13303       3.306607  
1 1 1 26 21 8  o 113.7963 1.877207  129.7462       3.016246  138.1660       6.032492  121.3265       6.032492  117.4958 2.567109  110.0968 2.739630  7.398979       3.754414  
1 1 1 26 21 9  o 193.2119 1.698626  373.6048       4.641112  378.2078       9.282224  369.0017       9.282224  194.4031 2.387365  192.0208 2.416984  2.382339       3.397253  
1 1 1 26 21 10 f 241.5138 1.771423  584.4180       6.042023  549.1093       12.08405  619.7266       12.08405  234.2039 2.579813  248.8236 2.428235  -14.61972      3.542846  
1 1 1 26 21 11 o 85.44109 2.777453  73.53351       3.335501  64.19411       6.671002  82.87290       6.671002  79.97569 4.170644  90.90649 3.669156  -10.93080      5.554906  
1 1 1 26 21 12 o 95.71509 2.708791  92.07890       3.659522  85.47461       7.319043  98.68319       7.319043  92.26511 3.966311  99.16506 3.690334  -6.899948      5.417582  
1 1 1 26 21 13 o 60.57109 4.564255  37.81506       3.802472  47.79297       7.604944  27.83714       7.604944  68.80762 5.526237  52.33456 7.265700  16.47306       9.128510  
1 1 1 26 21 14 o 177.5761 2.032882  316.3819       5.103317  306.5230       10.20663  326.2406       10.20663  174.8002 2.919515  180.3520 2.829642  -5.551865      4.065765  
1 1 1 26 21 15 o 131.4420 2.650733  173.8987       4.927012  171.4924       9.854024  176.3051       9.854024  130.5267 3.774716  132.3574 3.722506  -1.830719      5.301465  
1 1 1 26 21 16 o 110.4485 3.391897  123.8090       5.270092  109.3187       10.54018  138.2994       10.54018  103.8887 5.072825  117.0083 4.504033  -13.11958      6.783794  
1 1 1 26 21 17 o 165.7285 2.886983  277.5423       6.766303  276.0175       13.53261  279.0671       13.53261  165.2685 4.094128  166.1885 4.071462  -0.9200592     5.773966  
1 1 1 26 21 18 o 30.25202 8.380680  0.2287197      6.332687  -17.31602      12.66537  17.77346       12.66537  20.79210 10.04644  39.71193 13.41687  -18.91983      16.76136  
1 1 1 26 21 19 o 37.48713 14.51899  14.83822       15.54344  14.83822       15.54344  ?              ?         37.48713 14.51899  ?        ?         ?              ?         
1 1 1 26 22 0  o 272.0325 3.723776  740.8434       20.25126  740.8434       20.25126  740.8434       20.25126  272.0325 3.723776  272.0325 3.723776  0.000000       0.000000  
1 1 1 26 22 1  o 311.7236 1.960233  972.5131       8.638948  944.8904       17.27790  1000.136       17.27790  307.2930 2.811307  316.1543 2.732511  -8.861267      3.920467  
1 1 1 26 22 2  o 101.3131 1.736039  102.6953       2.487331  103.3529       4.974662  102.0377       4.974662  101.6376 2.447254  100.9886 2.462982  0.6490479      3.472079  
1 1 1 26 22 3  f 369.8622 2.235366  1369.462       11.68855  1328.931       23.37710  1409.993       23.37710  364.3830 3.207765  375.3415 3.114111  -10.95847      4.470732  
1 1 1 26 22 4  o 109.6165 1.719288  121.1359       2.635046  142.0733       5.270092  100.1985       5.270092  119.1668 2.211225  100.0662 2.633303  19.10062       3.438576  
1 1 1 26 22 5  o 265.9620 2.021919  707.9364       7.604944  705.2775       15.20989  710.5952       15.20989  265.4622 2.864794  266.4619 2.854046  -0.9996948     4.043838  
1 1 1 26 22 6  o 121.0012 1.730001  147.0098       2.944771  164.4021       5.889543  129.6176       5.889543  128.1880 2.297228  113.8144 2.587345  14.37363       3.460001  
1 1 1 26 22 7  o 158.4452 1.722726  251.2443       3.859652  246.3411       7.719304  256.1475       7.719304  156.8979 2.459977  159.9925 2.412396  -3.094559      3.445452  
1 1 1 26 22 8  o 136.3973 1.809764  186.4688       3.483216  172.1691       6.966432  200.7686       6.966432  131.1553 2.655794  141.6393 2.459217  -10.48392      3.619529  
1 1 1 26 22 9  o 168.9643 1.762256  286.3480       4.197967  260.4550       8.395933  312.2411       8.395933  161.3021 2.602550  176.6266 2.376746  -15.32454      3.524513  
1 1 1 26 22 10 o 52.41927 3.919138  27.71325       2.892356  24.71130       5.784712  30.71520       5.784712  49.55587 5.836556  55.28268 5.231939  -5.726807      7.838277  
1 1 1 26 22 11 f 138.8523 1.983776  193.2018       3.893007  185.2728       7.786013  201.1307       7.786013  135.9971 2.862566  141.7074 2.747214  -5.710358      3.967552  
1 1 1 26 22 12 o 41.38588 6.018244  18.40244       3.487981  26.66495       6.975962  10.13992       6.975962  51.28112 6.801686  31.49063 9.930464  19.79050       12.03649  
1 1 1 26 22 13 o 98.99257 2.827352  99.92209       3.873947  76.47828       7.747893  123.3659       7.747893  87.15137 4.445078  110.8338 3.495276  -23.68240      5.654704  
1 1 1 26 22 14 o 75.52120 4.074651  57.96148       4.326622  65.06134       8.653244  50.86163       8.653244  80.22177 5.393326  70.82063 6.109268  9.401138       8.149302  
1 1 1 26 22 15 o 69.10301 4.395216  48.69355       4.293266  50.38514       8.586533  47.00198       8.586533  70.32697 6.104723  67.87906 6.324876  2.447914       8.790432  
1 1 1 26 22 16 o 33.00835 8.120092  9.286988       5.084257  17.55427       10.16851  1.019710       10.16851  40.01332 11.86663  26.00338 11.08723  14.00994       16.24018  
1 1 1 26 22 17 o 55.17968 7.686405  34.36043       5.837128  20.60387       11.67426  48.11699       11.67426  42.63448 12.72942  67.72488 8.618882  -25.09039      15.37281  
1 1 1 26 22 18 o 76.05437 6.311243  61.97838       6.694828  50.87116       13.38966  73.08560       13.38966  68.75221 9.737618  83.35653 8.031558  -14.60432      12.62249  
1 1 1 26 22 19 o 37.03064 14.39741  14.46655       15.31472  14.46655       15.31472  ?              ?         37.03064 14.39741  ?        ?         ?              ?         
1 1 1 26 23 0  o 495.5701 5.520658  2460.104       54.70222  2460.104       54.70222  2460.104       54.70222  495.5701 5.520658  495.5701 5.520658  0.000000       0.000000  
1 1 1 26 23 1  o 183.5365 1.555967  337.1525       4.035956  322.9051       8.071913  351.3998       8.071913  179.6552 2.246502  187.4179 2.153454  -7.762695      3.111934  
1 1 1 26 23 2  o 124.1678 1.601413  154.2765       2.811351  158.3220       5.622702  150.2310       5.622702  125.7968 2.234835  122.5387 2.294255  3.258087       3.202826  
1 1 1 26 23 3  o 74.67156 2.356173  55.90300       2.482566  60.22010       4.965132  51.58591       4.965132  77.56229 3.200738  71.78084 3.458536  5.781448       4.712345  
1 1 1 26 23 4  o 87.67795 2.121793  76.95478       2.630281  78.91795       5.260562  74.99161       5.260562  88.79749 2.962112  86.55840 3.038736  2.239082       4.243586  
1 1 1 26 23 5  o 87.56003 2.220457  76.74035       2.749406  75.80165       5.498813  77.67906       5.498813  87.02399 3.159365  88.09606 3.120918  -1.072067      4.440915  
1 1 1 26 23 6  o 65.53001 3.024336  44.61948       2.649341  28.03727       5.298682  61.20169       5.298682  52.87763 5.010325  78.18238 3.388668  -25.30475      6.048671  
1 1 1 26 23 7  o 38.47565 5.446713  15.45290       2.897121  19.91771       5.794242  10.98809       5.794242  44.50967 6.508971  32.44163 8.734989  12.06804       10.89343  
1 1 1 26 23 8  f 121.9906 1.970242  149.0254       3.397446  143.7029       6.794893  154.3479       6.794893  119.8091 2.835717  124.1721 2.736078  -4.363052      3.940484  
1 1 1 26 23 9  o 189.3322 1.829513  359.1049       4.893657  377.7693       9.787313  340.4403       9.787313  194.2613 2.519111  184.4032 2.653781  9.858078       3.659026  
1 1 1 26 23 10 o 212.0580 1.769169  450.3975       5.303447  465.3692       10.60689  435.4259       10.60689  215.5880 2.459991  208.5279 2.543280  7.060165       3.538337  
1 1 1 26 23 11 o 112.0951 2.404307  126.1010       3.807237  119.2680       7.614474  132.9340       7.614474  109.0472 3.491365  115.1430 3.306530  -6.095741      4.808615  
1 1 1 26 23 12 f 248.7792 1.944409  621.0704       6.828248  664.6415       13.65650  577.4991       13.65650  257.5362 2.651374  240.0222 2.844840  17.51399       3.888817  
1 1 1 26 23 13 o 82.60667 3.301468  68.79234       3.854887  66.25259       7.709774  71.33208       7.709774  81.06942 4.755044  84.14393 4.581301  -3.074509      6.602936  
1 1 1 26 23 14 o 74.65120 3.849191  56.47004       4.055017  52.26254       8.110033  60.67754       8.110033  71.83309 5.645054  77.46930 5.234353  -5.636208      7.698382  
1 1 1 26 23 15 o 46.51941 6.939971  23.52481       4.536282  31.95410       9.072563  15.09553       9.072563  55.63707 8.153345  37.40175 11.23280  18.23531       13.87994  
1 1 1 26 23 16 o 60.44180 6.459564  38.24867       5.508343  35.33725       11.01669  41.16008       11.01669  58.03335 9.491684  62.85024 8.764235  -4.816895      12.91913  
1 1 1 26 23 17 o 41.05309 8.539606  18.83129       5.474988  24.86378       10.94998  12.79880       10.94998  46.85647 11.70611  35.24972 12.43649  11.60675       17.07921  
1 1 1 26 23 18 o 108.3649 4.327337  121.4218       6.628118  116.9713       13.25624  125.8723       13.25624  106.3114 6.234627  110.4184 6.002732  -4.106972      8.654674  
1 1 1 26 23 19 o 42.79233 15.19213  22.87201       16.36302  22.87201       16.36302  ?              ?         42.79233 15.19213  ?        ?         ?              ?         
1 1 1 26 24 0  o 14.27271 9.382751  -0.6194503     6.508993  -0.6194503     6.508993  -0.6194503     6.508993  14.27271 9.382751  14.27271 9.382751  0.000000       0.000000  
1 1 1 26 24 1  o 98.42725 1.947205  97.95892       2.668401  78.19368       5.336802  117.7241       5.336802  88.38673 3.019006  108.4678 2.460086  -20.08105      3.894409  
1 1 1 26 24 2  o 320.2838 2.050704  1026.796       9.286988  1004.348       18.57398  1049.244       18.57398  316.7794 2.931690  323.7881 2.868230  -7.008759      4.101408  
1 1 1 26 24 3  o 156.0275 1.606011  244.5923       3.521337  276.2558       7.042673  212.9289       7.042673  166.1742 2.119063  145.8807 2.413846  20.29350       3.212021  
1 1 1 26 24 4  o 310.5773 1.985458  966.0423       8.710423  912.2787       17.42085  1019.806       17.42085  301.9219 2.884993  319.2327 2.728550  -17.31082      3.970915  
1 1 1 26 24 5  o 219.9223 1.773517  484.4339       5.508343  455.1149       11.01669  513.7529       11.01669  213.2565 2.582966  226.5880 2.430994  -13.33154      3.547033  
1 1 1 26 24 6  o 227.5555 1.720754  518.2464       5.536932  509.0070       11.07386  527.4857       11.07386  225.5254 2.455126  229.5856 2.411707  -4.060257      3.441507  
1 1 1 26 24 7  o 117.6165 2.062607  138.4900       3.430801  139.1952       6.861602  137.7848       6.861602  117.9163 2.909523  117.3167 2.924392  0.5995789      4.125215  
1 1 1 26 24 8  o 194.4112 1.765118  378.4460       4.850772  391.6641       9.701544  365.2279       9.701544  197.8107 2.452229  191.0117 2.539516  6.799042       3.530236  
1 1 1 26 24 9  o 113.2356 2.155955  128.7503       3.440331  116.2946       6.880662  141.2061       6.880662  107.7357 3.193307  118.7355 2.897475  -10.99983      4.311911  
1 1 1 26 24 10 o 150.1491 1.955970  225.9230       4.150317  235.8962       8.300633  215.9499       8.300633  153.4702 2.704314  146.8281 2.826651  6.642166       3.911939  
1 1 1 26 24 11 o 113.4533 2.415581  129.4127       3.864417  118.0482       7.728833  140.7772       7.728833  108.4449 3.563485  118.4618 3.262163  -10.01691      4.831163  
1 1 1 26 24 12 o 69.78564 4.026324  49.42260       3.950187  43.30434       7.900373  55.54086       7.900373  65.40203 6.039854  74.16925 5.325909  -8.767220      8.052648  
1 1 1 26 24 13 o 61.46062 4.698766  38.94436       3.993072  29.69549       7.986144  48.19323       7.986144  53.93639 7.403298  68.98484 5.788332  -15.04845      9.397532  
1 1 1 26 24 14 o 96.36904 3.504053  94.33275       4.745942  82.37736       9.491883  106.2881       9.491883  90.16612 5.263553  102.5720 4.626939  -12.40584      7.008106  
1 1 1 26 24 15 o 36.14664 8.245644  13.81374       4.793592  14.36172       9.587184  13.26577       9.587184  36.69527 11.64906  35.59801 11.67313  1.097267       16.49129  
1 1 1 26 24 16 o 159.5265 2.738873  257.2005       6.165912  238.0500       12.33182  276.3510       12.33182  153.5242 4.016248  165.5288 3.724978  -12.00464      5.477746  
1 1 1 26 24 17 o 120.5786 3.610968  148.4107       6.156383  151.6986       12.31277  145.1229       12.31277  121.9420 5.048617  119.2152 5.164091  2.726738       7.221937  
1 1 1 26 24 18 o 133.7158 3.896020  184.1578       7.347633  199.3200       14.69527  168.9956       14.69527  139.3854 5.271451  128.0462 5.738265  11.33914       7.792039  
1 1 1 26 24 19 o 48.77438 14.45718  31.86833       15.09553  31.86833       15.09553  ?              ?         48.77438 14.45718  ?        ?         ?              ?         
1 1 1 26 25 0  o 320.1049 3.913287  1025.857       25.04485  1025.857       25.04485  1025.857       25.04485  320.1049 3.913287  320.1049 3.913287  0.000000       0.000000  
1 1 1 26 25 1  o 162.6926 1.549187  264.8150       3.564222  261.7511       7.128443  267.8789       7.128443  161.7510 2.203524  163.6342 2.178164  -1.883255      3.098373  
1 1 1 26 25 2  o 36.64568 4.721765  15.05264       2.444446  3.163961       4.888892  26.94132       4.888892  21.44001 8.182624  51.85136 4.714333  -30.41136      9.443530  
1 1 1 26 25 3  o 98.24680 2.076394  96.86771       2.873296  106.9076       5.746593  86.82786       5.746593  103.3563 2.779991  93.13728 3.085012  10.21902       4.152788  
1 1 1 26 25 4  o 236.3106 1.779047  559.3493       5.937192  525.3319       11.87438  593.3666       11.87438  229.1130 2.591382  243.5082 2.438190  -14.39517      3.558094  
1 1 1 26 25 5  o 115.5491 2.166606  133.6774       3.540397  134.6971       7.080793  132.6577       7.080793  115.9903 3.052321  115.1078 3.075722  0.8824997      4.333212  
1 1 1 26 25 6  o 275.1960 1.923812  758.4549       7.481052  793.9065       14.96210  723.0032       14.96210  281.6372 2.656273  268.7548 2.783598  12.88235       3.847623  
1 1 1 26 25 7  o 413.0966 2.448009  1710.169       14.29501  1769.264       28.59001  1651.073       28.59001  420.2494 3.401553  405.9439 3.521424  14.30548       4.896018  
1 1 1 26 25 8  o 143.7498 1.980602  207.2490       4.016897  190.8288       8.033793  223.6692       8.033793  138.0384 2.909986  149.4612 2.687586  -11.42278      3.961204  
1 1 1 26 25 9  o 123.0860 2.100997  152.1132       3.645226  166.2795       7.290452  137.9468       7.290452  128.8406 2.829252  117.3313 3.106781  11.50932       4.201994  
1 1 1 26 25 10 o 111.9305 2.348031  125.6340       3.716702  124.6810       7.433403  126.5870       7.433403  111.5048 3.333222  112.3562 3.307963  -0.8514252     4.696061  
1 1 1 26 25 11 o 61.22352 4.238373  38.78235       3.535631  26.99850       7.071262  50.56620       7.071262  51.59989 6.852014  70.84715 4.990506  -19.24726      8.476747  
1 1 1 26 25 12 o 210.7933 1.991718  445.5944       5.937192  450.3118       11.87438  440.8770       11.87438  211.9122 2.801723  209.6743 2.831626  2.237885       3.983435  
1 1 1 26 25 13 o 48.43583 6.517873  26.21704       4.355212  41.84624       8.710423  10.58783       8.710423  64.12370 6.791892  32.74796 11.12658  31.37574       13.03575  
1 1 1 26 25 14 o 54.35519 6.268469  31.19647       4.683997  34.80357       9.367994  27.58936       9.367994  58.06522 8.066787  50.64515 9.596968  7.420063       12.53694  
1 1 1 26 25 15 o 106.6195 3.530255  115.8277       5.274857  133.5154       10.54971  98.13998       10.54971  114.9142 4.590256  98.32468 5.364733  16.58955       7.060511  
1 1 1 26 25 16 o 31.14108 8.411469  8.267279       5.165262  7.061733       10.33052  9.472824       10.33052  30.15633 11.80415  32.12584 11.98638  -1.969513      16.82294  
1 1 1 26 25 17 o 112.8526 4.021986  131.3044       6.361277  111.5487       12.72255  151.0601       12.72255  104.0997 6.110754  121.6055 5.231078  -17.50575      8.043972  
1 1 1 26 25 18 o 25.55514 11.94866  -8.958203      15.10505  -8.958203      15.10505  ?              ?         25.55514 11.94866  ?        ?         ?              ?         
1 1 1 26 26 0  o 132.3765 5.259006  176.1907       13.87568  176.1907       13.87568  176.1907       13.87568  132.3765 5.259006  132.3765 5.259006  0.000000       0.000000  
1 1 1 26 26 1  o 140.1204 3.142314  196.7374       8.796194  196.7374       8.796194  196.7374       8.796194  140.1204 3.142314  140.1204 3.142314  0.000000       0.000000  
1 1 1 26 26 2  o 267.7141 3.268961  717.4664       17.49709  717.4664       17.49709  717.4664       17.49709  267.7141 3.268961  267.7141 3.268961  0.000000       0.000000  
1 1 1 26 26 3  o 114.5918 4.308733  132.0191       9.844495  132.0191       9.844495  132.0191       9.844495  114.5918 4.308733  114.5918 4.308733  0.000000       0.000000  
1 1 1 26 26 4  o 70.79107 5.908644  51.26189       8.252983  51.26189       8.252983  51.26189       8.252983  70.79107 5.908644  70.79107 5.908644  0.000000       0.000000  
1 1 1 26 26 5  o 92.65919 5.517409  86.93269       10.14945  86.93269       10.14945  86.93269       10.14945  92.65919 5.517409  92.65919 5.517409  0.000000       0.000000  
1 1 1 26 26 6  o 292.4370 4.031250  856.7474       23.56770  856.7474       23.56770  856.7474       23.56770  292.4370 4.031250  292.4370 4.031250  0.000000       0.000000  
1 1 1 26 26 7  o 50.92157 10.56167  29.19993       9.491883  29.19993       9.491883  29.19993       9.491883  50.92157 10.56167  50.92157 10.56167  0.000000       0.000000  
1 1 1 26 26 8  o 123.8730 4.808720  154.5004       11.87438  154.5004       11.87438  154.5004       11.87438  123.8730 4.808720  123.8730 4.808720  0.000000       0.000000  
1 1 1 26 26 9  o 92.82621 5.711804  87.44731       10.52112  87.44731       10.52112  87.44731       10.52112  92.82621 5.711804  92.82621 5.711804  0.000000       0.000000  
1 1 1 26 26 10 o 107.9603 5.086623  117.7813       10.93091  117.7813       10.93091  117.7813       10.93091  107.9603 5.086623  107.9603 5.086623  0.000000       0.000000  
1 1 1 26 26 11 o 68.43173 8.367532  49.43213       11.16916  49.43213       11.16916  49.43213       11.16916  68.43173 8.367532  68.43173 8.367532  0.000000       0.000000  
1 1 1 26 26 12 o 144.5550 4.439478  210.3272       12.80832  210.3272       12.80832  210.3272       12.80832  144.5550 4.439478  144.5550 4.439478  0.000000       0.000000  
1 1 1 26 26 13 o 31.19390 16.24563  15.21942       13.05611  15.21942       13.05611  15.21942       13.05611  31.19390 16.24563  31.19390 16.24563  0.000000       0.000000  
1 1 1 26 26 14 o 70.76496 9.639346  52.45314       13.42777  52.45314       13.42777  52.45314       13.42777  70.76496 9.639346  70.76496 9.639346  0.000000       0.000000  
1 1 1 26 26 15 o 39.20430 17.98779  24.08232       15.31472  24.08232       15.31472  24.08232       15.31472  39.20430 17.98779  39.20430 17.98779  0.000000       0.000000  
1 1 1 26 26 16 o 27.63755 16.54911  10.47347       15.95323  10.47347       15.95323  10.47347       15.95323  27.63755 16.54911  27.63755 16.54911  0.000000       0.000000  
1 1 1 26 26 17 o 30.94342 18.28658  15.20036       19.06001  15.20036       19.06001  15.20036       19.06001  30.94342 18.28658  30.94342 18.28658  0.000000       0.000000  
1 1 1 27 0  1  o 110.8886 2.042673  123.0991       4.526752  123.0991       4.526752  123.0991       4.526752  110.8886 2.042673  110.8886 2.042673  0.000000       0.000000  
1 1 1 27 0  2  o 133.7138 2.107248  178.9449       5.632232  178.9449       5.632232  178.9449       5.632232  133.7138 2.107248  133.7138 2.107248  0.000000       0.000000  
1 1 1 27 0  3  o 61.28658 2.591290  37.76740       3.163961  37.76740       3.163961  37.76740       3.163961  61.28658 2.591290  61.28658 2.591290  0.000000       0.000000  
1 1 1 27 0  4  o 492.1411 6.167788  2425.386       60.68706  2425.386       60.68706  2425.386       60.68706  492.1411 6.167788  492.1411 6.167788  0.000000       0.000000  
1 1 1 27 0  5  o 285.0119 3.942264  813.1094       22.46222  813.1094       22.46222  813.1094       22.46222  285.0119 3.942264  285.0119 3.942264  0.000000       0.000000  
1 1 1 27 0  6  f 71.55172 4.266975  51.76698       6.061082  51.76698       6.061082  51.76698       6.061082  71.55172 4.266975  71.55172 4.266975  0.000000       0.000000  
1 1 1 27 0  7  o 380.3437 5.551364  1448.923       42.20839  1448.923       42.20839  1448.923       42.20839  380.3437 5.551364  380.3437 5.551364  0.000000       0.000000  
1 1 1 27 0  8  o 14.01299 9.081747  0.8577003E-01  5.841892  0.8577003E-01  5.841892  0.8577003E-01  5.841892  14.01299 9.081747  14.01299 9.081747  0.000000       0.000000  
1 1 1 27 0  9  o 88.91441 4.630023  79.76614       8.186274  79.76614       8.186274  79.76614       8.186274  88.91441 4.630023  88.91441 4.630023  0.000000       0.000000  
1 1 1 27 0  10 o 224.3779 3.742074  504.1563       16.78234  504.1563       16.78234  504.1563       16.78234  224.3779 3.742074  224.3779 3.742074  0.000000       0.000000  
1 1 1 27 0  11 o 181.1598 3.256000  328.6803       11.78861  328.6803       11.78861  328.6803       11.78861  181.1598 3.256000  181.1598 3.256000  0.000000       0.000000  
1 1 1 27 0  12 o 53.74713 5.149567  29.71455       5.441632  29.71455       5.441632  29.71455       5.441632  53.74713 5.149567  53.74713 5.149567  0.000000       0.000000  
1 1 1 27 0  13 o 12.77865 8.525931  -1.362790      5.698943  -1.362790      5.698943  -1.362790      5.698943  12.77865 8.525931  12.77865 8.525931  0.000000       0.000000  
1 1 1 27 0  14 o 272.8933 3.872860  746.1230       21.12802  746.1230       21.12802  746.1230       21.12802  272.8933 3.872860  272.8933 3.872860  0.000000       0.000000  
1 1 1 27 0  15 o 71.20138 6.513554  52.18630       9.129744  52.18630       9.129744  52.18630       9.129744  71.20138 6.513554  71.20138 6.513554  0.000000       0.000000  
1 1 1 27 0  16 o 153.6454 4.436820  237.3543       13.60885  237.3543       13.60885  237.3543       13.60885  153.6454 4.436820  153.6454 4.436820  0.000000       0.000000  
1 1 1 27 0  17 o 14.49096 10.30716  -12.89410      11.76956  -12.89410      11.76956  -12.89410      11.76956  14.49096 10.30716  14.49096 10.30716  0.000000       0.000000  
1 1 1 27 0  18 o 83.92642 8.182188  73.57163       13.49448  73.57163       13.49448  73.57163       13.49448  83.92642 8.182188  83.92642 8.182188  0.000000       0.000000  
1 1 1 27 0  19 o 17.74759 12.43074  -12.30324      15.61968  -12.30324      15.61968  -12.30324      15.61968  17.74759 12.43074  17.74759 12.43074  0.000000       0.000000  
1 1 1 27 0  20 o 24.41374 15.82292  2.839941       17.73534  2.839941       17.73534  2.839941       17.73534  24.41374 15.82292  24.41374 15.82292  0.000000       0.000000  
1 1 1 27 0  21 o 96.69052 11.60376  102.8859       21.89995  102.8859       21.89995  102.8859       21.89995  96.69052 11.60376  96.69052 11.60376  0.000000       0.000000  
1 1 1 27 1  0  o 80.68225 2.360908  65.27100       3.802472  65.27100       3.802472  65.27100       3.802472  80.68225 2.360908  80.68225 2.360908  0.000000       0.000000  
1 1 1 27 1  1  o 372.7054 2.144627  1391.323       11.28353  1294.727       22.56705  1487.919       22.56705  359.7466 3.136520  385.6642 2.925739  -25.91754      4.289254  
1 1 1 27 1  2  o 234.8386 1.476370  551.6014       4.903187  550.0909       9.806375  553.1119       9.806375  234.5170 2.090760  235.1602 2.085042  -0.6432190     2.952740  
1 1 1 27 1  3  o 201.1047 1.269530  404.7535       3.607106  425.3240       7.214212  384.1831       7.214212  206.2191 1.749162  195.9903 1.840451  10.22878       2.539061  
1 1 1 27 1  4  o 181.7971 1.873278  331.6489       4.793592  294.6391       9.587184  368.6587       9.587184  171.6183 2.793171  191.9760 2.496974  -20.35773      3.746556  
1 1 1 27 1  5  o 168.3191 1.544117  283.4747       3.673816  273.2729       7.347633  293.6766       7.347633  165.2886 2.222668  171.3496 2.144047  -6.061035      3.088234  
1 1 1 27 1  6  o 179.0865 1.512537  321.3184       3.821531  347.0255       7.643063  295.6112       7.643063  186.2638 2.051677  171.9092 2.222994  14.35461       3.025075  
1 1 1 27 1  7  o 125.9865 1.608898  160.1184       2.830411  130.9232       5.660822  189.3135       5.660822  114.3998 2.474140  137.5731 2.057388  -23.17326      3.217796  
1 1 1 27 1  8  o 345.4235 2.407416  1194.209       11.76003  1184.999       23.52005  1203.420       23.52005  344.0902 3.417715  346.7567 3.391434  -2.666504      4.814831  
1 1 1 27 1  9  o 255.8336 1.942590  655.1973       7.023612  627.4364       14.04722  682.9581       14.04722  250.4080 2.804868  261.2591 2.688370  -10.85115      3.885179  
1 1 1 27 1  10 o 191.8781 1.929806  368.6110       5.231973  386.5941       10.46395  350.6279       10.46395  196.5642 2.661712  187.1920 2.794976  9.372177       3.859611  
1 1 1 27 1  11 o 154.0615 1.572680  237.4877       3.426036  241.9382       6.852073  233.0372       6.852073  155.5059 2.203156  152.6171 2.244858  2.888794       3.145359  
1 1 1 27 1  12 o 208.8053 1.570096  436.8221       4.626817  404.4057       9.253633  469.2383       9.253633  201.0430 2.301407  216.5676 2.136431  -15.52464      3.140192  
1 1 1 27 1  13 o 59.72028 2.817045  35.75181       2.377736  34.30801       4.755472  37.19561       4.755472  58.51148 4.063709  60.92908 3.902465  -2.417603      5.634089  
1 1 1 27 1  14 o 161.1183 1.794449  259.8975       4.088372  255.7948       8.176744  264.0002       8.176744  159.8452 2.557708  162.3915 2.517602  -2.546371      3.588898  
1 1 1 27 1  15 f 97.65134 2.470755  95.61929       3.411741  94.00397       6.823483  97.23463       6.823483  96.82425 3.523644  98.47844 3.464455  -1.654190      4.941509  
1 1 1 27 1  16 o 113.0291 2.401111  128.8790       3.807237  147.6198       7.614474  110.1383       7.614474  121.3194 3.138194  104.7389 3.634979  16.58046       4.802222  
1 1 1 27 1  17 o 189.5219 2.193047  360.7917       5.870482  381.6385       11.74096  339.9448       11.74096  195.0218 3.010167  184.0221 3.190097  10.99973       4.386094  
1 1 1 27 1  18 f 70.66823 4.906216  51.39055       4.865067  58.60000       9.730133  44.18110       9.730133  75.76914 6.420908  65.56732 7.419957  10.20182       9.812432  
1 1 1 27 1  19 o 38.79080 8.763872  16.15336       5.474988  13.37060       10.94998  18.93612       10.94998  36.16000 12.46724  41.42160 12.32029  -5.261600      17.52774  
1 1 1 27 1  20 f 63.31105 6.763773  42.62294       6.046787  40.07367       12.09357  45.17222       12.09357  61.29776 9.864614  65.32435 9.256560  -4.026592      13.52755  
1 1 1 27 1  21 o 29.88570 9.332745  0.2096600      7.757423  -1.810701      15.51485  2.230021       15.51485  28.97559 12.97169  30.79581 13.42146  -1.820229      18.66549  
1 1 1 27 1  22 f 58.86835 9.266798  44.48606       7.557293  52.25301       15.11459  36.71910       15.11459  65.28007 12.02776  52.45662 14.10061  12.82344       18.53360  
1 1 1 27 2  0  o 56.48691 2.892617  32.16376       3.249731  32.16376       3.249731  32.16376       3.249731  56.48691 2.892617  56.48691 2.892617  0.000000       0.000000  
1 1 1 27 2  1  o 319.6416 1.824778  1022.050       8.248219  1035.511       16.49644  1008.589       16.49644  321.7473 2.563571  317.5359 2.597570  4.211334       3.649557  
1 1 1 27 2  2  o 358.2872 2.017602  1285.550       10.20663  1369.652       20.41327  1201.448       20.41327  370.0239 2.758372  346.5505 2.945208  23.47342       4.035203  
1 1 1 27 2  3  o 218.8731 1.367434  479.2401       4.231322  465.3024       8.462644  493.1777       8.462644  215.6892 1.961768  222.0571 1.905511  -6.367920      2.734869  
1 1 1 27 2  4  o 272.5438 1.906676  743.1545       7.347633  759.6843       14.69527  726.6247       14.69527  275.5763 2.666279  269.5113 2.726280  6.065002       3.813351  
1 1 1 27 2  5  o 208.8166 1.611365  436.9317       4.745942  400.2697       9.491883  473.5936       9.491883  200.0381 2.372519  217.5951 2.181088  -17.55701      3.222730  
1 1 1 27 2  6  o 164.1427 1.543731  270.7093       3.559456  306.7994       7.118913  234.6191       7.118913  175.1362 2.032393  153.1491 2.324176  21.98706       3.087462  
1 1 1 27 2  7  o 84.20198 1.920889  70.93658       2.287201  69.89305       4.574402  71.98011       4.574402  83.58231 2.736465  84.82164 2.696483  -1.239326      3.841779  
1 1 1 27 2  8  o 134.6832 1.841444  181.4989       3.507041  184.5485       7.014082  178.4493       7.014082  135.8153 2.582214  133.5510 2.625994  2.264267       3.682889  
1 1 1 27 2  9  o 191.3348 1.699593  366.2952       4.598227  359.0620       9.196454  373.5285       9.196454  189.4446 2.427215  193.2250 2.379727  -3.780441      3.399187  
1 1 1 27 2  10 o 125.6710 2.036041  158.0932       3.616637  152.1370       7.233273  164.0495       7.233273  123.3012 2.933172  128.0408 2.824598  -4.739563      4.072082  
1 1 1 27 2  11 o 118.0061 1.453169  139.4859       2.420621  129.6748       4.841242  149.2970       4.841242  113.8490 2.126168  122.1631 1.981467  -8.314095      2.906338  
1 1 1 27 2  12 o 369.9714 2.297731  1370.319       12.02210  1365.583       24.04420  1375.056       24.04420  369.3313 3.255099  370.6115 3.243855  -1.280212      4.595461  
1 1 1 27 2  13 o 86.45634 2.020075  74.85818       2.468271  71.72281       4.936542  77.99355       4.936542  84.64307 2.916093  88.26961 2.796286  -3.626541      4.040151  
1 1 1 27 2  14 o 205.1495 1.793507  422.3650       5.184323  380.7046       10.36865  464.0254       10.36865  194.9958 2.658684  215.3032 2.407917  -20.30734      3.587013  
1 1 1 27 2  15 o 87.22568 2.645601  76.53069       3.249731  68.45401       6.499463  84.60737       6.499463  82.59592 3.934494  91.85543 3.537876  -9.259514      5.291201  
1 1 1 27 2  16 o 112.0267 2.589321  126.0962       4.097902  119.4205       8.195804  132.7720       8.195804  109.0472 3.757917  115.0062 3.563199  -5.959084      5.178642  
1 1 1 27 2  17 o 192.0131 2.205741  370.0500       5.989607  368.7444       11.97921  371.3557       11.97921  191.6731 3.124907  192.3531 3.113861  -0.6799622     4.411482  
1 1 1 27 2  18 o 78.96466 4.621171  63.69378       5.160498  63.25064       10.32100  64.13692       10.32100  78.68406 6.558504  79.24525 6.512059  -0.5611954     9.242342  
1 1 1 27 2  19 o 40.99580 8.095540  18.49297       4.955602  14.24736       9.911204  22.73859       9.911204  36.60665 11.86695  45.38496 11.01484  -8.778316      16.19108  
1 1 1 27 2  20 o 33.30590 9.091165  8.867668       6.251682  3.507041       12.50336  14.22830       12.50336  29.54669 12.43223  37.06511 13.26788  -7.518415      18.18233  
1 1 1 27 2  21 o 39.49165 14.53440  17.36367       15.09553  17.36367       15.09553  ?              ?         39.49165 14.53440  ?        ?         ?              ?         
1 1 1 27 2  22 o 36.50071 14.57681  15.99135       16.02947  15.99135       16.02947  ?              ?         36.50071 14.57681  ?        ?         ?              ?         
1 1 1 27 3  0  o 222.0755 2.826870  493.5017       12.55101  493.5017       12.55101  493.5017       12.55101  222.0755 2.826870  222.0755 2.826870  0.000000       0.000000  
1 1 1 27 3  1  o 174.9101 1.271387  305.9798       3.144901  305.4271       6.289802  306.5326       6.289802  174.7521 1.799636  175.0681 1.796387  -0.3160095     2.542773  
1 1 1 27 3  2  o 166.3501 1.246066  276.8228       2.930476  268.6889       5.860952  284.9567       5.860952  163.9053 1.787909  168.7949 1.736117  -4.889587      2.492131  
1 1 1 27 3  3  o 250.7102 1.546988  632.7494       5.432102  733.7054       10.86420  531.7933       10.86420  270.8442 2.005619  230.5762 2.355881  40.26802       3.093975  
1 1 1 27 3  4  o 173.1735 1.427417  301.4912       3.468921  344.5001       6.937842  258.4823       6.937842  185.5913 1.869118  160.7556 2.157885  24.83574       2.854833  
1 1 1 27 3  5  o 232.6864 1.730884  542.0046       5.689413  512.4092       11.37883  571.6001       11.37883  226.3269 2.513803  239.0459 2.380050  -12.71899      3.461769  
1 1 1 27 3  6  o 51.79311 2.753597  26.86032       2.015596  27.98009       4.031191  25.74054       4.031191  52.87411 3.812065  50.71210 3.974586  2.162018       5.507193  
1 1 1 27 3  7  o 382.9588 2.591227  1467.897       14.03293  1450.066       28.06586  1485.728       28.06586  380.6308 3.686756  385.2868 3.642204  -4.656006      5.182453  
1 1 1 27 3  8  o 182.3673 1.788450  332.7353       4.612522  332.2255       9.225043  333.2452       9.225043  182.2275 2.531189  182.5071 2.527311  -0.2795715     3.576901  
1 1 1 27 3  9  o 133.4433 1.800783  178.1968       3.397446  183.0428       6.794893  173.3508       6.794893  135.2591 2.511807  131.6275 2.581106  3.631516       3.601567  
1 1 1 27 3  10 o 284.4609 2.007820  812.6091       8.033793  715.6080       16.06759  909.6103       16.06759  267.4109 3.004288  301.5109 2.664512  -34.10001      4.015640  
1 1 1 27 3  11 o 163.2820 1.522496  267.4119       3.502276  240.5087       7.004553  294.3151       7.004553  155.0437 2.258897  171.5202 2.041903  -16.47655      3.044993  
1 1 1 27 3  12 o 327.2065 2.108991  1071.701       9.758724  1060.270       19.51745  1083.133       19.51745  325.4597 2.998444  328.9532 2.966599  -3.493591      4.217982  
1 1 1 27 3  13 o 122.6422 1.673680  150.5550       2.901886  155.0722       5.803772  146.0378       5.803772  124.4838 2.331136  120.8006 2.402213  3.683235       3.347360  
1 1 1 27 3  14 o 31.21890 5.743576  10.21616       2.611221  13.04657       5.222442  7.385753       5.222442  35.26121 7.621435  27.17659 8.594671  8.084620       11.48715  
1 1 1 27 3  15 o 22.50297 6.464292  1.901236       3.264026  3.850122       6.528053  -0.4765002E-01 6.528053  24.22850 9.403999  20.77744 8.872038  3.451054       12.92858  
1 1 1 27 3  16 f 77.31677 3.420272  60.24869       3.735762  57.03707       7.471523  63.46030       7.471523  75.23985 4.965137  79.39369 4.705363  -4.153839      6.840543  
1 1 1 27 3  17 o 181.4113 2.181850  330.4243       5.594112  316.9489       11.18822  343.8997       11.18822  177.6972 3.148115  185.1253 3.021797  -7.428116      4.363701  
1 1 1 27 3  18 o 63.16996 5.605066  41.25062       4.988957  37.30043       9.977913  45.20081       9.977913  60.04332 8.308928  66.29659 7.525208  -6.253269      11.21013  
1 1 1 27 3  19 o 30.92221 8.169511  6.032493       5.308212  15.16224       10.61642  -3.097251      10.61642  37.69098 12.28375  24.15345 10.77373  13.53753       16.33902  
1 1 1 27 3  20 o 65.92615 7.360561  47.82632       6.542348  37.09077       13.08470  58.56187       13.08470  57.31740 11.81803  74.53489 8.777565  -17.21749      14.72112  
1 1 1 27 3  21 o 32.98085 9.088983  4.855536       7.071262  -10.85467      14.14252  20.56575       14.14252  24.23199 11.37679  41.72971 14.17769  -17.49771      18.17797  
1 1 1 27 3  22 o 57.51774 9.783080  44.40505       7.981378  53.81593       15.96276  34.99417       15.96276  65.17008 12.70011  49.86539 14.88428  15.30469       19.56616  
1 1 1 27 4  0  o 64.35116 3.178306  41.72235       4.069312  41.72235       4.069312  41.72235       4.069312  64.35116 3.178306  64.35116 3.178306  0.000000       0.000000  
1 1 1 27 4  1  o 156.9989 1.137084  246.7747       2.520686  262.7613       5.041372  230.7881       5.041372  162.0902 1.555113  151.9076 1.659355  10.18262       2.274167  
1 1 1 27 4  2  o 654.6546 3.640712  4291.327       33.70286  4363.951       67.40572  4218.704       67.40572  660.2013 5.104937  649.1079 5.192181  11.09338       7.281423  
1 1 1 27 4  3  o 247.7587 1.495499  614.5995       5.231973  653.8058       10.46395  575.3930       10.46395  255.6709 2.046370  239.8464 2.181384  15.82443       2.990998  
1 1 1 27 4  4  o 171.0067 1.438672  295.4921       3.426036  354.7449       6.852073  236.2392       6.852073  188.3314 1.819154  153.6819 2.229303  34.64941       2.877345  
1 1 1 27 4  5  o 130.4214 1.523288  172.1976       2.758936  134.7638       5.517872  209.6315       5.517872  116.0702 2.376954  144.7725 1.905705  -28.70225      3.046576  
1 1 1 27 4  6  o 97.62605 1.753274  95.34292       2.420621  94.88071       4.841242  95.80512       4.841242  97.38934 2.485509  97.86278 2.473485  -0.4734421     3.506549  
1 1 1 27 4  7  o 258.1268 2.029460  667.4481       7.395282  621.5278       14.79056  713.3684       14.79056  249.2319 2.967230  267.0217 2.769544  -17.78981      4.058919  
1 1 1 27 4  8  o 173.9821 1.779752  302.8397       4.379037  303.3210       8.758074  302.3584       8.758074  174.1204 2.514947  173.8438 2.518949  0.2766266      3.559503  
1 1 1 27 4  9  o 190.5938 1.755177  363.6459       4.726882  346.3299       9.453763  380.9619       9.453763  186.0512 2.540635  195.1365 2.422347  -9.085297      3.510355  
1 1 1 27 4  10 o 50.66649 3.065969  25.71196       2.196666  26.11221       4.393332  25.31169       4.393332  51.06149 4.302001  50.27150 4.369605  0.7899857      6.131938  
1 1 1 27 4  11 o 128.5860 1.490963  165.4170       2.711286  165.3456       5.422573  165.4885       5.422573  128.5582 2.108995  128.6138 2.108084  -0.5557251E-01 2.981925  
1 1 1 27 4  12 o 269.5560 1.953744  727.5443       7.442933  697.0150       14.88587  758.0737       14.88587  263.8930 2.820436  275.2189 2.704369  -11.32584      3.907489  
1 1 1 27 4  13 o 144.0912 1.697697  207.7875       3.459391  205.9434       6.918783  209.6315       6.918783  143.4513 2.411545  144.7310 2.390221  -1.279785      3.395395  
1 1 1 27 4  14 o 59.60246 3.187614  35.77563       2.673166  31.63008       5.346332  39.92118       5.346332  56.12480 4.762897  63.08013 4.237731  -6.955334      6.375229  
1 1 1 27 4  15 o 69.93509 3.447326  49.88005       3.335501  38.06284       6.671002  61.69725       6.671002  61.48639 5.424780  78.38378 4.255347  -16.89739      6.894651  
1 1 1 27 4  16 o 102.9999 2.751639  107.6890       3.945422  129.4270       7.890843  85.95111       7.890843  113.5523 3.474541  92.44749 4.267743  21.10481       5.503278  
1 1 1 27 4  17 o 114.4292 2.909209  131.7809       4.707822  130.9423       9.415645  132.6195       9.415645  114.0628 4.127396  114.7957 4.101046  -0.7328873     5.818417  
1 1 1 27 4  18 o 45.64211 7.746707  22.97207       4.988957  18.00218       9.977913  27.94197       9.977913  40.51258 11.67505  50.77163 10.18524  -10.25904      15.49341  
1 1 1 27 4  19 o 81.38031 5.217252  69.11159       5.865717  85.62708       11.73143  52.59609       11.73143  91.52742 6.408700  71.23321 8.234528  20.29421       10.43450  
1 1 1 27 4  20 o 43.80685 8.285716  20.19884       6.361277  1.238901       12.72255  39.15878       12.72255  28.38721 12.25958  59.22650 11.14967  -30.83929      16.57143  
1 1 1 27 4  21 f 34.42352 9.319348  10.51636       6.637648  3.240201       13.27530  17.79252       13.27530  29.49381 12.62473  39.35324 13.71194  -9.859428      18.63870  
1 1 1 27 5  0  o 157.5042 2.309429  248.2661       7.271393  248.2661       7.271393  248.2661       7.271393  157.5042 2.309429  157.5042 2.309429  0.000000       0.000000  
1 1 1 27 5  1  o 326.7259 1.953021  1068.189       9.020149  1031.556       18.04030  1104.823       18.04030  321.1198 2.808967  332.3320 2.714198  -11.21225      3.906042  
1 1 1 27 5  2  o 297.7888 1.843157  887.0670       7.762188  884.3654       15.52438  889.7689       15.52438  297.3351 2.610586  298.2424 2.602644  -0.9072876     3.686314  
1 1 1 27 5  3  o 313.1182 1.794910  980.7422       7.948023  974.4334       15.89605  987.0511       15.89605  312.1107 2.546540  314.1256 2.530206  -2.014862      3.589820  
1 1 1 27 5  4  o 255.5518 1.545247  653.2246       5.584582  655.0067       11.16916  651.4425       11.16916  255.9005 2.182326  255.2031 2.188289  0.6973419      3.090494  
1 1 1 27 5  5  o 307.8490 1.998577  949.5219       8.681833  876.6841       17.36367  1022.360       17.36367  296.0189 2.932865  319.6791 2.715796  -23.66022      3.997155  
1 1 1 27 5  6  o 127.4503 1.381838  163.2394       2.473036  140.9011       4.946072  185.5778       4.946072  118.6868 2.083666  136.2139 1.815554  -17.52709      2.763675  
1 1 1 27 5  7  o 243.8673 1.782438  596.8451       6.118262  530.0588       12.23652  663.6313       12.23652  230.1742 2.658101  257.5605 2.375466  -27.38628      3.564876  
1 1 1 27 5  8  o 327.0461 2.153761  1070.515       9.958854  1098.590       19.91771  1042.439       19.91771  331.3384 3.005644  322.7539 3.085588  8.584564       4.307522  
1 1 1 27 5  9  o 184.0224 1.585460  339.8018       4.107431  377.0451       8.214863  302.5586       8.214863  194.1416 2.115688  173.9032 2.361907  20.23842       3.170921  
1 1 1 27 5  10 o 151.1515 1.578301  229.2156       3.359326  253.6601       6.718653  204.7712       6.718653  159.2376 2.109631  143.0655 2.348104  16.17213       3.156602  
1 1 1 27 5  11 o 76.97812 1.861664  59.41957       2.020361  54.01606       4.040722  64.82309       4.040722  73.46835 2.749975  80.48789 2.510143  -7.019547      3.723329  
1 1 1 27 5  12 o 139.7261 1.856826  195.3937       3.669051  193.8689       7.338103  196.9185       7.338103  139.1805 2.636182  140.2718 2.615674  -1.091293      3.713651  
1 1 1 27 5  13 o 173.7569 1.650311  302.1583       4.055017  306.2753       8.110033  298.0413       8.110033  174.9416 2.317926  172.5722 2.349750  2.369385       3.300622  
1 1 1 27 5  14 o 143.9759 1.771554  207.5349       3.607106  207.6588       7.214212  207.4110       7.214212  144.0189 2.504606  143.9328 2.506104  0.8604431E-01  3.543107  
1 1 1 27 5  15 o 137.8882 2.049987  190.6573       3.993072  201.0450       7.986144  180.2695       7.986144  141.6550 2.818872  134.1215 2.977204  7.533417       4.099974  
1 1 1 27 5  16 o 84.47737 3.314706  71.98489       3.950187  66.16682       7.900373  77.80296       7.900373  81.03381 4.874739  87.92094 4.492885  -6.887131      6.629412  
1 1 1 27 5  17 o 98.68393 3.463174  98.41159       4.822182  106.0118       9.644363  90.81141       9.644363  102.5347 4.702976  94.83317 5.084911  7.701523       6.926348  
1 1 1 27 5  18 o 76.86548 4.645669  60.40593       5.041372  56.40810       10.08274  64.40376       10.08274  74.26494 6.788361  79.46602 6.344061  -5.201080      9.291337  
1 1 1 27 5  19 o 59.34152 7.613664  38.57269       6.146852  48.48866       12.29370  28.65672       12.29370  68.13278 9.021873  50.55027 12.26692  17.58252       15.22733  
1 1 1 27 5  20 o 74.27581 7.118780  60.93962       7.009318  43.66648       14.01864  78.21274       14.01864  62.21833 11.69579  86.33329 8.118906  -24.11496      14.23756  
1 1 1 27 5  21 o 33.08928 9.294310  5.999137       7.204682  18.95518       14.40936  -6.956903      14.40936  40.34229 14.26302  25.83627 11.92070  14.50601       18.58862  
1 1 1 27 6  0  o 67.11602 3.052199  45.33423       4.078841  45.33423       4.078841  45.33423       4.078841  67.11602 3.052199  67.11602 3.052199  0.000000       0.000000  
1 1 1 27 6  1  o 553.5302 3.033634  3066.913       23.74401  3005.448       47.48801  3128.376       47.48801  547.9782 4.333020  559.0822 4.246961  -11.10400      6.067268  
1 1 1 27 6  2  o 196.1626 1.262649  384.8930       3.502276  392.4837       7.004553  377.3024       7.004553  198.0973 1.767957  194.2278 1.803180  3.869568       2.525298  
1 1 1 27 6  3  o 229.6691 1.394994  527.9050       4.526752  501.6594       9.053504  554.1506       9.053504  223.9553 2.021274  235.3829 1.923144  -11.42760      2.789988  
1 1 1 27 6  4  o 96.37559 1.221952  92.98900       1.662986  87.13283       3.325971  98.84519       3.325971  93.33738 1.781693  99.41380 1.672792  -6.076416      2.443903  
1 1 1 27 6  5  o 109.2731 1.452306  119.4348       2.244316  119.8875       4.488632  118.9821       4.488632  109.4802 2.049973  109.0660 2.057760  0.4142685      2.904611  
1 1 1 27 6  6  o 259.2016 1.729953  674.0573       6.313628  601.3528       12.62726  746.7615       12.62726  245.1769 2.575131  273.2263 2.310768  -28.04938      3.459906  
1 1 1 27 6  7  o 48.85182 2.610188  23.94890       1.796406  26.35999       3.592812  21.53781       3.592812  51.31958 3.500429  46.38406 3.872895  4.935520       5.220376  
1 1 1 27 6  8  o 500.3473 2.923929  2507.482       20.68011  2595.354       41.36021  2419.611       41.36021  509.1283 4.061866  491.5663 4.206983  17.56204       5.847859  
1 1 1 27 6  9  o 203.7216 1.740816  415.6320       5.008017  441.6299       10.01603  389.6342       10.01603  210.1023 2.383609  197.3408 2.537750  12.76146       3.481633  
1 1 1 27 6  10 o 138.3084 1.478152  193.0016       2.854236  228.4247       5.708472  157.5786       5.708472  151.1142 1.888795  125.5026 2.274245  25.61162       2.956305  
1 1 1 27 6  11 o 147.6272 1.590987  218.0608       3.321206  221.9633       6.642413  214.1582       6.642413  148.9490 2.229761  146.3055 2.270049  2.643524       3.181974  
1 1 1 27 6  12 o 132.2852 1.738095  175.1901       3.249731  168.2999       6.499463  182.0802       6.499463  129.6809 2.505944  134.8895 2.409180  -5.208588      3.476191  
1 1 1 27 6  13 o 291.8920 2.030256  854.9177       8.353048  935.1031       16.70610  774.7321       16.70610  305.6275 2.733082  278.1566 3.003003  27.47095       4.060512  
1 1 1 27 6  14 o 91.13551 2.417555  83.40659       3.106781  90.73517       6.213562  76.07802       6.213562  95.15622 3.264927  87.11481 3.566306  8.041405       4.835110  
1 1 1 27 6  15 o 29.12368 6.803324  8.310163       3.259262  8.948673       6.518523  7.671653       6.518523  29.89072 9.617350  28.35663 9.625355  1.534084       13.60665  
1 1 1 27 6  16 o 149.7740 2.102894  225.1082       4.450512  235.6389       8.901024  214.5776       8.901024  153.2895 2.903337  146.2585 3.042908  7.031036       4.205789  
1 1 1 27 6  17 o 155.2537 2.274466  242.1336       4.988957  254.4702       9.977913  229.7970       9.977913  159.2267 3.133241  151.2807 3.297816  7.946091       4.548932  
1 1 1 27 6  18 o 38.67728 7.113596  13.27053       5.174792  -5.660822      10.34958  32.20188       10.34958  22.61588 10.30530  54.73867 9.808860  -32.12280      14.22719  
1 1 1 27 6  19 o 96.22861 4.636166  94.92361       6.299332  100.9227       12.59866  88.92446       12.59866  99.34573 6.340818  93.11148 6.765366  6.234253       9.272332  
1 1 1 27 6  20 o 133.4711 3.393055  181.3417       6.404162  183.7957       12.80832  178.8877       12.80832  134.3904 4.765342  132.5518 4.831440  1.838562       6.786110  
1 1 1 27 6  21 o 34.60659 9.676467  10.55448       7.171328  4.984192       14.34266  16.12477       14.34266  31.09588 13.21030  38.11731 14.14299  -7.021421      19.35293  
1 1 1 27 7  0  o 263.3914 3.527344  694.3275       18.57398  694.3275       18.57398  694.3275       18.57398  263.3914 3.527344  263.3914 3.527344  0.000000       0.000000  
1 1 1 27 7  1  o 169.4089 1.312339  287.5726       3.135371  262.8566       6.270743  312.2887       6.270743  162.1141 1.934052  176.7037 1.774366  -14.58960      2.624678  
1 1 1 27 7  2  o 183.2637 1.256703  337.0667       3.240201  376.5495       6.480402  297.5839       6.480402  194.0358 1.669898  172.4916 1.878469  21.54424       2.513405  
1 1 1 27 7  3  o 345.5244 1.999628  1194.962       9.763488  1249.345       19.52698  1140.579       19.52698  353.3940 2.762777  337.6548 2.891560  15.73926       3.999257  
1 1 1 27 7  4  o 83.18280 1.545058  71.23202       1.739226  47.57378       3.478451  94.89025       3.478451  68.96217 2.522000  97.40343 1.785590  -28.44126      3.090116  
1 1 1 27 7  5  o 284.4672 1.770324  810.0980       7.114148  853.8978       14.22830  766.2981       14.22830  292.1658 2.434969  276.7686 2.570431  15.39719       3.540649  
1 1 1 27 7  6  o 144.1295 1.340668  207.8970       2.730346  217.8178       5.460692  197.9763       5.460692  147.5712 1.850190  140.6879 1.940711  6.883209       2.681335  
1 1 1 27 7  7  o 64.53352 2.116266  41.97014       1.910766  49.01281       3.821531  34.92746       3.821531  69.99012 2.730051  59.07692 3.234370  10.91320       4.232532  
1 1 1 27 7  8  o 120.1078 1.477126  144.4081       2.506391  136.7841       5.012782  152.0322       5.012782  116.9339 2.143425  123.2816 2.033062  -6.347641      2.954253  
1 1 1 27 7  9  o 135.0111 1.560534  184.7582       2.920946  142.8357       5.841892  226.6807       5.841892  119.4855 2.444603  150.5367 1.940356  -31.05114      3.121068  
1 1 1 27 7  10 o 256.6356 1.689669  659.9671       6.118262  711.7102       12.23652  608.2239       12.23652  266.7166 2.293919  246.5545 2.481505  20.16211       3.379339  
1 1 1 27 7  11 o 346.0862 2.141607  1200.504       10.45918  1109.445       20.91836  1291.563       20.91836  332.9306 3.141549  359.2418 2.911460  -26.31113      4.283215  
1 1 1 27 7  12 o 148.3824 1.656629  220.6387       3.468921  204.0183       6.937842  237.2590       6.937842  142.7819 2.429524  153.9829 2.252796  -11.20102      3.313258  
1 1 1 27 7  13 o 299.1298 2.026379  895.9109       8.572238  898.4126       17.14448  893.4093       17.14448  299.5480 2.861724  298.7117 2.869737  0.8363342      4.052759  
1 1 1 27 7  14 o 80.07573 2.680954  64.31800       3.035306  65.92857       6.070612  62.70742       6.070612  81.08138 3.743531  79.07008 3.838755  2.011307       5.361908  
1 1 1 27 7  15 o 139.4880 2.058390  195.1888       4.055017  206.8678       8.110033  183.5098       8.110033  143.6744 2.822366  135.3016 2.997020  8.372772       4.116780  
1 1 1 27 7  16 o 101.1601 3.018612  103.0003       4.317091  99.99834       8.634183  106.0022       8.634183  99.67632 4.331111  102.6438 4.205894  -2.967529      6.037224  
1 1 1 27 7  17 o 47.67490 6.892843  24.12997       4.569637  28.49471       9.139274  19.76523       9.139274  52.63205 8.682232  42.71775 10.70813  9.914307       13.78569  
1 1 1 27 7  18 o 129.0944 3.215869  168.5143       5.860952  179.8407       11.72190  157.1879       11.72190  133.4812 4.390844  124.7075 4.699760  8.773743       6.431738  
1 1 1 27 7  19 o 72.99230 5.413643  55.19778       5.570287  60.14385       11.14057  50.25171       11.14057  76.38038 7.292826  69.60423 8.002801  6.776154       10.82729  
1 1 1 27 7  20 o 50.33977 8.367399  29.09987       6.304098  42.24651       12.60820  15.95323       12.60820  62.52429 10.08264  38.15525 13.35642  24.36904       16.73480  
1 1 1 27 7  21 o 83.16411 6.901046  76.24480       8.029028  64.49906       16.05806  87.99052       16.05806  76.10233 10.55031  90.22588 8.898808  -14.12356      13.80209  
1 1 1 27 8  0  o 101.6696 3.184491  103.6960       6.461343  103.6960       6.461343  103.6960       6.461343  101.6696 3.184491  101.6696 3.184491  0.000000       0.000000  
1 1 1 27 8  1  o 456.5794 2.556343  2086.390       16.50120  2146.376       33.00240  2026.403       33.00240  463.1486 3.562831  450.0103 3.666850  13.13828       5.112686  
1 1 1 27 8  2  o 389.7087 2.216175  1520.360       12.20317  1446.378       24.40634  1594.341       24.40634  380.2169 3.209529  399.2006 3.056902  -18.98376      4.432350  
1 1 1 27 8  3  o 368.1301 2.101956  1356.420       10.93568  1298.825       21.87136  1414.014       21.87136  360.3075 3.035096  375.9527 2.908791  -15.64520      4.203912  
1 1 1 27 8  4  o 469.1815 2.663102  2203.160       17.66862  2168.266       35.33725  2238.055       35.33725  465.4629 3.795926  472.9001 3.736228  -7.437256      5.326204  
1 1 1 27 8  5  o 74.90868 1.757111  56.57963       1.839291  46.56360       3.678581  66.59567       3.678581  68.22318 2.695991  81.59417 2.254194  -13.37099      3.514222  
1 1 1 27 8  6  o 138.5114 1.513161  191.9200       2.963831  194.6217       5.927662  189.2182       5.927662  139.4867 2.124813  137.5361 2.154948  1.950592       3.026323  
1 1 1 27 8  7  o 212.4509 1.589201  451.5363       4.774532  456.7349       9.549064  446.3377       9.549064  213.6743 2.234490  211.2274 2.260376  2.446976       3.178403  
1 1 1 27 8  8  o 77.56755 1.988131  60.35352       2.172841  66.33836       4.345681  54.36867       4.345681  81.42538 2.668506  73.70972 2.947835  7.715652       3.976261  
1 1 1 27 8  9  o 315.4746 2.000999  996.0665       8.924850  968.4390       17.84970  1023.694       17.84970  311.0959 2.868841  319.8534 2.790294  -8.757446      4.001998  
1 1 1 27 8  10 o 112.2590 1.715011  126.1487       2.720816  131.5903       5.441632  120.7070       5.441632  114.6827 2.372473  109.8353 2.477179  4.847397       3.430021  
1 1 1 27 8  11 o 334.8011 2.046164  1121.858       9.687249  1103.917       19.37450  1139.798       19.37450  332.1218 2.916776  337.4803 2.870464  -5.358459      4.092328  
1 1 1 27 8  12 o 67.03138 2.422143  45.11504       2.287201  49.68944       4.574402  40.54063       4.574402  70.44351 3.246858  63.61925 3.595140  6.824265       4.844287  
1 1 1 27 8  13 o 102.4856 2.494328  105.5782       3.597576  117.5621       7.195153  93.59416       7.195153  108.3322 3.320873  96.63891 3.722700  11.69333       4.988657  
1 1 1 27 8  14 o 48.64816 4.496661  24.13474       3.040071  19.03142       6.080142  29.23805       6.080142  43.40303 7.004283  53.89329 5.640909  -10.49026      8.993321  
1 1 1 27 8  15 o 197.0942 1.870049  389.6913       5.203382  363.2266       10.40676  416.1562       10.40676  190.3805 2.733149  203.8080 2.553081  -13.42747      3.740097  
1 1 1 27 8  16 o 172.0331 2.207383  297.3218       5.360627  317.9209       10.72125  276.7227       10.72125  178.0201 3.011248  166.0462 3.228396  11.97392       4.414765  
1 1 1 27 8  17 f 68.89748 5.168710  49.91816       4.793592  32.74509       9.587184  67.09122       9.587184  56.43472 8.494047  81.36025 5.891810  -24.92553      10.33742  
1 1 1 27 8  18 o 79.71062 4.445781  64.78973       5.008017  67.57726       10.01603  62.00220       10.01603  81.45915 6.147887  77.96210 6.423656  3.497055       8.891562  
1 1 1 27 8  19 o 42.60461 8.664333  20.37038       5.522637  22.64329       11.04527  18.09748       11.04527  44.84006 12.05422  40.36916 12.44904  4.470894       17.32867  
1 1 1 27 8  20 o 60.73546 8.467528  43.10897       7.095088  24.57788       14.19018  61.64006       14.19018  45.53111 14.12458  75.93981 9.343040  -30.40870      16.93506  
1 1 1 27 8  21 o 30.55432 13.39606  2.353911       15.64827  2.353911       15.64827  ?              ?         30.55432 13.39606  ?        ?         ?              ?         
1 1 1 27 9  0  o 314.4327 3.800423  989.4622       23.89172  989.4622       23.89172  989.4622       23.89172  314.4327 3.800423  314.4327 3.800423  0.000000       0.000000  
1 1 1 27 9  1  o 316.6315 1.849590  1002.942       8.281574  1016.956       16.56315  988.9285       16.56315  318.8445 2.597371  314.4186 2.633933  4.425903       3.699181  
1 1 1 27 9  2  o 225.5494 1.470970  509.4168       4.683997  475.0421       9.367994  543.7916       9.367994  217.9292 2.149321  233.1696 2.008837  -15.24046      2.941939  
1 1 1 27 9  3  o 298.3369 2.012302  890.6884       8.486469  860.4355       16.97294  920.9414       16.97294  293.2667 2.893772  303.4072 2.797056  -10.14050      4.024604  
1 1 1 27 9  4  o 406.2395 2.352614  1651.926       13.50878  1589.671       27.01756  1714.181       27.01756  398.5772 3.389251  413.9018 3.263764  -15.32458      4.705229  
1 1 1 27 9  5  o 166.5185 1.349413  278.1475       3.163961  248.2757       6.327922  308.0193       6.327922  157.5490 2.008240  175.4880 1.802951  -17.93903      2.698826  
1 1 1 27 9  6  o 279.0996 1.750455  779.6448       6.904487  746.5614       13.80897  812.7282       13.80897  273.1728 2.527517  285.0264 2.422403  -11.85364      3.500911  
1 1 1 27 9  7  o 246.6541 1.609444  608.6813       5.613173  621.3562       11.22635  596.0065       11.22635  249.2234 2.252265  244.0847 2.299682  5.138733       3.218887  
1 1 1 27 9  8  o 87.16074 1.787549  76.05420       2.201431  79.76614       4.402862  72.34225       4.402862  89.29010 2.465482  85.03138 2.588963  4.258720       3.575098  
1 1 1 27 9  9  o 187.2523 1.475484  350.7566       3.907302  350.8567       7.814603  350.6565       7.814603  187.2791 2.086353  187.2256 2.086948  0.5345154E-01  2.950969  
1 1 1 27 9  10 o 357.8268 2.114560  1282.915       10.68313  1367.403       21.36627  1198.427       21.36627  369.6325 2.890204  346.0211 3.087423  23.61148       4.229121  
1 1 1 27 9  11 o 296.7650 1.951720  881.3491       8.191037  886.8050       16.38207  875.8932       16.38207  297.6843 2.751586  295.8458 2.768685  1.838470       3.903440  
1 1 1 27 9  12 o 200.0119 1.660376  400.7653       4.688762  374.1861       9.377523  427.3444       9.377523  193.3675 2.424793  206.6563 2.268869  -13.28880      3.320751  
1 1 1 27 9  13 o 74.04752 2.748226  55.02148       2.873296  58.60952       5.746593  51.43343       5.746593  76.47031 3.757401  71.62471 4.011599  4.845604       5.496452  
1 1 1 27 9  14 o 136.8911 2.055317  187.7315       3.978776  185.6826       7.957553  189.7805       7.957553  136.1427 2.922504  137.6395 2.890723  -1.496765      4.110634  
1 1 1 27 9  15 o 180.7752 1.996332  327.5987       5.103317  332.3303       10.20663  322.8670       10.20663  182.0839 2.802728  179.4665 2.843604  2.617401       3.992664  
1 1 1 27 9  16 o 36.19285 6.715663  13.81851       3.726231  6.794893       7.452463  20.84212       7.452463  28.03436 10.22252  44.35135 8.712094  -16.31699      13.43133  
1 1 1 27 9  17 o 142.7824 2.341182  205.2048       4.712587  223.8694       9.425174  186.5403       9.425174  149.3184 3.156065  136.2464 3.458870  13.07199       4.682364  
1 1 1 27 9  18 o 69.42513 5.088639  49.84192       4.927012  40.55970       9.854024  59.12415       9.854024  62.74007 7.853055  76.11019 6.473525  -13.37012      10.17728  
1 1 1 27 9  19 o 33.52769 9.074727  8.281574       6.361277  16.22007       12.72255  0.3430801      12.72255  38.95298 13.43771  28.10241 12.19962  10.85058       18.14945  
1 1 1 27 9  20 o 35.97777 9.659101  12.01257       6.937842  6.718653       13.87568  17.30649       13.87568  32.33663 13.31402  39.61891 13.99750  -7.282284      19.31820  
1 1 1 27 9  21 o 29.69880 13.05947  1.601040       14.96210  1.601040       14.96210  ?              ?         29.69880 13.05947  ?        ?         ?              ?         
1 1 1 27 10 0  o 11.11946 7.190129  0.1143600      3.630931  0.1143600      3.630931  0.1143600      3.630931  11.11946 7.190129  11.11946 7.190129  0.000000       0.000000  
1 1 1 27 10 1  o 318.6077 1.872485  1016.094       8.429289  1066.322       16.85858  965.8658       16.85858  326.4901 2.581790  310.7253 2.712778  15.76477       3.744970  
1 1 1 27 10 2  o 101.1836 1.357353  102.5047       1.939356  95.98620       3.878712  109.0232       3.878712  97.96243 1.979694  104.4047 1.857537  -6.442276      2.714706  
1 1 1 27 10 3  o 61.95826 1.876281  38.77759       1.620101  46.36346       3.240201  31.19170       3.240201  68.08003 2.379700  55.83649 2.901509  12.24354       3.752563  
1 1 1 27 10 4  o 294.5769 1.810023  868.2549       7.538233  843.9009       15.07647  892.6087       15.07647  290.4432 2.595424  298.7106 2.523590  -8.267426      3.620046  
1 1 1 27 10 5  o 306.6322 1.822265  941.5118       7.890843  883.4599       15.78169  999.5640       15.78169  297.1661 2.655365  316.0982 2.496326  -18.93213      3.644531  
1 1 1 27 10 6  o 337.2775 1.994243  1138.316       9.510945  1117.078       19.02189  1159.554       19.02189  334.1291 2.846488  340.4259 2.793837  -6.296783      3.988486  
1 1 1 27 10 7  o 209.5235 1.534516  439.8430       4.536282  474.5656       9.072563  405.1204       9.072563  217.8096 2.082683  201.2374 2.254194  16.57216       3.069032  
1 1 1 27 10 8  o 68.00261 2.314933  47.29741       2.153781  61.01109       4.307562  33.58373       4.307562  78.08581 2.758223  57.91940 3.718583  20.16640       4.629866  
1 1 1 27 10 9  o 238.2334 1.653027  569.3558       5.546463  628.7039       11.09293  510.0077       11.09293  250.6893 2.212485  225.7776 2.456605  24.91173       3.306054  
1 1 1 27 10 10 o 103.2808 1.879945  110.8053       2.592161  69.14017       5.184323  152.4705       5.184323  83.10997 3.118953  123.4516 2.099738  -40.34165      3.759890  
1 1 1 27 10 11 o 261.6879 1.832054  686.2127       6.766303  736.6978       13.53261  635.7275       13.53261  271.3339 2.493718  252.0418 2.684596  19.29214       3.664107  
1 1 1 27 10 12 o 148.0182 1.612689  220.1574       3.354562  248.5901       6.709123  191.7246       6.709123  157.6227 2.128223  138.4137 2.423577  19.20897       3.225377  
1 1 1 27 10 13 o 59.04337 3.594098  35.70416       2.911416  25.80725       5.822832  45.60107       5.822832  50.66232 5.746709  67.42442 4.318044  -16.76210      7.188196  
1 1 1 27 10 14 o 75.30782 3.323337  57.62317       3.478451  69.81680       6.956903  45.42953       6.956903  83.40369 4.170620  67.21196 5.175346  16.19173       6.646674  
1 1 1 27 10 15 o 118.7877 2.430397  141.7016       4.078841  148.9254       8.157682  134.4779       8.157682  121.8283 3.348024  115.7471 3.523925  6.081215       4.860793  
1 1 1 27 10 16 o 46.49999 6.732594  22.97684       4.350447  28.48518       8.700893  17.46850       8.700893  52.73670 8.249372  40.26328 10.64233  12.47343       13.46519  
1 1 1 27 10 17 o 68.60621 5.384351  48.35524       5.208147  44.10486       10.41630  52.60562       10.41630  65.50854 7.950334  71.70388 7.263411  -6.195343      10.76870  
1 1 1 27 10 18 o 52.18843 7.736925  29.76697       5.641763  21.59499       11.28353  37.93895       11.28353  44.09614 12.32260  60.28071 9.359150  -16.18457      15.47385  
1 1 1 27 10 19 f 72.31669 7.201768  58.34268       6.718653  80.41418       13.43731  36.27120       13.43731  88.01462 7.633565  56.61876 12.21436  31.39586       14.40354  
1 1 1 27 10 20 o 88.67216 6.219237  83.48283       7.795544  86.18935       15.59109  80.77631       15.59109  90.19830 8.642673  87.14603 8.945381  3.052277       12.43847  
1 1 1 27 10 21 o 44.10607 15.02195  24.37775       15.87699  24.37775       15.87699  ?              ?         44.10607 15.02195  ?        ?         ?              ?         
1 1 1 27 11 0  o 240.9982 3.053886  581.2254       14.71433  581.2254       14.71433  581.2254       14.71433  240.9982 3.053886  240.9982 3.053886  0.000000       0.000000  
1 1 1 27 11 1  o 139.1452 1.410010  194.1643       2.763701  214.0248       5.527402  174.3038       5.527402  146.2818 1.889299  132.0086 2.093577  14.27324       2.820020  
1 1 1 27 11 2  o 236.9913 1.505026  561.9987       5.041372  583.6746       10.08274  540.3227       10.08274  241.5644 2.086968  232.4181 2.169096  9.146317       3.010052  
1 1 1 27 11 3  o 36.51363 3.290972  14.15682       1.534331  19.99395       3.068661  8.319694       3.068661  44.69950 3.432546  28.32775 5.616015  16.37174       6.581944  
1 1 1 27 11 4  o 131.7692 1.244070  174.0274       2.311026  189.9425       4.622052  158.1123       4.622052  137.8082 1.676987  125.7302 1.838084  12.07800       2.488139  
1 1 1 27 11 5  o 53.23275 2.534640  29.49060       1.796406  18.16419       3.592812  40.81701       3.592812  42.59418 4.217491  63.87133 2.812539  -21.27715      5.069281  
1 1 1 27 11 6  o 241.7364 1.629697  584.6705       5.570287  598.1125       11.14057  571.2285       11.14057  244.5167 2.278080  238.9561 2.331093  5.560654       3.259393  
1 1 1 27 11 7  o 277.7302 1.721556  771.7159       6.761538  764.6113       13.52308  778.8205       13.52308  276.4512 2.445834  279.0093 2.423410  -2.558075      3.443112  
1 1 1 27 11 8  o 193.1689 1.516016  374.7531       4.116962  421.6931       8.233924  327.8131       8.233924  205.3189 2.005155  181.0189 2.274328  24.30000       3.032031  
1 1 1 27 11 9  o 68.63974 2.187230  47.26405       2.115661  42.68488       4.231322  51.84322       4.231322  65.30409 3.239707  71.97540 2.939422  -6.671303      4.374460  
1 1 1 27 11 10 f 64.23794 2.550928  41.33639       2.315791  39.54952       4.631582  43.12327       4.631582  62.84711 3.684801  65.62876 3.528622  -2.781651      5.101856  
1 1 1 27 11 11 o 145.5982 1.597055  212.7526       3.273556  236.0677       6.547113  189.4374       6.547113  153.6048 2.131154  137.5915 2.379185  16.01335       3.194110  
1 1 1 27 11 12 o 245.9939 1.767129  606.9326       6.127792  663.0977       12.25558  550.7675       12.25558  257.4099 2.380558  234.5780 2.612262  22.83188       3.534257  
1 1 1 27 11 13 o 72.68927 2.851790  53.05829       2.925711  49.19388       5.851423  56.92271       5.851423  70.03109 4.177732  75.34744 3.882961  -5.316353      5.703580  
1 1 1 27 11 14 o 163.3906 2.058101  267.4596       4.755473  264.8864       9.510944  270.0327       9.510944  162.6032 2.924587  164.1780 2.896534  -1.574814      4.116201  
1 1 1 27 11 15 o 188.4186 1.950557  355.9885       5.193852  371.4224       10.38770  340.5547       10.38770  192.5142 2.697906  184.3230 2.817800  8.191254       3.901114  
1 1 1 27 11 16 o 141.4858 2.385901  201.6644       4.750707  178.8210       9.501413  224.5078       9.501413  133.4131 3.560900  149.5585 3.176488  -16.14539      4.771801  
1 1 1 27 11 17 o 42.13388 8.398550  19.50315       5.236737  17.49709       10.47347  21.50922       10.47347  40.10450 12.07384  44.16326 11.67754  -4.058758      16.79710  
1 1 1 27 11 18 o 64.10210 6.982694  45.05309       5.865717  61.04920       11.73143  29.05698       11.73143  76.99094 7.618711  51.21325 11.70416  25.77770       13.96539  
1 1 1 27 11 19 o 60.98792 8.075031  41.07908       6.799657  45.79167       13.59931  36.36650       13.59931  65.37418 10.40114  56.60167 12.35479  8.772518       16.15006  
1 1 1 27 11 20 o 58.37379 8.582142  39.41133       6.985494  49.80380       13.97099  29.01886       13.97099  67.57345 10.33763  49.17414 13.70204  18.39930       17.16428  
1 1 1 27 11 21 o 109.4340 4.703703  125.4244       7.271393  131.9906       14.54279  118.8582       14.54279  112.4341 6.467250  106.4340 6.831835  6.000114       9.407407  
1 1 1 27 12 0  o 319.4575 3.803277  1021.378       24.29198  1021.378       24.29198  1021.378       24.29198  319.4575 3.803277  319.4575 3.803277  0.000000       0.000000  
1 1 1 27 12 1  o 257.0913 1.612334  661.2441       5.860952  645.7721       11.72190  676.7160       11.72190  254.0823 2.306715  260.1004 2.253343  -6.018097      3.224668  
1 1 1 27 12 2  o 219.6645 1.497421  483.0568       4.645877  511.1227       9.291754  454.9909       9.291754  226.0528 2.055218  213.2761 2.178339  12.77670       2.994842  
1 1 1 27 12 3  o 285.8111 1.838653  818.1318       7.419108  762.9911       14.83822  873.2724       14.83822  276.1647 2.686479  295.4574 2.511059  -19.29266      3.677307  
1 1 1 27 12 4  o 132.6079 1.345395  177.5583       2.487331  143.2741       4.974662  211.8424       4.974662  119.6810 2.078302  145.5348 1.709098  -25.85382      2.690790  
1 1 1 27 12 5  o 174.0609 1.413589  303.4067       3.473686  323.9439       6.947372  282.8696       6.947372  179.9603 1.930252  168.1614 2.065686  11.79884       2.827177  
1 1 1 27 12 6  f 191.9245 1.408538  368.5586       3.821531  380.6855       7.643063  356.4317       7.643063  195.0838 1.958918  188.7652 2.024489  6.318588       2.817075  
1 1 1 27 12 7  o 152.7078 1.404315  233.3850       3.030541  243.7298       6.061082  223.0402       6.061082  156.0949 1.941473  149.3206 2.029553  6.774261       2.808630  
1 1 1 27 12 8  o 128.1277 1.563395  164.3258       2.830411  172.2262       5.660822  156.4255       5.660822  131.2107 2.157149  125.0447 2.263520  6.166023       3.126790  
1 1 1 27 12 9  o 236.5013 1.628679  559.6685       5.446397  547.6797       10.89279  571.6573       10.89279  233.9667 2.327851  239.0359 2.278485  -5.069199      3.257359  
1 1 1 27 12 10 o 238.0970 1.662502  567.7738       5.589347  604.1356       11.17869  531.4120       11.17869  245.7329 2.274562  230.4611 2.425289  15.27180       3.325005  
1 1 1 27 12 11 o 77.68201 2.216469  60.42023       2.434916  60.96344       4.869832  59.87701       4.869832  78.03165 3.120421  77.33237 3.148637  0.6992722      4.432939  
1 1 1 27 12 12 o 181.8341 1.788267  330.9627       4.598227  326.3073       9.196454  335.6182       9.196454  180.5539 2.546733  183.1142 2.511126  -2.560242      3.576535  
1 1 1 27 12 13 o 54.83644 3.708687  30.44360       2.844706  25.30216       5.689413  35.58503       5.689413  50.14846 5.672569  59.52441 4.779058  -9.375954      7.417374  
1 1 1 27 12 14 o 18.66187 5.821810  -3.102016      3.154431  -7.500113      6.308862  1.296081       6.308862  15.77137 7.465565  21.55237 8.935280  -5.780999      11.64362  
1 1 1 27 12 15 o 94.16615 3.153905  89.24371       4.197967  92.49821       8.395933  85.98922       8.395933  95.89420 4.377707  92.43809 4.541382  3.456116       6.307810  
1 1 1 27 12 16 o 118.6295 2.563625  141.4920       4.298031  147.4578       8.596063  135.5262       8.596063  121.1440 3.547870  116.1151 3.701527  5.028915       5.127249  
1 1 1 27 12 17 o 159.6769 2.255648  256.5763       5.084257  238.6980       10.16851  274.4546       10.16851  154.0786 3.299781  165.2751 3.076238  -11.19653      4.511296  
1 1 1 27 12 18 o 71.58495 5.407227  52.92012       5.455927  48.09793       10.91185  57.74229       10.91185  68.21679 7.997925  74.95309 7.279122  -6.736305      10.81445  
1 1 1 27 12 19 o 46.02832 8.816162  24.14903       6.018198  30.59131       12.03640  17.70675       12.03640  52.06982 11.82482  39.98682 13.07947  12.08301       17.63232  
1 1 1 27 12 20 o 24.39414 7.970948  -13.11805      6.914018  -28.55189      13.82804  2.315791       13.82804  19.26377 9.548059  29.52451 12.76631  -10.26075      15.94190  
1 1 1 27 12 21 o 24.23168 11.39285  -10.28287      14.30454  -10.28287      14.30454  ?              ?         24.23168 11.39285  ?        ?         ?              ?         
1 1 1 27 13 0  o 234.5638 3.036098  550.6245       14.23783  550.6245       14.23783  550.6245       14.23783  234.5638 3.036098  234.5638 3.036098  0.000000       0.000000  
1 1 1 27 13 1  o 246.0847 1.547775  606.2560       5.379687  571.0569       10.75937  641.4550       10.75937  238.9329 2.251548  253.2365 2.124373  -14.30363      3.095549  
1 1 1 27 13 2  o 403.7592 2.326741  1633.271       13.26100  1518.377       26.52200  1748.165       26.52200  389.5312 3.404348  417.9872 3.172585  -28.45599      4.653481  
1 1 1 27 13 3  o 188.8032 1.447665  356.6175       3.864417  347.4258       7.728833  365.8092       7.728833  186.3690 2.073530  191.2374 2.020743  -4.868393      2.895329  
1 1 1 27 13 4  o 457.4422 2.527998  2094.442       16.35349  2116.185       32.70698  2072.699       32.70698  459.8188 3.556507  455.0657 3.593654  4.753082       5.055996  
1 1 1 27 13 5  o 253.8321 1.682899  645.1907       6.032492  685.0262       12.06498  605.3553       12.06498  261.6789 2.305304  245.9853 2.452379  15.69360       3.365797  
1 1 1 27 13 6  o 513.1234 2.898465  2636.418       21.03272  2656.555       42.06544  2616.281       42.06544  515.0856 4.083344  511.1612 4.114694  3.924347       5.796931  
1 1 1 27 13 7  o 301.9301 1.862631  912.1643       7.952788  924.3055       15.90558  900.0230       15.90558  303.9408 2.616559  299.9195 2.651641  4.021240       3.725262  
1 1 1 27 13 8  o 331.2609 2.058809  1098.142       9.644363  1083.847       19.28873  1112.437       19.28873  329.1032 2.930498  333.4185 2.892570  -4.315369      4.117618  
1 1 1 27 13 9  o 323.5787 2.026746  1048.029       9.272695  1023.665       18.54539  1072.392       18.54539  319.8140 2.899402  327.3434 2.832712  -7.529358      4.053491  
1 1 1 27 13 10 o 292.8091 1.887152  861.4409       7.766953  970.8882       15.53391  751.9935       15.53391  311.4983 2.493417  274.1199 2.833414  37.37839       3.774303  
1 1 1 27 13 11 f 155.0117 1.579920  240.6278       3.459391  227.1190       6.918783  254.1366       6.918783  150.6543 2.296244  159.3690 2.170680  -8.714676      3.159840  
1 1 1 27 13 12 o 131.4072 1.805110  172.8552       3.354562  172.2548       6.709123  173.4556       6.709123  131.1787 2.557245  131.6356 2.548369  -0.4568939     3.610219  
1 1 1 27 13 13 o 178.7668 1.747620  320.0270       4.417156  311.8694       8.834313  328.1848       8.834313  176.4852 2.502849  181.0485 2.439765  -4.563309      3.495240  
1 1 1 27 13 14 o 134.2207 2.043823  180.5745       3.878712  176.3337       7.757423  184.8154       7.757423  132.6409 2.924221  135.8005 2.856184  -3.159607      4.087646  
1 1 1 27 13 15 o 36.05340 7.209302  13.73274       3.931127  17.54474       7.862253  9.920734       7.862253  40.45403 9.805648  31.65277 10.57097  8.801260       14.41860  
1 1 1 27 13 16 o 149.8699 2.515327  225.9230       5.322507  211.1182       10.64501  240.7279       10.64501  144.9307 3.672451  154.8091 3.438109  -9.878464      5.030655  
1 1 1 27 13 17 o 40.62952 8.251485  18.08318       5.027077  20.91836       10.05415  15.24801       10.05415  43.54581 11.40798  37.71324 11.92501  5.832573       16.50297  
1 1 1 27 13 18 o 106.0259 4.057515  114.5506       6.070612  105.9451       12.14122  123.1562       12.14122  101.9677 5.953468  110.0842 5.514519  -8.116508      8.115029  
1 1 1 27 13 19 o 64.37640 7.361486  45.25322       6.475638  38.25343       12.95128  52.25301       12.95128  58.47894 11.48270  70.27386 9.214859  -11.79492      14.72297  
1 1 1 27 13 20 o 40.91196 9.889404  19.30302       6.990257  14.43796       13.98051  24.16809       13.98051  37.08664 13.92282  44.73728 14.04836  -7.650646      19.77881  
1 1 1 27 13 21 o 31.94847 13.80182  6.118262       16.13430  6.118262       16.13430  ?              ?         31.94847 13.80182  ?        ?         ?              ?         
1 1 1 27 14 0  o 340.3913 4.023059  1159.706       27.37970  1159.706       27.37970  1159.706       27.37970  340.3913 4.023059  340.3913 4.023059  0.000000       0.000000  
1 1 1 27 14 1  o 195.7931 1.406137  383.4731       3.893007  390.5110       7.786013  376.4352       7.786013  197.5904 1.970241  193.9958 2.006747  3.594559       2.812274  
1 1 1 27 14 2  o 315.3407 1.971488  994.9276       8.791429  1008.341       17.58286  981.5141       17.58286  317.4675 2.769238  313.2138 2.806846  4.253662       3.942976  
1 1 1 27 14 3  o 281.6053 1.774389  794.7832       7.047437  727.4824       14.09487  862.0841       14.09487  269.6558 2.613494  293.5548 2.400723  -23.89902      3.548777  
1 1 1 27 14 4  o 105.4711 1.474131  111.3486       2.196666  116.9999       4.393332  105.6973       4.393332  108.1501 2.031126  102.7920 2.137001  5.358154       2.948262  
1 1 1 27 14 5  o 275.5547 1.825582  759.6843       7.114148  757.5019       14.22830  761.8666       14.22830  275.1588 2.585470  275.9507 2.578050  -0.7919922     3.651164  
1 1 1 27 14 6  o 272.7873 1.744602  745.3511       6.718653  795.9554       13.43731  694.7468       13.43731  282.0627 2.381971  263.5119 2.549658  18.55081       3.489204  
1 1 1 27 14 7  o 228.6478 1.743961  523.1877       5.636997  506.2433       11.27399  540.1321       11.27399  224.9425 2.505973  232.3532 2.426047  -7.410690      3.487923  
1 1 1 27 14 8  o 153.6344 1.495724  236.1297       3.249731  234.5238       6.499463  237.7355       6.499463  153.1118 2.122457  154.1570 2.108066  -1.045227      2.991448  
1 1 1 27 14 9  o 295.8983 1.860622  876.1552       7.786013  874.7209       15.57203  877.5895       15.57203  295.6559 2.633471  296.1407 2.629161  -0.4847412     3.721244  
1 1 1 27 14 10 f 125.2641 1.655802  157.1021       2.930476  164.9930       5.860952  149.2113       5.860952  128.4138 2.282057  122.1144 2.399779  6.299370       3.311604  
1 1 1 27 14 11 o 271.2586 1.801104  736.4167       6.909253  731.8471       13.81851  740.9864       13.81851  270.4163 2.555043  272.1009 2.539224  -1.684601      3.602208  
1 1 1 27 14 12 o 89.92737 2.310490  81.06699       2.935241  85.39836       5.870482  76.73560       5.870482  92.33564 3.178882  87.51910 3.353830  4.816544       4.620981  
1 1 1 27 14 13 o 136.9213 2.033114  187.8316       3.935891  192.5823       7.871783  183.0809       7.871783  138.6561 2.838599  135.1865 2.911454  3.469666       4.066227  
1 1 1 27 14 14 o 100.1627 2.696183  101.1276       3.797706  88.82916       7.595412  113.4261       7.595412  94.02342 4.039107  106.3019 3.572567  -12.27849      5.392366  
1 1 1 27 14 15 o 124.0012 2.716608  154.6386       4.760237  161.6575       9.520474  147.6198       9.520474  126.8314 3.753201  121.1711 3.928526  5.660309       5.433217  
1 1 1 27 14 16 o 90.78520 3.684788  83.32082       4.726882  79.40399       9.453763  87.23766       9.453763  88.62801 5.333395  92.94241 5.085818  -4.314400      7.369576  
1 1 1 27 14 17 o 67.16817 5.614631  46.87333       5.260562  38.24390       10.52112  55.50274       10.52112  60.74443 8.660155  73.59192 7.148288  -12.84748      11.22926  
1 1 1 27 14 18 o 29.03516 8.114432  -0.9529619E-02 5.818067  14.55232       11.63613  -14.57137      11.63613  37.38989 12.85572  20.68042 9.904868  16.70947       16.22886  
1 1 1 27 14 19 o 52.56654 9.338662  32.38295       6.947372  34.43190       13.89474  30.33400       13.89474  54.38048 12.94440  50.75261 13.46421  3.627872       18.67732  
1 1 1 27 14 20 o 79.08972 6.564665  67.68210       7.319043  61.89737       14.63809  73.46680       14.63809  75.43266 9.702750  82.74678 8.845110  -7.314117      13.12933  
1 1 1 27 15 0  f 455.6353 5.089208  2078.580       46.36346  2078.580       46.36346  2078.580       46.36346  455.6353 5.089208  455.6353 5.089208  0.000000       0.000000  
1 1 1 27 15 1  o 294.0092 1.734167  864.8478       7.209448  882.0781       14.41890  847.6176       14.41890  296.9394 2.427919  291.0789 2.476802  5.860443       3.468333  
1 1 1 27 15 2  o 39.16703 3.045691  15.41955       1.677281  13.51355       3.354562  17.32555       3.354562  36.73386 4.566034  41.60020 4.031905  -4.866341      6.091382  
1 1 1 27 15 3  o 239.0502 1.589164  571.8241       5.370157  591.1271       10.74031  552.5211       10.74031  243.0876 2.209145  235.0128 2.285049  8.074875       3.178328  
1 1 1 27 15 4  o 70.54274 1.816438  50.07541       1.796406  57.65652       3.592812  42.49429       3.592812  75.91616 2.366302  65.16932 2.756521  10.74684       3.632877  
1 1 1 27 15 5  o 330.1595 2.028632  1091.791       9.458529  1158.963       18.91706  1024.618       18.91706  340.3322 2.779205  319.9868 2.955912  20.34540       4.057264  
1 1 1 27 15 6  o 135.1934 1.505725  182.8712       2.878061  177.9919       5.756122  187.7506       5.756122  133.3888 2.157649  136.9980 2.100806  -3.609192      3.011451  
1 1 1 27 15 7  o 152.0594 1.566865  231.9937       3.354562  206.8678       6.709123  257.1195       6.709123  143.7975 2.332837  160.3212 2.092400  -16.52373      3.133731  
1 1 1 27 15 8  o 165.2938 1.651578  277.9474       3.764351  207.1060       7.528703  348.7886       7.528703  143.8649 2.616588  186.7227 2.016012  -42.85780      3.303156  
1 1 1 27 15 9  o 177.4900 1.557018  315.2192       3.907302  307.1997       7.814603  323.2387       7.814603  175.2308 2.229803  179.7491 2.173753  -4.518295      3.114036  
1 1 1 27 15 10 o 183.5932 1.591245  337.2859       4.131257  341.5839       8.262513  332.9879       8.262513  184.7638 2.235967  182.4227 2.264661  2.341064       3.182489  
1 1 1 27 15 11 o 166.9641 1.624563  278.9766       3.835827  281.7165       7.671653  276.2367       7.671653  167.7846 2.286161  166.1436 2.308742  1.641006       3.249126  
1 1 1 27 15 12 o 171.8210 1.737974  295.5969       4.221792  304.1882       8.443583  287.0056       8.443583  174.3211 2.421847  169.3210 2.493366  5.000137       3.475949  
1 1 1 27 15 13 o 181.7780 1.760568  331.0581       4.521987  315.1000       9.043974  347.0160       9.043974  177.3886 2.549198  186.1674 2.428989  -8.778839      3.521136  
1 1 1 27 15 14 o 104.1676 2.587044  109.2901       3.792941  121.5361       7.585882  97.04402       7.585882  110.0457 3.446698  98.28956 3.858947  11.75611       5.174089  
1 1 1 27 15 15 o 35.81211 7.337856  13.61837       3.931127  13.07517       7.862253  14.16159       7.862253  35.18684 10.43436  36.43738 10.31991  -1.250542      14.67571  
1 1 1 27 15 16 o 119.4832 2.971083  145.4565       4.931777  176.5338       9.863553  114.3791       9.863553  132.4881 3.722431  106.4783 4.631722  26.00981       5.942167  
1 1 1 27 15 17 o 82.21315 4.400354  69.05917       5.093787  61.75443       10.18757  76.36392       10.18757  77.77059 6.549760  86.65572 5.878190  -8.885124      8.800709  
1 1 1 27 15 18 o 66.73979 6.396897  46.78756       6.032492  48.91751       12.06498  44.65760       12.06498  68.33551 8.827757  65.14407 9.260232  3.191437       12.79379  
1 1 1 27 15 19 o 87.33435 5.792420  80.37129       7.147503  84.17852       14.29501  76.56406       14.29501  89.51405 7.984784  85.15466 8.393555  4.359383       11.58484  
1 1 1 27 15 20 o 56.96591 9.599371  39.73059       7.633533  42.09402       15.26707  37.36715       15.26707  58.94877 13.26976  54.98304 13.87462  3.965729       19.19874  
1 1 1 27 16 0  o 22.79687 10.15118  7.528703       4.869832  7.528703       4.869832  7.528703       4.869832  22.79687 10.15118  22.79687 10.15118  0.000000       0.000000  
1 1 1 27 16 1  o 414.0924 2.303513  1716.054       13.48972  1715.896       26.97944  1716.211       26.97944  414.0734 3.257809  414.1114 3.257511  -0.3796387E-01 4.607027  
1 1 1 27 16 2  o 217.0567 1.475626  471.4874       4.526752  452.0367       9.053504  490.9381       9.053504  212.5761 2.129474  221.5372 2.043337  -8.961136      2.951251  
1 1 1 27 16 3  o 339.9645 2.117032  1156.547       10.17804  1146.736       20.35609  1166.358       20.35609  338.5216 3.006616  341.4075 2.981201  -2.885895      4.234065  
1 1 1 27 16 4  o 92.07011 1.852304  84.83133       2.411091  87.24718       4.822182  82.41547       4.822182  93.38207 2.581964  90.75815 2.656611  2.623924       3.704607  
1 1 1 27 16 5  o 221.3177 1.629260  490.0804       5.098552  479.5879       10.19710  500.5730       10.19710  218.9473 2.328667  223.6882 2.279312  -4.740952      3.258520  
1 1 1 27 16 6  o 229.7711 1.589937  528.2386       5.165262  541.1804       10.33052  515.2969       10.33052  232.5873 2.220784  226.9549 2.275898  5.632462       3.179874  
1 1 1 27 16 7  o 204.6142 1.569070  419.3916       4.531517  389.1577       9.063033  449.6256       9.063033  197.2262 2.297624  212.0023 2.137485  -14.77606      3.138139  
1 1 1 27 16 8  o 221.6346 1.732173  491.9197       5.422573  520.1572       10.84515  463.6823       10.84515  228.0048 2.378271  215.2643 2.519030  12.74052       3.464345  
1 1 1 27 16 9  o 155.0288 1.643077  240.4658       3.602341  240.9280       7.204682  240.0036       7.204682  155.1779 2.321427  154.8798 2.325895  0.2981415      3.286155  
1 1 1 27 16 10 o 127.8386 1.747777  163.7398       3.154431  152.7088       6.308862  174.7708       6.308862  123.5242 2.553694  132.1531 2.386953  -8.628838      3.495554  
1 1 1 27 16 11 o 90.98734 2.149758  82.95392       2.763701  87.02800       5.527402  78.87984       5.527402  93.22616 2.964513  88.74853 3.114081  4.477631       4.299516  
1 1 1 27 16 12 o 98.30005 2.367519  97.64919       3.249731  79.88049       6.499463  115.4179       6.499463  89.26206 3.640663  107.3380 3.027567  -18.07597      4.735039  
1 1 1 27 16 13 o 160.0076 1.880825  256.4762       4.255147  262.4754       8.510294  250.4771       8.510294  161.8822 2.628545  158.1329 2.690867  3.749268       3.761650  
1 1 1 27 16 14 o 104.0483 2.600688  108.7087       3.826297  110.7768       7.652593  106.6407       7.652593  105.0420 3.642634  103.0545 3.712888  1.987549       5.201376  
1 1 1 27 16 15 o 101.3258 2.956306  103.4101       4.231322  97.67300       8.462644  109.1471       8.462644  98.49484 4.295983  104.1568 4.062452  -5.662003      5.912613  
1 1 1 27 16 16 o 54.07890 6.720647  30.96298       5.012782  28.16116       10.02556  33.76480       10.02556  51.06194 10.17778  57.09585 8.779592  -6.033905      13.44129  
1 1 1 27 16 17 o 122.6818 3.348898  152.2466       5.808537  147.9914       11.61707  156.5017       11.61707  120.9475 4.802526  124.4160 4.668642  -3.468445      6.697797  
1 1 1 27 16 18 o 81.61404 5.276922  69.12112       6.075377  63.67949       12.15075  74.56275       12.15075  78.28028 7.761057  84.94780 7.151895  -6.667519      10.55384  
1 1 1 27 16 19 o 117.0978 4.330046  141.4539       7.142738  155.4248       14.28548  127.4829       14.28548  123.0633 5.804116  111.1323 6.427240  11.93105       8.660091  
1 1 1 27 16 20 o 109.2407 5.298926  126.4298       8.176744  119.7731       16.35349  133.0865       16.35349  106.1938 7.699828  112.2875 7.281974  -6.093620      10.59785  
1 1 1 27 17 0  o 353.5411 4.056707  1251.166       28.67578  1251.166       28.67578  1251.166       28.67578  353.5411 4.056707  353.5411 4.056707  0.000000       0.000000  
1 1 1 27 17 1  o 125.3469 1.440225  157.3213       2.549276  167.1849       5.098552  147.4578       5.098552  129.2814 1.971882  121.4124 2.099684  7.869011       2.880450  
1 1 1 27 17 2  o 33.84648 4.136181  12.82739       1.844056  4.393332       3.688112  21.26144       3.688112  21.61053 7.240083  46.08244 4.001646  -24.47191      8.272362  
1 1 1 27 17 3  o 150.0769 1.543992  226.7855       3.244966  263.2092       6.489933  190.3618       6.489933  162.2119 2.000448  137.9419 2.352415  24.27002       3.087985  
1 1 1 27 17 4  o 212.7680 1.575829  452.9134       4.741177  445.4515       9.482354  460.3755       9.482354  211.0145 2.246849  214.5215 2.210117  -3.507080      3.151658  
1 1 1 27 17 5  o 78.38828 1.979321  62.15468       2.158546  74.99161       4.317091  49.31777       4.317091  86.57630 2.493229  70.20024 3.074841  16.37606       3.958641  
1 1 1 27 17 6  o 187.4678 1.521028  353.0390       4.007367  398.4399       8.014733  307.6381       8.014733  199.5768 2.007932  175.3588 2.285238  24.21799       3.042056  
1 1 1 27 17 7  o 49.60507 3.343788  24.66842       2.344381  25.63571       4.688762  23.70112       4.688762  50.58007 4.634989  48.63008 4.820846  1.949993       6.687576  
1 1 1 27 17 8  o 286.9421 1.888536  824.0165       7.662123  842.8812       15.32425  805.1519       15.32425  290.2293 2.640024  283.6549 2.701213  6.574371       3.777073  
1 1 1 27 17 9  o 44.29825 3.874093  19.69852       2.425386  18.86941       4.850772  20.52763       4.850772  43.36242 5.593290  45.23408 5.361856  -1.871655      7.748187  
1 1 1 27 17 10 o 243.8090 1.746992  594.9247       6.022963  604.8503       12.04593  584.9993       12.04593  245.8445 2.449907  241.7735 2.491159  4.071030       3.493983  
1 1 1 27 17 11 o 145.1028 1.748158  210.9133       3.583282  222.4684       7.166563  199.3581       7.166563  149.0845 2.403523  141.1211 2.539153  7.963409       3.496315  
1 1 1 27 17 12 o 141.8468 1.851112  201.5453       3.711936  207.9828       7.423873  195.1078       7.423873  144.1160 2.575659  139.5777 2.659406  4.538330       3.702223  
1 1 1 27 17 13 o 155.5802 1.907994  242.5291       4.197967  240.9090       8.395933  244.1492       8.395933  155.0595 2.707326  156.1008 2.689266  -1.041321      3.815988  
1 1 1 27 17 14 o 64.06234 3.903942  41.46028       3.535631  40.19756       7.071262  42.72301       7.071262  63.07679 5.605281  65.04788 5.435429  -1.971088      7.807884  
1 1 1 27 17 15 o 174.0922 2.174560  304.2692       5.351098  315.4813       10.70220  293.0572       10.70220  177.3123 3.017894  170.8720 3.131640  6.440292       4.349121  
1 1 1 27 17 16 o 26.17474 7.516615  3.540396       4.355212  3.059131       8.710423  4.021661       8.710423  25.80056 10.57331  26.54892 10.68658  -0.7483654     15.03323  
1 1 1 27 17 17 o 67.50951 6.776752  50.08017       5.908603  69.19736       11.81721  30.96298       11.81721  82.07986 7.198602  52.93915 11.48380  29.14071       13.55350  
1 1 1 27 17 18 o 70.07707 7.281929  55.14537       6.561408  33.06911       13.12282  77.22162       13.12282  53.90898 12.41880  86.24516 7.607857  -32.33617      14.56386  
1 1 1 27 17 19 o 133.2344 3.897048  182.1660       7.338103  189.5708       14.67621  174.7612       14.67621  136.0133 5.395137  130.4556 5.624983  5.557739       7.794096  
1 1 1 27 17 20 o 67.88992 8.898653  56.38426       8.143388  81.10034       16.28678  31.66820       16.28678  86.12591 9.455214  49.65392 15.07790  36.47199       17.79731  
1 1 1 27 18 0  o 323.4377 4.126569  1047.319       26.68401  1047.319       26.68401  1047.319       26.68401  323.4377 4.126569  323.4377 4.126569  0.000000       0.000000  
1 1 1 27 18 1  o 179.6311 1.401280  322.7907       3.559456  327.6987       7.118913  317.8828       7.118913  180.9972 1.966581  178.2650 1.996722  2.732239       2.802559  
1 1 1 27 18 2  o 133.4799 1.577476  178.4160       2.973361  167.1944       5.946723  189.6375       5.946723  129.2765 2.300001  137.6834 2.159564  -8.406937      3.154952  
1 1 1 27 18 3  o 364.9154 2.177348  1332.704       11.23588  1350.230       22.47175  1315.179       22.47175  367.3168 3.058906  362.5141 3.099431  4.802673       4.354696  
1 1 1 27 18 4  o 213.2125 1.559742  454.7718       4.703057  455.2483       9.406114  454.2953       9.406114  213.3242 2.204652  213.1007 2.206964  0.2234955      3.119484  
1 1 1 27 18 5  o 99.88356 1.842132  100.1984       2.587396  87.92381       5.174792  112.4731       5.174792  93.73908 2.760211  106.0280 2.440294  -12.28895      3.684264  
1 1 1 27 18 6  o 47.16824 3.496449  22.46222       2.306261  26.31234       4.612522  18.61210       4.612522  51.24950 4.500066  43.08697 5.352572  8.162533       6.992898  
1 1 1 27 18 7  o 189.3524 1.567879  358.7522       4.197967  365.5900       8.395933  351.9145       8.395933  191.1579 2.196072  187.5468 2.238357  3.611145       3.135757  
1 1 1 27 18 8  f 97.29666 1.939518  94.74253       2.668401  96.49129       5.336802  92.99377       5.336802  98.19534 2.717442  96.39799 2.768109  1.797340       3.879035  
1 1 1 27 18 9  o 291.2234 1.876948  849.3187       7.724069  888.4822       15.44814  810.1552       15.44814  297.9474 2.592427  284.4994 2.714968  13.44794       3.753896  
1 1 1 27 18 10 o 209.3750 1.689798  438.7471       5.003252  433.6152       10.00650  443.8790       10.00650  208.1495 2.403682  210.6006 2.375707  -2.451065      3.379596  
1 1 1 27 18 11 o 214.3635 1.767431  460.4135       5.351098  433.3388       10.70220  487.4883       10.70220  208.0484 2.572045  220.6786 2.424837  -12.63028      3.534862  
1 1 1 27 18 12 o 81.68077 2.667201  67.16270       3.063896  59.03837       6.127792  75.28703       6.127792  76.70755 3.994257  86.65399 3.535782  -9.946442      5.334402  
1 1 1 27 18 13 o 94.54466 2.586369  90.70657       3.402211  109.3282       6.804423  72.08495       6.804423  104.3927 3.259051  84.69661 4.016940  19.69611       5.172738  
1 1 1 27 18 14 o 92.90877 2.911560  87.31866       3.792941  100.3605       7.585882  74.27685       7.585882  99.92738 3.795698  85.89015 4.416038  14.03722       5.823119  
1 1 1 27 18 15 o 42.17036 6.930892  19.14101       4.059782  18.05936       8.119563  20.22267       8.119563  40.93386 9.991603  43.40686 9.608169  -2.472996      13.86178  
1 1 1 27 18 16 o 110.8284 3.538948  124.3427       5.546463  125.8342       11.09293  122.8513       11.09293  111.5012 4.974351  110.1555 5.035121  1.345726       7.077897  
1 1 1 27 18 17 o 129.0303 3.220101  168.3570       5.875248  165.4409       11.75050  171.2732       11.75050  127.9003 4.593617  130.1603 4.513855  -2.260071      6.440202  
1 1 1 27 18 18 o 41.99517 9.389227  19.60322       6.461343  26.35046       12.92269  12.85597       12.92269  47.76818 13.12738  36.22216 13.42767  11.54603       18.77845  
1 1 1 27 18 19 o 82.21525 6.525333  73.19996       7.495348  85.36024       14.99070  61.03968       14.99070  89.61064 8.364350  74.81985 10.01786  14.79079       13.05067  
1 1 1 27 18 20 o 44.80784 14.92240  25.87396       15.66733  25.87396       15.66733  ?              ?         44.80784 14.92240  ?        ?         ?              ?         
1 1 1 27 19 0  o 9.045635 6.549461  -9.291754      5.651292  -9.291754      5.651292  -9.291754      5.651292  9.045635 6.549461  9.045635 6.549461  0.000000       0.000000  
1 1 1 27 19 1  o 294.6458 1.875402  868.6551       7.814603  872.1478       15.62921  865.1624       15.62921  295.2384 2.646879  294.0530 2.657549  1.185394       3.750804  
1 1 1 27 19 2  o 262.2060 1.799139  687.9090       6.671002  697.4438       13.34200  678.3743       13.34200  264.0242 2.526664  260.3878 2.561949  3.636353       3.598279  
1 1 1 27 19 3  o 139.2398 1.535341  194.8648       3.001951  221.5154       6.003902  168.2141       6.003902  148.8099 2.017306  129.6698 2.315074  19.14011       3.070683  
1 1 1 27 19 4  f 149.1837 1.492524  223.0497       3.140136  203.8754       6.280273  242.2241       6.280273  142.7573 2.199633  155.6102 2.017951  -12.85286      2.985048  
1 1 1 27 19 5  o 119.4511 1.681681  142.9453       2.835176  153.3664       5.670352  132.5242       5.670352  123.8132 2.289882  115.0891 2.463462  8.724121       3.363362  
1 1 1 27 19 6  o 117.1069 1.705880  138.4424       2.787526  164.3640       5.575052  112.5208       5.575052  128.1744 2.174791  106.0395 2.628763  22.13499       3.411761  
1 1 1 27 19 7  o 198.4551 1.686246  394.1037       4.731647  385.0598       9.463295  403.1477       9.463295  196.1765 2.411933  200.7337 2.357176  -4.557175      3.372492  
1 1 1 27 19 8  o 72.89720 2.697086  53.25843       2.777996  50.66150       5.555993  55.85535       5.555993  71.11598 3.906290  74.67843 3.719945  -3.562447      5.394172  
1 1 1 27 19 9  o 204.4358 1.729808  418.4005       4.998487  402.6522       9.996975  434.1489       9.996975  200.5842 2.491965  208.2875 2.399802  -7.703308      3.459616  
1 1 1 27 19 10 o 118.8476 1.815760  141.4634       3.049601  147.7341       6.099203  135.1926       6.099203  121.4858 2.510254  116.2095 2.624228  5.276299       3.631521  
1 1 1 27 19 11 o 45.95847 4.537726  21.38056       2.930476  24.13950       5.860952  18.62163       5.860952  48.96003 5.985446  42.95692 6.821896  6.003109       9.075452  
1 1 1 27 19 12 o 76.98834 3.116927  60.09620       3.345031  48.47913       6.690063  71.71327       6.690063  69.44365 4.816900  84.53304 3.957070  -15.08939      6.233854  
1 1 1 27 19 13 o 71.47833 3.594948  51.55732       3.626166  47.68814       7.252333  55.42650       7.252333  68.77180 5.272752  74.18488 4.888013  -5.413078      7.189895  
1 1 1 27 19 14 o 156.5058 2.152730  246.0647       4.755473  228.4628       9.510944  263.6666       9.510944  150.8824 3.151775  162.1292 2.933138  -11.24681      4.305459  
1 1 1 27 19 15 o 147.0867 2.290047  217.3889       4.760237  208.0400       9.520474  226.7379       9.520474  143.9086 3.307819  150.2647 3.167901  -6.356079      4.580094  
1 1 1 27 19 16 o 129.7912 3.204296  170.2630       5.875248  179.2784       11.75050  161.2477       11.75050  133.2642 4.408722  126.3181 4.651152  6.946075       6.408592  
1 1 1 27 19 17 o 36.93626 8.001575  13.85663       5.065197  4.536282       10.13039  23.17697       10.13039  28.22846 11.45774  45.64407 11.17233  -17.41561      16.00315  
1 1 1 27 19 18 o 69.53857 7.625409  55.20255       6.866368  33.24065       13.73274  77.16444       13.73274  53.33340 12.97918  85.74374 8.008012  -32.41033      15.25082  
1 1 1 27 19 19 o 23.26067 7.866840  -19.46503      7.552527  -32.57355      15.10505  -6.356512      15.10505  19.76564 9.825720  26.75569 12.28837  -6.990042      15.73368  
1 1 1 27 19 20 o 25.43884 11.94962  -8.491233      15.66733  -8.491233      15.66733  ?              ?         25.43884 11.94962  ?        ?         ?              ?         
1 1 1 27 20 0  o 319.8271 3.834666  1023.932       24.52070  1023.932       24.52070  1023.932       24.52070  319.8271 3.834666  319.8271 3.834666  0.000000       0.000000  
1 1 1 27 20 1  o 331.2675 2.046182  1098.748       9.577654  1045.823       19.15531  1151.672       19.15531  323.2792 2.962657  339.2557 2.823137  -15.97647      4.092363  
1 1 1 27 20 2  o 311.6407 2.029419  971.8554       8.943909  980.7613       17.88782  962.9497       17.88782  313.0696 2.856844  310.2119 2.883161  2.857697       4.058839  
1 1 1 27 20 3  o 178.2636 1.928325  318.0162       4.860302  325.6783       9.720604  310.3541       9.720604  180.4127 2.693991  176.1145 2.759740  4.298203       3.856650  
1 1 1 27 20 4  o 267.5181 1.790010  716.1274       6.771068  730.5796       13.54214  701.6751       13.54214  270.2193 2.505768  264.8169 2.556887  5.402374       3.580020  
1 1 1 27 20 5  o 161.6083 1.578035  261.5033       3.602341  276.1223       7.204682  246.8843       7.204682  166.1313 2.168370  157.0853 2.293239  9.045959       3.156069  
1 1 1 27 20 6  o 51.51960 3.731853  27.89908       2.525451  16.17241       5.050902  39.62576       5.050902  40.13881 6.291793  62.90039 4.015001  -22.76157      7.463705  
1 1 1 27 20 7  o 58.14409 4.240101  38.68705       2.758936  63.21251       5.517872  14.16159       5.517872  79.45854 3.472171  36.82964 7.736785  42.62891       8.480202  
1 1 1 27 20 8  o 224.2011 1.855246  503.2366       5.880013  519.7664       11.76003  486.7068       11.76003  227.8875 2.580226  220.5147 2.666494  7.372757       3.710493  
1 1 1 27 20 9  o 80.29310 2.680925  64.78973       3.030541  57.72324       6.061082  71.85622       6.061082  75.89266 3.993194  84.69353 3.578244  -8.800873      5.361849  
1 1 1 27 20 10 o 74.15570 2.997207  55.57898       3.106781  65.27100       6.213562  45.88697       6.213562  80.69061 3.850239  67.62079 4.594417  13.06982       5.994415  
1 1 1 27 20 11 o 31.92236 6.331748  10.49253       3.106781  6.337452       6.213562  14.64762       6.213562  26.58221 9.369352  37.26252 8.519353  -10.68031      12.66350  
1 1 1 27 20 12 o 214.4912 1.801867  461.4286       5.455927  429.6221       10.91185  493.2349       10.91185  207.0768 2.634737  221.9055 2.458671  -14.82877      3.603734  
1 1 1 27 20 13 o 71.38330 3.554273  51.37148       3.588047  51.63356       7.176094  51.10941       7.176094  71.56687 5.013558  71.19974 5.039410  0.3671341      7.108545  
1 1 1 27 20 14 o 198.8779 2.067277  396.8484       5.813303  405.4636       11.62661  388.2333       11.62661  201.0438 2.891560  196.7119 2.955237  4.331879       4.134555  
1 1 1 27 20 15 o 96.81557 3.314180  94.74253       4.536282  92.03124       9.072563  97.45382       9.072563  95.41534 4.754248  98.21581 4.618688  -2.800461      6.628359  
1 1 1 27 20 16 o 73.21164 5.117924  55.02625       5.298682  54.41632       10.59736  55.63616       10.59736  72.79510 7.278900  73.62819 7.196540  -0.8330917     10.23585  
1 1 1 27 20 17 o 42.11780 8.197933  18.61210       5.908603  34.03164       11.81721  3.192551       11.81721  55.40212 11.05640  28.83348 12.10705  26.56864       16.39587  
1 1 1 27 20 18 o 37.33541 9.890412  14.05199       7.090323  16.27725       14.18065  11.82673       14.18065  38.92792 14.11036  35.74291 13.86285  3.185009       19.78082  
1 1 1 27 20 19 f 30.29570 13.36737  1.448561       15.81981  1.448561       15.81981  ?              ?         30.29570 13.36737  ?        ?         ?              ?         
1 1 1 27 21 0  o 61.13572 5.663674  38.37733       6.813953  38.37733       6.813953  38.37733       6.813953  61.13572 5.663674  61.13572 5.663674  0.000000       0.000000  
1 1 1 27 21 1  o 125.9731 1.676612  158.9080       2.982891  149.3733       5.965783  168.4428       5.965783  122.1886 2.441218  129.7575 2.298820  -7.568878      3.353225  
1 1 1 27 21 2  o 211.0881 1.580492  445.8183       4.717352  436.3979       9.434704  455.2387       9.434704  208.8567 2.258655  213.3195 2.211402  -4.462769      3.160984  
1 1 1 27 21 3  o 226.6152 1.741737  513.9531       5.579817  497.5234       11.15963  530.3828       11.15963  222.9902 2.502270  230.2402 2.423476  -7.250046      3.483474  
1 1 1 27 21 4  f 258.8701 1.748049  670.5502       6.399398  676.1537       12.79880  664.9464       12.79880  259.9525 2.461757  257.7878 2.482429  2.164673       3.496098  
1 1 1 27 21 5  o 177.6449 1.716717  316.4819       4.298031  346.7301       8.596063  286.2337       8.596063  186.1586 2.308801  169.1312 2.541241  17.02737       3.433434  
1 1 1 27 21 6  f 258.9371 1.810079  670.9171       6.628118  664.1650       13.25624  677.6691       13.25624  257.6334 2.572694  260.2409 2.546916  -2.607574      3.620157  
1 1 1 27 21 7  o 164.8124 1.674544  272.0578       3.897772  288.3398       7.795544  255.7758       7.795544  169.7520 2.296156  159.8729 2.438044  9.879105       3.349089  
1 1 1 27 21 8  o 300.0598 1.950887  901.3430       8.276809  922.7426       16.55362  879.9434       16.55362  303.6257 2.725991  296.4939 2.791561  7.131775       3.901774  
1 1 1 27 21 9  o 199.8814 1.773924  400.0076       5.012782  411.8677       10.02556  388.1475       10.02556  202.8481 2.471199  196.9146 2.545663  5.933563       3.547848  
1 1 1 27 21 10 o 128.8675 2.019459  166.3796       3.678581  172.3882       7.357163  160.3709       7.357163  131.1989 2.803821  126.5362 2.907138  4.662659       4.038918  
1 1 1 27 21 11 f 113.7697 2.183336  130.6611       3.473686  153.0328       6.947372  108.2894       6.947372  123.6017 2.810388  103.9377 3.342087  19.66401       4.366672  
1 1 1 27 21 12 o 205.4267 1.889847  423.2132       5.484517  445.6421       10.96903  400.7843       10.96903  210.8858 2.600704  199.9677 2.742702  10.91818       3.779693  
1 1 1 27 21 13 o 70.63623 3.899796  50.48996       3.888242  54.05418       7.776483  46.92574       7.776483  73.15917 5.314769  68.11329 5.708492  5.045883       7.799593  
1 1 1 27 21 14 o 19.17863 6.270905  -6.613822      4.045487  -3.831062      8.090974  -9.396584      8.090974  20.53754 9.273128  17.81971 8.444294  2.717833       12.54181  
1 1 1 27 21 15 o 96.41550 3.581209  94.19457       4.879362  98.36870       9.758724  90.02041       9.758724  98.58015 4.949639  94.25083 5.176996  4.329323       7.162417  
1 1 1 27 21 16 o 38.96119 8.048846  15.73404       5.222442  5.489282       10.44488  25.97879       10.44488  29.34988 11.74857  48.57251 11.00486  -19.22263      16.09769  
1 1 1 27 21 17 o 139.3947 3.272979  197.5188       6.427987  216.9505       12.85597  178.0872       12.85597  146.3647 4.391760  132.4247 4.854071  13.94005       6.545957  
1 1 1 27 21 18 o 107.0508 4.607855  118.9154       6.947372  130.9041       13.89474  106.9266       13.89474  112.6504 6.167199  101.4513 6.847991  11.19911       9.215711  
1 1 1 27 21 19 o 39.89281 14.68473  18.62163       15.41002  18.62163       15.41002  ?              ?         39.89281 14.68473  ?        ?         ?              ?         
1 1 1 27 22 0  o 196.4426 3.269369  386.4036       12.83692  386.4036       12.83692  386.4036       12.83692  196.4426 3.269369  196.4426 3.269369  0.000000       0.000000  
1 1 1 27 22 1  o 232.7890 1.664848  542.5717       5.474988  513.4957       10.94998  571.6477       10.94998  226.5439 2.416745  239.0341 2.290462  -12.49030      3.329696  
1 1 1 27 22 2  o 66.18044 2.571389  44.20492       2.377736  36.34743       4.755472  52.06241       4.755472  60.24402 3.946841  72.11684 3.297061  -11.87283      5.142778  
1 1 1 27 22 3  o 108.2473 1.971275  119.1679       2.944771  89.27708       5.889543  149.0588       5.889543  94.44055 3.118121  122.0540 2.412678  -27.61349      3.942550  
1 1 1 27 22 4  o 132.0432 1.868485  174.8279       3.478451  190.6096       6.956903  159.0462       6.956903  138.0192 2.520267  126.0673 2.759202  11.95190       3.736969  
1 1 1 27 22 5  o 311.8052 2.076491  974.5621       9.134509  1052.360       18.26902  896.7638       18.26902  324.2806 2.816853  299.3297 3.051655  24.95090       4.152982  
1 1 1 27 22 6  o 215.2869 1.656926  463.9778       5.041372  444.5175       10.08274  483.4380       10.08274  210.7673 2.391913  219.8065 2.293550  -9.039215      3.313853  
1 1 1 27 22 7  o 132.2333 1.877936  175.0138       3.511806  173.9416       7.023612  176.0859       7.023612  131.8279 2.663932  132.6387 2.647649  -0.8107758     3.755872  
1 1 1 27 22 8  o 117.5556 2.003849  138.3709       3.330736  135.2498       6.661473  141.4920       6.661473  116.2281 2.865689  118.8831 2.801690  -2.654991      4.007697  
1 1 1 27 22 9  o 63.64727 3.314361  41.22203       2.920946  50.82351       5.841892  31.62055       5.841892  71.18999 4.103029  56.10455 5.206256  15.08545       6.628722  
1 1 1 27 22 10 o 102.4262 2.339230  105.1636       3.387916  107.2792       6.775833  103.0479       6.775833  103.4590 3.274647  101.3934 3.341357  2.065536       4.678459  
1 1 1 27 22 11 o 200.6603 1.813881  403.3812       5.146202  393.4748       10.29240  413.2877       10.29240  198.1919 2.596576  203.1288 2.533468  -4.936935      3.627763  
1 1 1 27 22 12 o 171.4146 1.972958  295.0489       4.769767  320.0938       9.539534  270.0041       9.539534  178.7200 2.668850  164.1093 2.906458  14.61069       3.945917  
1 1 1 27 22 13 o 66.16881 4.400064  44.69095       4.074077  37.33855       8.148153  52.04335       8.148153  60.61302 6.721455  71.72460 5.680167  -11.11158      8.800128  
1 1 1 27 22 14 o 85.57500 3.824518  74.13391       4.626817  76.40205       9.253633  71.86575       9.253633  86.90024 5.324286  84.24976 5.491786  2.650475       7.649035  
1 1 1 27 22 15 o 110.6063 3.180262  124.0711       4.941307  107.7081       9.882613  140.4341       9.882613  103.2093 4.787657  118.0032 4.187434  -14.79394      6.360524  
1 1 1 27 22 16 o 51.96986 7.390413  29.53824       5.246267  31.19170       10.49253  27.88479       10.49253  53.57841 10.16005  50.36131 10.73528  3.217106       14.78083  
1 1 1 27 22 17 o 92.39732 4.894886  88.23354       6.394632  90.36350       12.78926  86.10358       12.78926  93.54993 6.835529  91.24471 7.008223  2.305222       9.789772  
1 1 1 27 22 18 o 59.06190 8.157628  39.93072       6.647178  31.83974       13.29436  48.02169       13.29436  51.75940 12.87881  66.36439 10.01618  -14.60498      16.31526  
1 1 1 27 22 19 o 34.58274 14.16621  10.55925       15.62921  10.55925       15.62921  ?              ?         34.58274 14.16621  ?        ?         ?              ?         
1 1 1 27 23 0  o 95.05052 3.894314  90.86859       7.376224  90.86859       7.376224  90.86859       7.376224  95.05052 3.894314  95.05052 3.894314  0.000000       0.000000  
1 1 1 27 23 1  o 387.1471 2.369881  1500.532       12.97510  1490.788       25.95020  1510.277       25.95020  385.8886 3.362395  388.4056 3.340606  -2.516998      4.739763  
1 1 1 27 23 2  f 137.6440 1.656131  190.0378       3.211612  209.0692       6.423223  171.0064       6.423223  144.5573 2.221688  130.7308 2.456661  13.82655       3.312262  
1 1 1 27 23 3  o 188.8816 1.541414  356.9463       4.116962  363.0169       8.233924  350.8757       8.233924  190.4886 2.161265  187.2746 2.198356  3.213974       3.082829  
1 1 1 27 23 4  o 55.35044 3.370588  30.83909       2.620751  26.74119       5.241503  34.93699       5.241503  51.64867 5.074189  59.05222 4.438023  -7.403557      6.741175  
1 1 1 27 23 5  o 98.53374 2.224075  97.93509       3.063896  80.97644       6.127792  114.8937       6.127792  89.92824 3.407046  107.1392 2.859733  -17.21100      4.448150  
1 1 1 27 23 6  o 45.62957 4.792489  21.85230       2.887591  28.95215       5.775182  14.75245       5.775182  53.70856 5.376408  37.55057 7.935115  16.15799       9.584978  
1 1 1 27 23 7  o 226.9427 1.728269  515.4589       5.546463  522.0250       11.09293  508.8927       11.09293  228.3894 2.428511  225.4961 2.459671  2.893341       3.456537  
1 1 1 27 23 8  o 238.0736 1.847028  567.4307       6.218328  560.2499       12.43666  574.6116       12.43666  236.5655 2.628586  239.5817 2.595494  -3.016220      3.694056  
1 1 1 27 23 9  o 59.75938 3.813523  36.30931       3.168726  28.72343       6.337452  43.89520       6.337452  53.41236 5.932571  66.10641 4.793373  -12.69405      7.627046  
1 1 1 27 23 10 o 68.04581 3.698857  46.57313       3.559456  46.63031       7.118913  46.51595       7.118913  68.08782 5.227743  68.00378 5.234203  0.8403778E-01  7.397715  
1 1 1 27 23 11 o 122.3632 2.227745  150.3024       3.850122  159.0558       7.700243  141.5491       7.700243  125.9399 3.057110  118.7864 3.241215  7.153542       4.455490  
1 1 1 27 23 12 o 150.4180 2.062828  227.0666       4.383801  215.4829       8.767603  238.6504       8.767603  146.5675 2.990978  154.2685 2.841669  -7.701004      4.125655  
1 1 1 27 23 13 o 30.16504 7.356448  8.724718       3.821531  9.539534       7.643063  7.909904       7.643063  31.03888 10.42258  29.29119 10.38456  1.747688       14.71290  
1 1 1 27 23 14 o 79.80215 3.784446  65.08993       4.217027  53.36802       8.434053  76.81183       8.434053  72.45779 5.819977  87.14650 4.839009  -14.68871      7.568893  
1 1 1 27 23 15 o 173.7294 2.493403  303.8118       6.123027  314.7665       12.24605  292.8570       12.24605  176.8822 3.461641  170.5766 3.589606  6.305634       4.986805  
1 1 1 27 23 16 o 85.30292 4.758972  75.12502       5.703707  65.52830       11.40741  84.72173       11.40741  79.67784 7.158461  90.92800 6.272774  -11.25016      9.517943  
1 1 1 27 23 17 o 109.3177 4.127821  122.7512       6.380337  125.4434       12.76067  120.0590       12.76067  110.5491 5.771499  108.0863 5.903003  2.462753       8.255643  
1 1 1 27 23 18 o 43.67830 8.708427  21.98095       6.285037  8.500763       12.57007  35.46114       12.57007  32.11018 12.87392  55.24641 11.73068  -23.13623      17.41685  
1 1 1 27 23 19 o 37.55143 14.48522  17.54474       15.43861  17.54474       15.43861  ?              ?         37.55143 14.48522  ?        ?         ?              ?         
1 1 1 27 24 0  o 217.6685 3.202029  474.3274       13.93286  474.3274       13.93286  474.3274       13.93286  217.6685 3.202029  217.6685 3.202029  0.000000       0.000000  
1 1 1 27 24 1  o 101.6300 1.921727  103.4339       2.758936  97.78737       5.517872  109.0804       5.517872  98.85197 2.790977  104.4079 2.642458  -5.555969      3.843454  
1 1 1 27 24 2  o 180.0743 1.601987  324.4680       4.078841  332.0444       8.157682  316.8917       8.157682  182.1779 2.238933  177.9706 2.291863  4.207352       3.203975  
1 1 1 27 24 3  o 130.5012 1.834412  170.5013       3.383151  163.1346       6.766303  177.8680       6.766303  127.6787 2.649739  133.3236 2.537549  -5.644928      3.668824  
1 1 1 27 24 4  o 181.9213 1.602389  331.1962       4.121727  323.5341       8.243454  338.8583       8.243454  179.8154 2.292199  184.0272 2.239738  -4.211777      3.204778  
1 1 1 27 24 5  o 215.1689 1.769751  463.3917       5.384452  472.6501       10.76890  454.1332       10.76890  217.3203 2.477657  213.0175 2.527704  4.302841       3.539502  
1 1 1 27 24 6  o 163.7964 1.757542  268.7986       4.064547  251.0489       8.129093  286.5482       8.129093  158.3782 2.566355  169.2146 2.402007  -10.83640      3.515084  
1 1 1 27 24 7  o 82.91611 2.795887  68.92099       3.278321  68.12047       6.556643  69.72150       6.556643  82.43339 3.976934  83.39884 3.930896  -0.9654541     5.591775  
1 1 1 27 24 8  o 60.97689 4.051139  38.90147       3.283086  53.97794       6.566173  23.82501       6.566173  73.33933 4.476570  48.61445 6.753314  24.72488       8.102279  
1 1 1 27 24 9  o 239.2307 1.893495  573.2964       6.404162  589.6880       12.80832  556.9048       12.80832  242.6566 2.639188  235.8048 2.715875  6.851791       3.786989  
1 1 1 27 24 10 o 164.5077 1.958313  271.5622       4.545812  292.4663       9.091624  250.6581       9.091624  170.8612 2.660529  158.1542 2.874292  12.70705       3.916627  
1 1 1 27 24 11 o 68.29099 3.790165  47.04486       3.659522  48.26947       7.319043  45.82026       7.319043  69.18760 5.289274  67.39439 5.430009  1.793213       7.580331  
1 1 1 27 24 12 o 34.36061 7.401166  12.34135       3.940656  10.63548       7.881313  14.04722       7.881313  32.41724 10.58379  36.30398 10.34855  -3.886745      14.80233  
1 1 1 27 24 13 o 66.31189 4.606875  45.14840       4.250381  35.98529       8.500763  54.31149       8.500763  59.40280 7.155187  73.22099 5.804868  -13.81818      9.213750  
1 1 1 27 24 14 o 20.73790 6.776252  -6.813953      4.679232  -6.537583      9.358463  -7.090323      9.358463  20.86437 9.619139  20.61142 9.546860  0.2529507      13.55250  
1 1 1 27 24 15 o 49.12948 7.878977  26.78884       5.393982  33.01193       10.78796  20.56575       10.78796  55.22528 10.14659  43.03367 12.05653  12.19162       15.75795  
1 1 1 27 24 16 o 53.56219 7.646113  31.95887       5.670352  22.25256       11.34070  41.66518       11.34070  44.24172 12.35069  62.88268 9.017353  -18.64096      15.29223  
1 1 1 27 24 17 o 87.98432 5.185487  80.74772       6.447048  84.33100       12.89410  77.16444       12.89410  90.02064 7.161744  85.94801 7.501102  4.072632       10.37097  
1 1 1 27 24 18 o 35.07989 13.75051  12.26511       14.02816  12.26511       14.02816  ?              ?         35.07989 13.75051  ?        ?         ?              ?         
1 1 1 27 25 0  o 140.3650 3.327586  197.4712       9.329873  197.4712       9.329873  197.4712       9.329873  140.3650 3.327586  140.3650 3.327586  0.000000       0.000000  
1 1 1 27 25 1  o 56.00618 3.438177  32.88328       2.539746  46.35394       5.079492  19.41262       5.079492  68.03223 3.733151  43.98013 5.774757  24.05209       6.876353  
1 1 1 27 25 2  o 223.9740 1.709352  503.5321       5.389217  447.7005       10.77843  559.3636       10.77843  211.5101 2.547971  236.4379 2.279338  -24.92772      3.418704  
1 1 1 27 25 3  o 227.8323 1.702148  520.3430       5.470222  563.4329       10.94044  477.2531       10.94044  237.2888 2.305301  218.3758 2.504958  18.91299       3.404296  
1 1 1 27 25 4  o 132.7764 1.818096  176.6815       3.406976  189.6661       6.813953  163.6969       6.813953  137.6661 2.474812  127.8868 2.664057  9.779327       3.636192  
1 1 1 27 25 5  o 290.6241 2.046307  845.5496       8.410229  852.0014       16.82046  839.0977       16.82046  291.7340 2.882841  289.5141 2.904947  2.219971       4.092614  
1 1 1 27 25 6  o 193.7910 1.777604  376.5019       4.860302  406.2260       9.720604  346.7778       9.720604  201.4601 2.412538  186.1219 2.611354  15.33823       3.555209  
1 1 1 27 25 7  o 163.8785 1.873998  270.7426       4.298031  315.5385       8.596063  225.9468       8.596063  177.5459 2.420801  150.2111 2.861327  27.33476       3.747996  
1 1 1 27 25 8  o 181.5843 1.835355  330.2146       4.712587  324.2108       9.425174  336.2185       9.425174  179.9311 2.619107  183.2375 2.571847  -3.306412      3.670711  
1 1 1 27 25 9  o 160.1665 1.967069  256.9861       4.455277  253.4219       8.910554  260.5503       8.910554  159.0538 2.801113  161.2792 2.762463  -2.225327      3.934137  
1 1 1 27 25 10 o 80.68303 3.191702  66.07629       3.592812  78.44147       7.185624  53.71110       7.185624  88.34584 4.066758  73.02021 4.920298  15.32563       6.383404  
1 1 1 27 25 11 o 124.7276 2.450305  156.2158       4.321856  158.2267       8.643713  154.2050       8.643713  125.5336 3.442788  123.9215 3.487577  1.612175       4.900610  
1 1 1 27 25 12 o 26.67030 7.347634  4.293267       4.112197  7.852723       8.224394  0.7338103      8.224394  29.69822 10.74775  23.64238 10.02182  6.055847       14.69527  
1 1 1 27 25 13 o 112.2275 3.011564  126.9968       4.779297  129.0267       9.558595  124.9669       9.558595  113.1319 4.224537  111.3231 4.293176  1.808739       6.023128  
1 1 1 27 25 14 o 50.44287 6.870214  27.32252       4.774532  32.98335       9.549064  21.66170       9.549064  56.44997 8.457989  44.43578 10.82875  12.01418       13.74043  
1 1 1 27 25 15 o 37.72731 8.466150  14.75245       5.389217  7.328573       10.77843  22.17632       10.77843  30.91893 12.06660  44.53568 11.87855  -13.61675      16.93230  
1 1 1 27 25 16 o 35.57324 8.887876  12.66061       5.727532  17.65910       11.45506  7.662123       11.45506  39.74382 12.74525  31.40267 12.39096  8.341150       17.77575  
1 1 1 27 25 17 o 25.53234 8.140616  -7.485817      6.632883  4.641112       13.26577  -19.61275      13.26577  30.33593 12.78694  20.72875 10.07833  9.607182       16.28123  
1 1 1 27 25 18 o 55.48922 8.068024  36.88111       7.533468  71.37972       15.06694  2.382501       15.06694  80.86221 9.316427  30.11624 13.17483  50.74596       16.13605  
1 1 1 27 26 0  o 116.8807 3.853623  137.1844       8.986794  137.1844       8.986794  137.1844       8.986794  116.8807 3.853623  116.8807 3.853623  0.000000       0.000000  
1 1 1 27 26 1  o 125.0762 1.772599  156.5684       3.135371  157.8645       6.270743  155.2724       6.270743  125.5943 2.496427  124.5581 2.517196  1.036224       3.545197  
1 1 1 27 26 2  o 67.06905 2.880438  45.09598       2.730346  43.23763       5.460692  46.95433       5.460692  65.68364 4.156813  68.45444 3.988559  -2.770805      5.760877  
1 1 1 27 26 3  o 141.6425 1.824651  200.8020       3.654756  198.0907       7.309513  203.5132       7.309513  140.6854 2.597823  142.5995 2.562951  -1.914185      3.649302  
1 1 1 27 26 4  o 68.09032 3.082875  46.48259       2.968596  46.22052       5.937192  46.74467       5.937192  67.89787 4.372149  68.28277 4.347504  -0.3848953     6.165751  
1 1 1 27 26 5  o 265.1362 2.044423  705.2679       7.643063  642.7797       15.28613  767.7562       15.28613  253.3520 3.016776  276.9204 2.760022  -23.56834      4.088846  
1 1 1 27 26 6  o 218.4621 1.865229  478.1727       5.756122  451.9128       11.51224  504.4327       11.51224  212.4519 2.709377  224.4723 2.564291  -12.02036      3.730457  
1 1 1 27 26 7  o 215.2669 1.956565  464.1160       5.956253  459.9180       11.91251  468.3139       11.91251  214.2918 2.779506  216.2419 2.754439  -1.950119      3.913130  
1 1 1 27 26 8  o 281.8134 2.014145  797.3135       8.000438  872.3289       16.00088  722.2981       16.00088  295.1228 2.710885  268.5040 2.979635  26.61880       4.028290  
1 1 1 27 26 9  o 135.5651 2.245005  184.4675       4.298031  195.7177       8.596063  173.2173       8.596063  139.7144 3.076298  131.4157 3.270562  8.298721       4.490009  
1 1 1 27 26 10 o 200.6097 1.953984  403.4622       5.541698  415.4701       11.08340  391.4544       11.08340  203.6025 2.721822  197.6169 2.804264  5.985657       3.907967  
1 1 1 27 26 11 o 100.6465 2.889513  102.2141       4.093137  113.6644       8.186274  90.76376       8.186274  106.3349 3.849290  94.95811 4.310465  11.37675       5.779026  
1 1 1 27 26 12 o 71.45232 4.250107  51.80510       4.288502  48.64114       8.577003  54.96906       8.577003  69.23828 6.193831  73.66636 5.821520  -4.428078      8.500214  
1 1 1 27 26 13 o 114.7689 3.032883  133.6869       4.879362  153.8810       9.758724  113.4928       9.758724  123.5666 3.948771  105.9712 4.604424  17.59542       6.065766  
1 1 1 27 26 14 o 79.99685 4.414515  65.79038       4.931777  54.07325       9.863553  77.50751       9.863553  72.67335 6.786225  87.32035 5.647913  -14.64700      8.829030  
1 1 1 27 26 15 o 106.7089 3.742412  116.9760       5.565523  139.4621       11.13105  94.48999       11.13105  117.2451 4.746912  96.17278 5.787004  21.07231       7.484824  
1 1 1 27 26 16 o 43.08104 8.979684  21.40915       6.018198  15.26707       12.03640  27.55124       12.03640  37.43143 13.05509  48.73065 12.33302  -11.29922      17.95937  
1 1 1 27 26 17 o 79.37715 6.122226  67.91557       6.775833  80.15686       13.55167  55.67429       13.55167  87.08799 7.780444  71.66631 9.454698  15.42168       12.24445  
1 1 1 27 26 18 o 24.79478 11.64622  -9.148804      14.87634  -9.148804      14.87634  ?              ?         24.79478 11.64622  ?        ?         ?              ?         
1 1 1 27 27 0  o 34.11871 15.53154  17.04918       11.40741  17.04918       11.40741  17.04918       11.40741  34.11871 15.53154  34.11871 15.53154  0.000000       0.000000  
1 1 1 27 27 1  o 47.03240 9.954303  24.96861       8.233924  24.96861       8.233924  24.96861       8.233924  47.03240 9.954303  47.03240 9.954303  0.000000       0.000000  
1 1 1 27 27 2  o 13.76346 9.472169  -4.774532      8.100503  -4.774532      8.100503  -4.774532      8.100503  13.76346 9.472169  13.76346 9.472169  0.000000       0.000000  
1 1 1 27 27 3  o 79.73196 5.417469  64.58484       8.557944  64.58484       8.557944  64.58484       8.557944  79.73196 5.417469  79.73196 5.417469  0.000000       0.000000  
1 1 1 27 27 4  o 32.78527 13.42062  15.19082       8.634183  15.19082       8.634183  15.19082       8.634183  32.78527 13.42062  32.78527 13.42062  0.000000       0.000000  
1 1 1 27 27 5  o 171.6024 3.981095  295.3444       13.64697  295.3444       13.64697  295.3444       13.64697  171.6024 3.981095  171.6024 3.981095  0.000000       0.000000  
1 1 1 27 27 6  o 15.44121 10.54944  -4.688762      9.663424  -4.688762      9.663424  -4.688762      9.663424  15.44121 10.54944  15.44121 10.54944  0.000000       0.000000  
1 1 1 27 27 7  o 38.39508 14.43589  20.17502       10.32100  20.17502       10.32100  20.17502       10.32100  38.39508 14.43589  38.39508 14.43589  0.000000       0.000000  
1 1 1 27 27 8  o 40.32966 14.53640  21.91901       10.71172  21.91901       10.71172  21.91901       10.71172  40.32966 14.53640  40.32966 14.53640  0.000000       0.000000  
1 1 1 27 27 9  o 47.01125 13.41781  27.31299       10.92138  27.31299       10.92138  27.31299       10.92138  47.01125 13.41781  47.01125 13.41781  0.000000       0.000000  
1 1 1 27 27 10 f 86.57877 6.876485  76.97384       11.76003  76.97384       11.76003  76.97384       11.76003  86.57877 6.876485  86.57877 6.876485  0.000000       0.000000  
1 1 1 27 27 11 f 170.7177 4.604449  293.2478       15.69592  293.2478       15.69592  293.2478       15.69592  170.7177 4.604449  170.7177 4.604449  0.000000       0.000000  
1 1 1 27 27 12 o 67.54065 9.205177  47.62143       12.23652  47.62143       12.23652  47.62143       12.23652  67.54065 9.205177  67.54065 9.205177  0.000000       0.000000  
1 1 1 27 27 13 o 158.2464 5.097416  252.7738       16.09618  252.7738       16.09618  252.7738       16.09618  158.2464 5.097416  158.2464 5.097416  0.000000       0.000000  
1 1 1 27 27 14 o 140.6479 5.619650  200.4446       15.75310  200.4446       15.75310  200.4446       15.75310  140.6479 5.619650  140.6479 5.619650  0.000000       0.000000  
1 1 1 27 27 15 f 76.20351 10.33076  63.14580       15.29566  63.14580       15.29566  63.14580       15.29566  76.20351 10.33076  76.20351 10.33076  0.000000       0.000000  
1 1 1 27 27 16 o 105.5355 9.340588  117.8290       19.42215  117.8290       19.42215  117.8290       19.42215  105.5355 9.340588  105.5355 9.340588  0.000000       0.000000  
1 1 1 28 0  0  o 480.9927 7.458730  2316.734       71.71327  2316.734       71.71327  2316.734       71.71327  480.9927 7.458730  480.9927 7.458730  0.000000       0.000000  
1 1 1 28 0  1  o 208.3389 3.006704  434.4157       12.52242  434.4157       12.52242  434.4157       12.52242  208.3389 3.006704  208.3389 3.006704  0.000000       0.000000  
1 1 1 28 0  2  o 41.88919 3.801393  17.98312       3.135371  17.98312       3.135371  17.98312       3.135371  41.88919 3.801393  41.88919 3.801393  0.000000       0.000000  
1 1 1 28 0  3  o 190.9864 2.483410  364.9991       9.482354  364.9991       9.482354  364.9991       9.482354  190.9864 2.483410  190.9864 2.483410  0.000000       0.000000  
1 1 1 28 0  4  o 154.3898 3.166472  238.7266       9.768253  238.7266       9.768253  238.7266       9.768253  154.3898 3.166472  154.3898 3.166472  0.000000       0.000000  
1 1 1 28 0  5  o 195.7739 3.683012  383.8304       14.40936  383.8304       14.40936  383.8304       14.40936  195.7739 3.683012  195.7739 3.683012  0.000000       0.000000  
1 1 1 28 0  6  o 291.2051 4.145003  848.9708       24.12997  848.9708       24.12997  848.9708       24.12997  291.2051 4.145003  291.2051 4.145003  0.000000       0.000000  
1 1 1 28 0  7  o 493.2254 6.357308  2437.527       62.68836  2437.527       62.68836  2437.527       62.68836  493.2254 6.357308  493.2254 6.357308  0.000000       0.000000  
1 1 1 28 0  8  o 48.16173 8.605478  25.17827       7.547763  25.17827       7.547763  25.17827       7.547763  48.16173 8.605478  48.16173 8.605478  0.000000       0.000000  
1 1 1 28 0  9  o 191.1003 3.545928  365.7520       13.54214  365.7520       13.54214  365.7520       13.54214  191.1003 3.545928  191.1003 3.545928  0.000000       0.000000  
1 1 1 28 0  10 o 645.9205 8.256492  4187.055       106.6217  4187.055       106.6217  4187.055       106.6217  645.9205 8.256492  645.9205 8.256492  0.000000       0.000000  
1 1 1 28 0  11 o 435.7701 5.897300  1903.047       51.37625  1903.047       51.37625  1903.047       51.37625  435.7701 5.897300  435.7701 5.897300  0.000000       0.000000  
1 1 1 28 0  12 o 224.2769 3.726736  503.8608       16.70610  503.8608       16.70610  503.8608       16.70610  224.2769 3.726736  224.2769 3.726736  0.000000       0.000000  
1 1 1 28 0  13 o 58.67044 5.456511  35.38490       6.299332  35.38490       6.299332  35.38490       6.299332  58.67044 5.456511  58.67044 5.456511  0.000000       0.000000  
1 1 1 28 0  14 o 148.6001 3.377216  221.4201       10.02556  221.4201       10.02556  221.4201       10.02556  148.6001 3.377216  148.6001 3.377216  0.000000       0.000000  
1 1 1 28 0  15 f 36.12138 13.32310  17.73534       8.881963  17.73534       8.881963  17.73534       8.881963  36.12138 13.32310  36.12138 13.32310  0.000000       0.000000  
1 1 1 28 0  16 o 21.86976 12.96285  5.880013       9.625304  5.880013       9.625304  5.880013       9.625304  21.86976 12.96285  21.86976 12.96285  0.000000       0.000000  
1 1 1 28 0  17 o 55.71227 14.18834  37.35761       13.64697  37.35761       13.64697  37.35761       13.64697  55.71227 14.18834  55.71227 14.18834  0.000000       0.000000  
1 1 1 28 0  18 o 90.88243 7.366374  85.27448       13.21811  85.27448       13.21811  85.27448       13.21811  90.88243 7.366374  90.88243 7.366374  0.000000       0.000000  
1 1 1 28 0  19 f 17.31029 12.29384  -16.49644      16.56315  -16.49644      16.56315  -16.49644      16.56315  17.31029 12.29384  17.31029 12.29384  0.000000       0.000000  
1 1 1 28 0  20 o 22.23319 14.79765  -0.8005202     16.91576  -0.8005202     16.91576  -0.8005202     16.91576  22.23319 14.79765  22.23319 14.79765  0.000000       0.000000  
1 1 1 28 1  0  o 274.0538 3.264598  751.5647       17.88782  751.5647       17.88782  751.5647       17.88782  274.0538 3.264598  274.0538 3.264598  0.000000       0.000000  
1 1 1 28 1  1  o 248.9989 1.527513  621.1847       5.365392  570.3326       10.73078  672.0368       10.73078  238.7876 2.246931  259.2102 2.069900  -20.42261      3.055026  
1 1 1 28 1  2  o 344.3121 1.935421  1186.652       9.415645  1128.438       18.83129  1244.866       18.83129  335.8585 2.803456  352.7658 2.669092  -16.90732      3.870842  
1 1 1 28 1  3  o 209.8235 1.377299  440.5816       4.083606  461.0901       8.167212  420.0731       8.167212  214.7106 1.901912  204.9364 1.992621  9.774185       2.754598  
1 1 1 28 1  4  o 259.0799 1.777619  672.0607       6.504228  631.6105       13.00846  712.5107       13.00846  251.2734 2.588506  266.8864 2.437078  -15.61299      3.555237  
1 1 1 28 1  5  o 305.6544 2.097520  935.9559       9.048738  867.9261       18.09748  1003.986       18.09748  294.5259 3.072307  316.7830 2.856447  -22.25714      4.195039  
1 1 1 28 1  6  o 270.8467 1.924852  734.0104       7.371458  750.5164       14.74292  717.5044       14.74292  273.8939 2.691356  267.7996 2.752602  6.094238       3.849703  
1 1 1 28 1  7  o 159.3398 1.590414  254.0128       3.583282  248.7998       7.166563  259.2256       7.166563  157.7040 2.272156  160.9756 2.225978  -3.271576      3.180829  
1 1 1 28 1  8  o 367.7729 2.536932  1353.970       13.19429  1367.994       26.38858  1339.947       26.38858  369.6795 3.569116  365.8664 3.606313  3.813080       5.073863  
1 1 1 28 1  9  o 198.8115 1.994103  397.2200       5.570287  345.1672       11.14057  449.2729       11.14057  185.7205 2.999286  211.9025 2.628703  -26.18202      3.988207  
1 1 1 28 1  10 o 97.11147 2.545569  94.47569       3.492747  99.16922       6.985494  89.78217       6.985494  99.52804 3.509309  94.69491 3.688421  4.833130       5.091139  
1 1 1 28 1  11 o 185.2247 1.836103  345.8773       4.755473  405.4540       9.510944  286.3004       9.510944  201.3070 2.362298  169.1424 2.811519  32.16461       3.672205  
1 1 1 28 1  12 o 304.2762 2.128389  926.9312       9.158334  936.5421       18.31667  917.3201       18.31667  305.8556 2.994333  302.6969 3.025579  3.158630       4.256778  
1 1 1 28 1  13 o 241.2354 1.794860  582.5453       6.123027  589.0781       12.24605  576.0125       12.24605  242.5895 2.524029  239.8814 2.552522  2.708038       3.589720  
1 1 1 28 1  14 o 214.3031 1.715358  459.8226       5.198617  456.1251       10.39723  463.5203       10.39723  213.4404 2.435629  215.1658 2.416098  -1.725403      3.430717  
1 1 1 28 1  15 o 168.8100 1.916392  285.7762       4.569637  301.8152       9.139274  269.7372       9.139274  173.5606 2.632877  164.0594 2.785355  9.501205       3.832785  
1 1 1 28 1  16 o 91.81299 3.098597  85.14582       4.002602  75.25844       8.005203  95.03320       8.005203  86.42847 4.631115  97.19751 4.118009  -10.76904      6.197195  
1 1 1 28 1  17 o 190.7193 2.233678  366.1475       5.999137  327.4795       11.99827  404.8155       11.99827  180.5819 3.322114  200.8567 2.986774  -20.27481      4.467355  
1 1 1 28 1  18 o 103.8649 3.662040  109.3377       5.374923  104.4488       10.74985  114.2266       10.74985  101.5114 5.294897  106.2183 5.060258  -4.706978      7.324080  
1 1 1 28 1  19 o 35.68390 8.931284  11.66473       5.999137  3.688112       11.99827  19.64134       11.99827  29.42437 12.26817  41.94343 12.98320  -12.51906      17.86257  
1 1 1 28 1  20 f 73.78754 5.622570  57.36110       5.832363  64.22270       11.66473  50.49949       11.66473  78.43710 7.435719  69.13796 8.435832  9.299141       11.24514  
1 1 1 28 1  21 o 63.39586 8.214591  47.98833       6.990257  68.01564       13.98051  27.96103       13.98051  79.34109 8.810389  47.45063 13.86705  31.89046       16.42918  
1 1 1 28 2  0  o 101.4886 2.369205  103.1814       4.803122  103.1814       4.803122  103.1814       4.803122  101.4886 2.369205  101.4886 2.369205  0.000000       0.000000  
1 1 1 28 2  1  o 81.30243 1.397402  66.13823       1.605806  63.56513       3.211612  68.71133       3.211612  79.72001 2.014307  82.88486 1.937393  -3.164848      2.794804  
1 1 1 28 2  2  o 118.7955 1.109195  141.1584       1.863116  144.3414       3.726231  137.9754       3.726231  120.1352 1.550850  117.4557 1.586228  2.679405       2.218390  
1 1 1 28 2  3  o 37.60867 2.133321  14.39507       1.105480  10.67360       2.210961  18.11654       2.210961  32.66105 3.384707  42.55628 2.597691  -9.895237      4.266642  
1 1 1 28 2  4  o 263.4235 1.772808  694.1606       6.604293  697.9870       13.20859  690.3344       13.20859  264.1497 2.500208  262.6972 2.514032  1.452515       3.545617  
1 1 1 28 2  5  o 296.2330 1.999066  878.4663       8.367344  835.6384       16.73469  921.2940       16.73469  289.0043 2.895232  303.4617 2.757298  -14.45746      3.998132  
1 1 1 28 2  6  o 131.7554 1.631788  173.8511       3.035306  162.1149       6.070612  185.5873       6.070612  127.3016 2.384343  136.2092 2.228416  -8.907570      3.263576  
1 1 1 28 2  7  o 172.2954 1.645723  298.7561       3.974012  252.7452       7.948023  344.7669       7.948023  158.9431 2.500273  185.6478 2.140619  -26.70464      3.291446  
1 1 1 28 2  8  o 278.9328 2.386279  778.8586       9.410878  759.0457       18.82176  798.6714       18.82176  275.3812 3.417400  282.4843 3.331470  -7.103088      4.772558  
1 1 1 28 2  9  o 264.4696 2.063903  699.9168       7.719304  697.4915       15.43861  702.3422       15.43861  264.0111 2.923856  264.9282 2.913734  -0.9170837     4.127806  
1 1 1 28 2  10 o 246.3438 1.942542  607.6283       6.761538  578.2521       13.52308  637.0046       13.52308  240.3814 2.812837  252.3063 2.679893  -11.92491      3.885084  
1 1 1 28 2  11 o 78.99442 2.987234  64.45142       3.183021  42.35134       6.366043  86.55150       6.366043  65.00603 4.896502  92.98280 3.423237  -27.97677      5.974469  
1 1 1 28 2  12 o 146.8311 1.712884  215.8403       3.554691  224.4411       7.109383  207.2395       7.109383  149.7599 2.373593  143.9023 2.470212  5.857651       3.425769  
1 1 1 28 2  13 o 153.3009 1.678568  236.1869       3.616637  205.9720       7.233273  266.4017       7.233273  143.4462 2.521250  163.1557 2.216679  -19.70952      3.357137  
1 1 1 28 2  14 o 91.63136 2.409894  84.19759       3.121076  87.50450       6.242152  80.89068       6.242152  93.43583 3.340342  89.82690 3.474545  3.608925       4.819788  
1 1 1 28 2  15 o 113.3007 2.127471  128.8647       3.402211  119.5920       6.804423  138.1374       6.804423  109.2086 3.115333  117.3928 2.898144  -8.184158      4.254943  
1 1 1 28 2  16 o 87.17545 3.190491  77.84108       3.831062  57.72324       7.662123  97.95892       7.662123  75.63673 5.065081  98.71415 3.880965  -23.07742      6.380982  
1 1 1 28 2  17 o 43.76117 6.541188  20.31320       4.002602  15.90558       8.005203  24.72083       8.005203  38.42796 10.23129  49.09438 8.152872  -10.66641      13.08238  
1 1 1 28 2  18 o 110.5358 3.425400  124.1188       5.317742  107.5366       10.63548  140.7010       10.63548  103.0350 5.161104  118.0367 4.505162  -15.00167      6.850801  
1 1 1 28 2  19 o 81.17129 4.658545  67.86316       5.312977  59.18132       10.62595  76.54499       10.62595  75.82344 7.007038  86.51913 6.140812  -10.69569      9.317089  
1 1 1 28 2  20 o 52.00430 9.447189  31.97793       7.018848  28.34223       14.03770  35.61362       14.03770  48.80202 13.77920  55.20657 12.92792  -6.404549      18.89438  
1 1 1 28 2  21 o 46.16205 9.086799  25.50229       6.852073  40.16896       13.70415  10.83561       13.70415  58.29814 12.15261  34.02596 13.51272  24.27218       18.17360  
1 1 1 28 3  0  o 94.53299 2.483757  89.56297       4.688762  89.56297       4.688762  89.56297       4.688762  94.53299 2.483757  94.53299 2.483757  0.000000       0.000000  
1 1 1 28 3  1  o 324.5742 1.870682  1053.856       8.586533  1062.500       17.17307  1045.213       17.17307  325.9057 2.634668  323.2426 2.656374  2.663086       3.741363  
1 1 1 28 3  2  o 207.8686 1.330848  432.1857       3.912067  426.7345       7.824133  437.6368       7.824133  206.5574 1.893937  209.1798 1.870193  -2.622437      2.661695  
1 1 1 28 3  3  o 152.0786 1.171045  231.4743       2.515921  219.1901       5.031842  243.7584       5.031842  148.0398 1.699490  156.1173 1.611558  -8.077515      2.342090  
1 1 1 28 3  4  o 186.7681 1.479620  348.9554       3.907302  340.7167       7.814603  357.1941       7.814603  184.5625 2.117062  188.9737 2.067644  -4.411194      2.959240  
1 1 1 28 3  5  o 215.2694 1.676823  463.6537       5.103317  476.8433       10.20663  450.4642       10.20663  218.3329 2.337402  212.2059 2.404889  6.126984       3.353646  
1 1 1 28 3  6  o 266.6787 1.876795  712.2772       7.066498  665.1276       14.13300  759.4269       14.13300  257.8386 2.740668  275.5189 2.564796  -17.68033      3.753590  
1 1 1 28 3  7  o 205.2255 1.733864  421.3834       5.031842  427.4969       10.06368  415.2700       10.06368  206.7149 2.434194  203.7360 2.469785  2.978912       3.467728  
1 1 1 28 3  8  o 357.9603 2.493578  1282.996       12.61772  1326.967       25.23545  1239.024       25.23545  364.1023 3.465434  351.8184 3.586432  12.28387       4.987156  
1 1 1 28 3  9  f 141.1409 2.066654  201.4547       4.059782  160.3900       8.119563  242.5195       8.119563  126.5935 3.206943  155.6884 2.607633  -29.09489      4.133307  
1 1 1 28 3  10 o 219.0740 1.992122  480.3551       6.170677  491.5672       12.34135  469.1430       12.34135  221.6329 2.784188  216.5150 2.850000  5.117966       3.984244  
1 1 1 28 3  11 o 101.7644 2.072834  103.6483       2.982891  102.0664       5.965783  105.2303       5.965783  100.9871 2.953734  102.5417 2.908955  -1.554543      4.145669  
1 1 1 28 3  12 f 91.33767 1.829712  83.49712       2.363441  83.85450       4.726882  83.13976       4.726882  91.53330 2.582056  91.14204 2.593140  0.3912659      3.659425  
1 1 1 28 3  13 f 59.62078 3.743708  38.95866       2.739876  60.60130       5.479752  17.31602       5.479752  77.77103 3.523004  41.47054 6.606802  36.30050       7.487415  
1 1 1 28 3  14 o 121.9136 1.929794  148.8968       3.325971  144.2461       6.651943  153.5474       6.651943  120.0062 2.771499  123.8209 2.686115  -3.814705      3.859588  
1 1 1 28 3  15 o 160.7770 1.847944  259.1542       4.197967  246.5221       8.395933  271.7862       8.395933  156.8486 2.676445  164.7055 2.548772  -7.856857      3.695889  
1 1 1 28 3  16 o 69.24319 3.879563  48.50296       3.792941  51.64310       7.585882  45.36282       7.585882  71.51067 5.304022  66.97572 5.663159  4.534943       7.759125  
1 1 1 28 3  17 o 52.05156 6.785065  28.75679       4.846007  23.36757       9.692014  34.14600       9.692014  46.45767 10.65260  57.64544 8.406573  -11.18777      13.57013  
1 1 1 28 3  18 o 77.80569 5.116105  62.37864       5.584582  71.21771       11.16916  53.53956       11.16916  83.48592 6.689250  72.12547 7.742871  11.36046       10.23221  
1 1 1 28 3  19 o 35.59100 8.549174  12.83692       5.308212  17.84970       10.61642  7.824133       10.61642  40.09895 12.17281  31.08305 12.00734  9.015896       17.09835  
1 1 1 28 3  20 o 34.17198 8.548460  3.021012       6.837778  -20.41327      13.67556  26.45529       13.67556  21.09307 10.24833  47.25090 13.68490  -26.15783      17.09692  
1 1 1 28 3  21 o 86.86884 6.313961  81.80079       7.747893  77.63142       15.49579  85.97017       15.49579  84.46902 9.172467  89.26865 8.679299  -4.799629      12.62792  
1 1 1 28 4  0  o 240.8001 3.074231  580.2628       14.80010  580.2628       14.80010  580.2628       14.80010  240.8001 3.074231  240.8001 3.074231  0.000000       0.000000  
1 1 1 28 4  1  o 225.7726 1.410291  509.8314       4.502927  509.4549       9.005854  510.2079       9.005854  225.6893 1.995189  225.8560 1.993716  -0.1667480     2.820582  
1 1 1 28 4  2  o 225.3365 1.473051  507.9254       4.693527  518.0701       9.387053  497.7807       9.387053  227.5876 2.062295  223.0855 2.103914  4.502029       2.946101  
1 1 1 28 4  3  o 175.8924 1.318028  309.4535       3.278321  304.9220       6.556643  313.9850       6.556643  174.6042 1.877573  177.1805 1.850272  -2.576279      2.636055  
1 1 1 28 4  4  o 223.4151 1.601295  502.3598       5.012782  423.9803       10.02556  580.7394       10.02556  205.8739 2.434880  240.9563 2.080369  -35.08246      3.202589  
1 1 1 28 4  5  o 236.5105 1.719949  559.9687       5.746593  529.8968       11.49319  590.0406       11.49319  230.1531 2.496856  242.8680 2.366139  -12.71483      3.439899  
1 1 1 28 4  6  o 288.5447 2.016068  834.7998       8.200569  757.9117       16.40114  911.6878       16.40114  275.2213 2.979627  301.8682 2.716606  -26.64685      4.032136  
1 1 1 28 4  7  o 49.34084 3.467391  24.44446       2.411091  26.78884       4.822182  22.10008       4.822182  51.71655 4.662127  46.96515 5.133788  4.751400       6.934783  
1 1 1 28 4  8  o 410.3598 2.740831  1686.005       15.90558  1700.858       31.81115  1671.153       31.81115  412.1695 3.858989  408.5501 3.893177  3.619385       5.481662  
1 1 1 28 4  9  o 155.5495 2.054002  242.5005       4.507692  223.2594       9.015384  261.7416       9.015384  149.3646 3.017912  161.7343 2.787096  -12.36974      4.108004  
1 1 1 28 4  10 o 32.30573 4.703961  11.15963       2.196666  4.145552       4.393332  18.17372       4.393332  22.03491 7.867037  42.57655 5.159332  -20.54165      9.407922  
1 1 1 28 4  11 o 224.1922 1.696252  503.3843       5.370157  471.9067       10.74031  534.8619       10.74031  217.1720 2.472767  231.2125 2.322607  -14.04045      3.392503  
1 1 1 28 4  12 o 242.0049 1.810097  586.1810       6.194502  594.7199       12.38900  577.6421       12.38900  243.7691 2.541135  240.2407 2.578457  3.528397       3.620194  
1 1 1 28 4  13 o 197.3921 1.752220  390.6539       4.879362  422.2364       9.758724  359.0715       9.758724  205.3920 2.375633  189.3922 2.576327  15.99985       3.504439  
1 1 1 28 4  14 f 289.7884 2.150129  841.4850       8.810489  825.3174       17.62098  857.6526       17.62098  286.9988 3.069869  292.5779 3.011331  -5.579102      4.300257  
1 1 1 28 4  15 o 155.5011 1.980712  242.5624       4.350447  256.4333       8.700893  228.6915       8.700893  159.9612 2.719689  151.0411 2.880307  8.920151       3.961423  
1 1 1 28 4  16 o 53.17254 5.778992  30.28635       4.035956  19.65087       8.071913  40.92183       8.071913  42.82443 9.654874  63.52066 6.353770  -20.69623      11.55798  
1 1 1 28 4  17 o 147.7271 2.603773  219.6094       5.432102  232.9705       10.86420  206.2483       10.86420  152.2494 3.567898  143.2049 3.793237  9.044418       5.207547  
1 1 1 28 4  18 o 86.14442 3.792981  75.38709       4.607757  68.93051       9.215513  81.84367       9.215513  82.39689 5.592149  89.89195 5.125884  -7.495064      7.585962  
1 1 1 28 4  19 o 95.72034 4.375801  93.79906       5.922898  92.31715       11.84580  95.28098       11.84580  94.94626 6.238158  96.49443 6.138072  -1.548172      8.751602  
1 1 1 28 4  20 o 99.34259 5.202497  102.9479       7.299983  97.26321       14.59997  108.6325       14.59997  96.48145 7.566204  102.2037 7.142581  -5.722267      10.40499  
1 1 1 28 4  21 o 44.34064 14.68912  24.65412       15.18130  24.65412       15.18130  ?              ?         44.34064 14.68912  ?        ?         ?              ?         
1 1 1 28 5  0  o 89.44847 2.641993  80.23310       4.717352  80.23310       4.717352  80.23310       4.717352  89.44847 2.641993  89.44847 2.641993  0.000000       0.000000  
1 1 1 28 5  1  o 68.53949 1.357739  47.00674       1.315140  49.02234       2.630281  44.99115       2.630281  70.00988 1.878507  67.06909 1.960874  2.940788       2.715477  
1 1 1 28 5  2  o 171.4062 1.217809  294.0102       2.949536  280.0678       5.899073  307.9525       5.899073  167.3391 1.762610  175.4733 1.680904  -8.134125      2.435617  
1 1 1 28 5  3  o 299.6324 1.728395  898.0932       7.323808  905.0263       14.64762  891.1601       14.64762  300.7893 2.434863  298.4755 2.453739  2.313873       3.456789  
1 1 1 28 5  4  o 209.3099 1.388203  438.3277       4.107431  453.1898       8.214863  423.4657       8.214863  212.8601 1.929639  205.7597 1.996228  7.100479       2.776406  
1 1 1 28 5  5  o 253.2797 1.846630  642.1125       6.609057  612.1407       13.21811  672.0844       13.21811  247.3629 2.671806  259.1964 2.549826  -11.83351      3.693259  
1 1 1 28 5  6  f 122.8395 1.792672  151.2030       3.106781  139.1285       6.213562  163.2776       6.213562  117.9247 2.634546  127.7542 2.431842  -9.829491      3.585343  
1 1 1 28 5  7  o 131.3382 1.799165  173.6176       3.311677  200.3969       6.623353  146.8383       6.623353  141.5330 2.339862  121.1434 2.733683  20.38960       3.598329  
1 1 1 28 5  8  o 113.0565 1.971045  128.0737       3.144901  137.5751       6.289802  118.5723       6.289802  117.2586 2.682022  108.8545 2.889088  8.404129       3.942090  
1 1 1 28 5  9  o 370.6010 2.328790  1374.808       12.20317  1344.521       24.40634  1405.094       24.40634  366.5148 3.329516  374.6871 3.256897  -8.172241      4.657580  
1 1 1 28 5  10 o 149.5154 1.724653  225.6943       3.597576  183.2048       7.195153  268.1838       7.195153  135.3063 2.658839  163.7245 2.197336  -28.41817      3.449306  
1 1 1 28 5  11 o 169.1840 1.488297  286.9436       3.549927  260.9410       7.099854  312.9463       7.099854  161.4993 2.198107  176.8687 2.007097  -15.36943      2.976594  
1 1 1 28 5  12 o 254.5886 1.871582  648.7741       6.737713  660.1529       13.47543  637.3952       13.47543  256.8233 2.623482  252.3538 2.669947  4.469498       3.743163  
1 1 1 28 5  13 o 271.5606 2.049036  738.5801       7.867019  758.6837       15.73404  718.4765       15.73404  275.2621 2.858011  267.8591 2.936999  7.402954       4.098072  
1 1 1 28 5  14 o 90.58061 2.591547  82.49171       3.306911  90.84000       6.613823  74.14342       6.613823  95.18882 3.474055  85.97241 3.846480  9.216408       5.183094  
1 1 1 28 5  15 o 60.94646 3.910749  37.53392       3.364091  34.84169       6.728183  40.22615       6.728183  58.73779 5.727304  63.15515 5.326710  -4.417362      7.821499  
1 1 1 28 5  16 o 164.5749 2.089757  271.8100       4.860302  259.9690       9.720604  283.6510       9.720604  160.9775 3.019244  168.1724 2.890071  -7.194931      4.179515  
1 1 1 28 5  17 o 50.15191 6.015610  26.50294       4.116962  21.68076       8.233924  31.32512       8.233924  44.95640 9.456240  55.34742 7.438399  -10.39101      12.03122  
1 1 1 28 5  18 o 47.76299 8.045083  25.36411       5.494047  33.91728       10.98809  16.81093       10.98809  56.06822 10.17367  39.45775 12.46555  16.61047       16.09017  
1 1 1 28 5  19 o 39.20511 7.385253  9.530005       6.165912  37.25278       12.33182  -18.19278      12.33182  58.07764 11.01583  20.33257 9.839685  37.74507       14.77051  
1 1 1 28 5  20 o 80.09709 5.806593  67.58678       6.566173  63.26016       13.13235  71.91341       13.13235  77.39623 8.483841  82.79795 7.930357  -5.401718      11.61319  
1 1 1 28 5  21 o 55.35258 9.307878  37.51963       7.719304  52.83434       15.43861  22.20491       15.43861  68.26049 11.30860  42.44467 14.78722  25.81582       18.61576  
1 1 1 28 6  0  o 162.5388 2.613574  264.4385       8.491233  264.4385       8.491233  264.4385       8.491233  162.5388 2.613574  162.5388 2.613574  0.000000       0.000000  
1 1 1 28 6  1  o 85.29370 1.536247  74.26731       1.796406  53.36802       3.592812  95.16661       3.592812  73.04233 2.459404  97.54507 1.841616  -24.50274      3.072494  
1 1 1 28 6  2  o 65.85022 1.502829  43.44252       1.396145  46.92574       2.792291  39.95930       2.792291  68.49502 2.038317  63.20541 2.208902  5.289604       3.005659  
1 1 1 28 6  3  o 330.3355 1.915857  1093.325       8.929614  1007.798       17.85923  1178.852       17.85923  317.3900 2.813451  343.2810 2.601255  -25.89096      3.831714  
1 1 1 28 6  4  o 352.7692 2.055642  1249.012       10.20663  1108.730       20.41327  1389.293       20.41327  332.8863 3.066102  372.6521 2.738917  -39.76584      4.111283  
1 1 1 28 6  5  o 185.1218 1.574937  342.8847       4.121727  332.2636       8.243454  353.5060       8.243454  182.2531 2.261540  187.9905 2.192519  -5.737411      3.149874  
1 1 1 28 6  6  o 215.6170 1.639704  466.0601       4.984192  423.4467       9.968384  508.6735       9.968384  205.7353 2.422624  225.4987 2.210297  -19.76347      3.279408  
1 1 1 28 6  7  o 312.6094 1.974633  978.1929       8.724718  1016.642       17.44944  939.7442       17.44944  318.7591 2.737088  306.4598 2.846937  12.29929       3.949267  
1 1 1 28 6  8  o 91.55481 1.702771  83.94505       2.201431  89.22942       4.402862  78.66065       4.402862  94.44073 2.331019  88.66890 2.482754  5.771828       3.405542  
1 1 1 28 6  9  f 189.2190 1.592142  358.2186       4.259912  351.2950       8.519823  365.1421       8.519823  187.3895 2.273293  191.0485 2.229754  -3.658997      3.184284  
1 1 1 28 6  10 o 287.9323 1.975335  829.7107       8.043323  823.0493       16.08665  836.3723       16.08665  286.7755 2.804745  289.0891 2.782299  -2.313568      3.950669  
1 1 1 28 6  11 o 65.92627 2.049466  43.49970       1.910766  43.78084       3.821531  43.21857       3.821531  66.13949 2.888994  65.71305 2.907742  0.4264374      4.098932  
1 1 1 28 6  12 o 355.1105 2.161463  1262.525       10.85467  1272.236       21.70935  1252.814       21.70935  356.4778 3.044979  353.7432 3.068518  2.734650       4.322927  
1 1 1 28 6  13 o 200.6601 1.795140  403.3383       5.089022  424.2662       10.17804  382.4105       10.17804  205.8749 2.471900  195.4453 2.603808  10.42953       3.590280  
1 1 1 28 6  14 o 56.55086 4.139457  32.74986       3.225906  24.35869       6.451812  41.14103       6.451812  49.13173 6.565831  63.96999 5.042843  -14.83827      8.278913  
1 1 1 28 6  15 o 133.9730 2.217613  180.5316       4.183672  199.7108       8.367344  161.3525       8.367344  141.1308 2.964393  126.8152 3.299031  14.31567       4.435226  
1 1 1 28 6  16 o 141.3443 2.279266  200.5351       4.555342  204.5901       9.110683  196.4801       9.110683  142.7787 3.190491  139.9098 3.255913  2.868896       4.558531  
1 1 1 28 6  17 o 52.15384 6.701353  29.02363       4.760237  28.84732       9.520474  29.19993       9.520474  51.98242 9.511368  52.32526 9.442797  -0.3428383     13.40271  
1 1 1 28 6  18 o 125.2383 3.309696  159.1511       5.827598  178.7734       11.65520  139.5288       11.65520  133.0723 4.379273  117.4043 4.963700  15.66796       6.619392  
1 1 1 28 6  19 o 96.94100 4.968786  96.99162       6.809187  100.0936       13.61837  93.88960       13.61837  98.54095 6.910008  95.34105 7.141926  3.199905       9.937572  
1 1 1 28 6  20 o 32.73679 8.996408  7.981379       6.285037  0.6099203      12.57007  15.35284       12.57007  27.77941 12.09385  37.69417 13.32217  -9.914759      17.99282  
1 1 1 28 6  21 o 39.62340 14.55567  18.31667       15.13365  18.31667       15.13365  ?              ?         39.62340 14.55567  ?        ?         ?              ?         
1 1 1 28 7  0  o 16.96493 8.942202  4.202732       3.993072  4.202732       3.993072  4.202732       3.993072  16.96493 8.942202  16.96493 8.942202  0.000000       0.000000  
1 1 1 28 7  1  o 439.9023 2.454307  1936.878       15.26230  1872.522       30.52460  2001.234       30.52460  432.5874 3.528142  447.2171 3.412728  -14.62967      4.908615  
1 1 1 28 7  2  o 31.73401 2.808613  10.09227       1.257961  10.82608       2.515921  9.358463       2.515921  32.89020 3.824727  30.57782 4.113964  2.312378       5.617227  
1 1 1 28 7  3  o 184.2266 1.326264  339.5112       3.454626  331.2629       6.909253  347.7594       6.909253  181.9880 1.898272  186.4652 1.852692  -4.477219      2.652528  
1 1 1 28 7  4  o 363.2115 2.190113  1321.040       11.23588  1245.486       22.47175  1396.594       22.47175  352.8108 3.184675  373.6124 3.007361  -20.80161      4.380225  
1 1 1 28 7  5  o 201.4243 1.515937  405.9067       4.317091  395.0377       8.634183  416.7757       8.634183  198.7263 2.172380  204.1224 2.114953  -5.396042      3.031874  
1 1 1 28 7  6  o 239.3564 1.693038  573.3822       5.727532  596.2447       11.45506  550.5198       11.45506  244.1323 2.346077  234.5806 2.441605  9.551666       3.386077  
1 1 1 28 7  7  o 143.5337 1.507071  206.3055       3.054366  219.6285       6.108732  192.9826       6.108732  148.1747 2.061328  138.8926 2.199085  9.282104       3.014141  
1 1 1 28 7  8  o 392.5464 2.434671  1542.569       13.51355  1576.063       27.02709  1509.076       27.02709  396.8125 3.405524  388.2802 3.480359  8.532318       4.869342  
1 1 1 28 7  9  o 210.5721 1.608577  443.6836       4.788827  431.2231       9.577654  456.1441       9.577654  207.6134 2.306608  213.5308 2.242686  -5.917435      3.217155  
1 1 1 28 7  10 o 135.4662 1.815776  183.6384       3.478451  181.4894       6.956903  185.7874       6.956903  134.6730 2.582887  136.2594 2.552816  -1.586380      3.631553  
1 1 1 28 7  11 o 239.6288 1.719440  574.8498       5.822832  549.9288       11.64566  599.7708       11.64566  234.4289 2.483838  244.8287 2.378330  -10.39981      3.438881  
1 1 1 28 7  12 o 240.1549 1.780275  577.4801       6.042023  552.2637       12.08405  602.6965       12.08405  234.9049 2.572114  245.4049 2.462062  -10.50006      3.560551  
1 1 1 28 7  13 o 75.05231 2.631870  56.47480       2.792291  58.36175       5.584582  54.58786       5.584582  76.30939 3.659171  73.79523 3.783837  2.514168       5.263740  
1 1 1 28 7  14 o 266.3621 2.197384  710.9669       8.276809  720.6780       16.55362  701.2559       16.55362  268.1851 3.086230  264.5392 3.128764  3.645844       4.394768  
1 1 1 28 7  15 f 126.3301 2.341760  160.1231       4.183672  159.1034       8.367344  161.1428       8.367344  125.9265 3.322312  126.7337 3.301152  -0.8071823     4.683521  
1 1 1 28 7  16 o 87.25256 3.449763  76.79755       4.255147  74.35309       8.510294  79.24198       8.510294  85.85178 4.956388  88.65335 4.799759  -2.801567      6.899526  
1 1 1 28 7  17 o 74.24233 4.890174  57.94243       4.893657  38.27250       9.787313  77.61235       9.787313  60.99522 8.023017  87.48944 5.593425  -26.49422      9.780348  
1 1 1 28 7  18 o 20.57122 6.766552  -9.258398      4.898422  -15.14318      9.796844  -3.373621      9.796844  18.12410 8.770803  23.01833 10.30621  -4.894232      13.53310  
1 1 1 28 7  19 o 64.02368 6.805275  44.85296       5.784712  57.86618       11.56942  31.83974       11.56942  74.61324 7.752931  53.43412 11.18656  21.17912       13.61055  
1 1 1 28 7  20 o 108.3850 4.764831  121.8840       7.290452  113.7692       14.58090  129.9988       14.58090  104.6415 6.967074  112.1285 6.501872  -7.487000      9.529662  
1 1 1 28 7  21 o 42.16868 14.98558  21.75700       15.92464  21.75700       15.92464  ?              ?         42.16868 14.98558  ?        ?         ?              ?         
1 1 1 28 8  0  o 154.1042 2.598988  237.7260       8.005203  237.7260       8.005203  237.7260       8.005203  154.1042 2.598988  154.1042 2.598988  0.000000       0.000000  
1 1 1 28 8  1  o 329.7605 1.973503  1088.050       9.201219  1115.792       18.40244  1060.308       18.40244  333.9669 2.755129  325.5541 2.826325  8.412720       3.947006  
1 1 1 28 8  2  o 81.00131 1.736420  70.94134       1.758286  108.2799       3.516572  33.60279       3.516572  104.0494 1.689856  57.95320 3.033975  46.09623       3.472841  
1 1 1 28 8  3  o 47.01450 2.157275  22.36216       1.410441  27.03662       2.820881  17.68769       2.820881  51.98581 2.713126  42.04320 3.354741  9.942608       4.314550  
1 1 1 28 8  4  o 524.0026 2.917971  2748.543       21.62358  2739.390       43.24715  2757.697       43.24715  523.1292 4.133507  524.8760 4.119750  -1.746887      5.835942  
1 1 1 28 8  5  o 174.3933 1.388212  304.6361       3.416506  281.8022       6.833013  327.4700       6.833013  167.8466 2.035493  180.9400 1.888199  -13.09332      2.776423  
1 1 1 28 8  6  o 209.3663 1.495070  438.4898       4.426687  440.8103       8.853374  436.1692       8.853374  209.9205 2.108744  208.8121 2.119938  1.108368       2.990140  
1 1 1 28 8  7  o 184.3754 1.453949  340.2307       3.788176  355.6883       7.576353  324.7730       7.576353  188.5673 2.008926  180.1835 2.102400  8.383804       2.907897  
1 1 1 28 8  8  o 295.1865 2.021539  871.9335       8.438819  864.4380       16.87764  879.4287       16.87764  293.9169 2.871158  296.4561 2.846566  -2.539185      4.043079  
1 1 1 28 8  9  f 145.8986 1.608996  213.1052       3.316442  201.9312       6.632883  224.2791       6.632883  142.0693 2.334383  149.7280 2.214978  -7.658707      3.217992  
1 1 1 28 8  10 o 211.1889 1.630548  446.2425       4.869832  443.5836       9.739664  448.9013       9.739664  210.5594 2.312806  211.8184 2.299060  -1.258987      3.261096  
1 1 1 28 8  11 o 133.7940 1.627272  179.7025       3.063896  159.1987       6.127792  200.2063       6.127792  126.1316 2.429127  141.4565 2.165964  -15.32489      3.254544  
1 1 1 28 8  12 o 185.9675 1.728489  346.1154       4.545812  348.4074       9.091624  343.8235       9.091624  186.5837 2.436339  185.3513 2.452539  1.232437       3.456978  
1 1 1 28 8  13 o 123.5291 1.766753  152.8755       3.082956  161.2667       6.165912  144.4844       6.165912  126.9255 2.428949  120.1326 2.566294  6.792870       3.533505  
1 1 1 28 8  14 o 84.11659 3.181816  72.20883       3.692876  54.09230       7.385753  90.32537       7.385753  73.34789 5.034741  94.88530 3.891937  -21.53741      6.363631  
1 1 1 28 8  15 o 111.0525 2.469976  123.7852       3.878712  121.6505       7.757423  125.9199       7.757423  110.0914 3.523174  112.0137 3.462713  -1.922272      4.939952  
1 1 1 28 8  16 o 96.62209 3.154586  94.35180       4.288502  105.2684       8.577003  83.43519       8.577003  102.2712 4.193264  90.97295 4.714041  11.29827       6.309171  
1 1 1 28 8  17 o 96.60298 3.500121  94.55194       4.769767  102.1902       9.539534  86.91364       9.539534  100.5564 4.743374  92.64954 5.148182  7.906891       7.000241  
1 1 1 28 8  18 o 67.86557 5.455476  48.41718       5.060432  62.27858       10.12086  34.55579       10.12086  78.07796 6.481255  57.65318 8.777369  20.42478       10.91095  
1 1 1 28 8  19 o 48.33643 8.763250  26.73167       6.304098  37.13842       12.60820  16.32490       12.60820  57.75695 11.31840  38.91592 13.38178  18.84104       17.52650  
1 1 1 28 8  20 o 52.04906 9.091685  31.92074       6.661473  32.64980       13.32295  31.19170       13.32295  52.70819 12.75731  51.38995 12.95708  1.318241       18.18337  
1 1 1 28 8  21 o 54.00490 9.877328  36.43320       7.671653  42.32275       15.34331  30.54366       15.34331  58.93630 13.32777  49.07349 14.58139  9.862808       19.75466  
1 1 1 28 9  0  o 572.4713 6.121056  3281.742       70.06459  3281.742       70.06459  3281.742       70.06459  572.4713 6.121056  572.4713 6.121056  0.000000       0.000000  
1 1 1 28 9  1  o 77.01585 1.487466  59.32904       1.620101  59.38145       3.240201  59.27663       3.240201  77.04988 2.102665  76.98183 2.104524  0.6805420E-01  2.974932  
1 1 1 28 9  2  o 186.6600 1.456013  350.7041       3.807237  406.1021       7.614474  295.3062       7.614474  201.4993 1.889454  171.8208 2.215819  29.67851       2.912025  
1 1 1 28 9  3  o 159.9249 1.383633  256.2666       3.121076  277.7329       6.242152  234.8002       6.242152  166.6362 1.872988  153.2135 2.037077  13.42276       2.767267  
1 1 1 28 9  4  o 263.1268 1.657767  693.1649       6.161148  733.1052       12.32230  653.2246       12.32230  270.7164 2.275868  255.5373 2.411056  15.17906       3.315534  
1 1 1 28 9  5  o 261.7887 1.799872  686.1174       6.656708  722.0598       13.31342  650.1750       13.31342  268.6535 2.477804  254.9239 2.611253  13.72958       3.599743  
1 1 1 28 9  6  o 63.22048 2.210773  40.30715       1.953651  47.35459       3.907302  33.25972       3.907302  68.79417 2.839849  57.64678 3.389003  11.14739       4.421547  
1 1 1 28 9  7  o 77.13861 2.025353  61.16356       2.120426  41.50317       4.240851  80.82396       4.240851  64.39506 3.292839  89.88216 2.359118  -25.48710      4.050707  
1 1 1 28 9  8  o 282.2934 1.779717  797.3278       7.104619  807.3724       14.20924  787.2831       14.20924  284.0725 2.500988  280.5143 2.532712  3.558258       3.559434  
1 1 1 28 9  9  o 55.13855 2.839602  30.47695       2.210961  28.56142       4.421922  32.39248       4.421922  53.40153 4.140258  56.87556 3.887366  -3.474030      5.679203  
1 1 1 28 9  10 o 206.1723 1.565647  425.2717       4.564872  428.6786       9.129744  421.8647       9.129744  206.9985 2.205268  205.3460 2.223015  1.652496       3.131294  
1 1 1 28 9  11 o 204.7191 1.643944  419.6109       4.755473  399.7264       9.510944  439.4952       9.510944  199.8626 2.379371  209.5756 2.269097  -9.712997      3.287888  
1 1 1 28 9  12 o 50.58040 3.741764  26.13127       2.606456  32.92616       5.212912  19.33638       5.212912  57.29732 4.549002  43.86347 5.942203  13.43385       7.483528  
1 1 1 28 9  13 o 32.35565 5.524445  10.38770       2.930476  1.953651       5.860952  18.82176       5.860952  21.51029 8.721474  43.20101 6.783351  -21.69072      11.04889  
1 1 1 28 9  14 o 66.52982 3.823893  44.59565       3.592812  47.28788       7.185624  41.90343       7.185624  68.55315 5.240914  64.50650 5.569689  4.046646       7.647786  
1 1 1 28 9  15 o 120.1640 2.338866  144.8846       3.974012  147.7818       7.948023  141.9875       7.948023  121.3695 3.274308  118.9585 3.340670  2.410980       4.677732  
1 1 1 28 9  16 o 51.09087 5.661273  27.62748       3.873947  35.13712       7.747893  20.11784       7.747893  58.79850 6.588512  43.38324 9.208232  15.41527       11.32255  
1 1 1 28 9  17 o 48.48303 7.021944  26.33617       4.998487  8.605594       9.996975  44.06674       9.996975  31.52251 11.78532  65.44354 7.637862  -33.92103      14.04389  
1 1 1 28 9  18 o 63.24119 6.953462  42.68965       6.022963  36.88111       12.04593  48.49819       12.04593  58.21550 10.75002  68.26688 8.822672  -10.05138      13.90692  
1 1 1 28 9  19 o 34.16767 9.144089  8.424523       6.575703  18.48821       13.15141  -1.639161      13.15141  40.86186 13.67186  27.47348 12.14651  13.38837       18.28818  
1 1 1 28 9  20 f 25.30550 8.383622  -10.84991      7.581119  -9.263164      15.16224  -12.43666      15.16224  25.83475 12.03735  24.77625 11.67231  1.058502       16.76724  
1 1 1 28 9  21 o 69.86337 8.786124  57.82330       8.395933  67.37712       16.79187  48.26947       16.79187  77.26019 10.86709  62.46656 13.80907  14.79362       17.57225  
1 1 1 28 10 0  f 258.6812 3.438601  669.7401       17.78299  669.7401       17.78299  669.7401       17.78299  258.6812 3.438601  258.6812 3.438601  0.000000       0.000000  
1 1 1 28 10 1  o 43.85353 2.466187  19.28396       1.524801  17.54474       3.049601  21.02319       3.049601  41.87053 3.641703  45.83652 3.326607  -3.965988      4.932374  
1 1 1 28 10 2  o 352.3215 2.020792  1241.917       10.06845  1253.110       20.13690  1230.724       20.13690  353.9100 2.844918  350.7331 2.870687  3.176910       4.041585  
1 1 1 28 10 3  o 149.8526 1.423414  224.6270       3.016246  228.3008       6.032492  220.9532       6.032492  151.0784 1.996478  148.6268 2.029410  2.451630       2.846828  
1 1 1 28 10 4  o 393.0845 2.261329  1546.253       12.57007  1566.094       25.14015  1526.411       25.14015  395.6083 3.177404  390.5607 3.218469  5.047638       4.522658  
1 1 1 28 10 5  o 224.3879 1.641862  503.8274       5.208147  487.6694       10.41630  519.9856       10.41630  220.7874 2.358897  227.9884 2.284391  -7.200989      3.283723  
1 1 1 28 10 6  o 202.3133 1.468861  410.9813       4.178907  360.7202       8.357814  461.2426       8.357814  189.8916 2.200680  214.7349 1.946077  -24.84326      2.937721  
1 1 1 28 10 7  o 252.9013 1.685895  640.3591       6.022963  675.3056       12.04593  605.4125       12.04593  259.8104 2.318215  245.9921 2.448437  13.81825       3.371789  
1 1 1 28 10 8  o 489.7813 2.773243  2402.314       19.20296  2332.745       38.40591  2471.883       38.40591  482.6793 3.978410  496.8834 3.864681  -14.20413      5.546485  
1 1 1 28 10 9  o 27.83180 5.295084  7.886078       2.272906  3.859652       4.545812  11.91251       4.545812  21.84700 7.982162  33.81660 6.959651  -11.96960      10.59017  
1 1 1 28 10 10 o 26.98537 4.273170  5.365393       2.311026  16.49644       4.622052  -5.765652      4.622052  40.55486 5.698518  13.41587 6.369209  27.13899       8.546340  
1 1 1 28 10 11 o 54.49501 3.277188  30.15293       2.477801  23.45334       4.955602  36.85253       4.955602  48.34804 5.124926  60.64199 4.085949  -12.29395      6.554377  
1 1 1 28 10 12 o 122.9171 1.905897  152.7469       3.264026  122.6511       6.528053  182.8427       6.528053  110.6748 2.949205  135.1594 2.414946  -24.48461      3.811795  
1 1 1 28 10 13 o 192.3577 1.794517  371.3223       4.865067  336.0184       9.730133  406.6262       9.730133  183.1810 2.655879  201.5343 2.414014  -18.35327      3.589033  
1 1 1 28 10 14 o 173.3423 1.869960  301.0004       4.583931  303.7498       9.167863  298.2510       9.167863  174.1353 2.632396  172.5492 2.656594  1.586121       3.739920  
1 1 1 28 10 15 o 110.4787 2.724808  122.8513       4.245616  133.2771       8.491233  112.4254       8.491233  115.1972 3.685521  105.7602 4.014380  9.436966       5.449615  
1 1 1 28 10 16 o 97.16847 3.540759  96.46746       4.774532  117.6384       9.549064  75.29655       9.549064  108.0624 4.418311  86.27455 5.534114  21.78783       7.081517  
1 1 1 28 10 17 o 120.0655 3.263336  146.1712       5.513107  129.4270       11.02621  162.9154       11.02621  113.0925 4.874866  127.0384 4.339717  -13.94591      6.526673  
1 1 1 28 10 18 o 31.79890 7.631379  -0.7576356     5.827598  -24.84472      11.65520  23.32945       11.65520  17.92842 8.856878  45.66937 12.43010  -27.74095      15.26276  
1 1 1 28 10 19 o 108.0574 4.560174  120.0113       6.966432  123.4421       13.93286  116.5805       13.93286  109.6449 6.353630  106.4699 6.543098  3.174980       9.120348  
1 1 1 28 10 20 o 95.08855 5.253830  94.93789       7.061733  91.70722       14.12347  98.16856       14.12347  93.38978 7.561570  96.78732 7.296134  -3.397537      10.50766  
1 1 1 28 10 21 o 57.99195 9.373123  41.66518       7.528703  39.91165       15.05741  43.41870       15.05741  56.52812 13.48749  59.45578 13.01958  -2.927662      18.74625  
1 1 1 28 11 0  f 78.76334 3.395431  62.40246       5.327272  62.40246       5.327272  62.40246       5.327272  78.76334 3.395431  78.76334 3.395431  0.000000       0.000000  
1 1 1 28 11 1  o 200.1161 1.464660  401.4562       4.131257  363.6554       8.262513  439.2569       8.262513  190.6714 2.166689  209.5608 1.971388  -18.88942      2.929319  
1 1 1 28 11 2  o 114.1656 1.281182  130.3848       2.068011  133.7441       4.136022  127.0254       4.136022  115.6368 1.788367  112.6943 1.835063  2.942505       2.562365  
1 1 1 28 11 3  o 62.33994 1.957340  38.89194       1.724931  40.16896       3.449862  37.61493       3.449862  63.36417 2.722249  61.31570 2.813196  2.048477       3.914679  
1 1 1 28 11 4  o 65.77153 1.901902  43.45682       1.758286  37.93895       3.516572  48.97469       3.516572  61.57681 2.855435  69.96626 2.513048  -8.389458      3.803803  
1 1 1 28 11 5  o 223.5319 1.636657  500.7206       5.160498  542.1619       10.32100  459.2794       10.32100  232.8016 2.216694  214.2623 2.408496  18.53929       3.273314  
1 1 1 28 11 6  o 306.5743 1.865469  940.5256       8.086207  917.9681       16.17241  963.0832       16.17241  302.8954 2.669637  310.2533 2.606325  -7.357910      3.730937  
1 1 1 28 11 7  o 288.2000 1.806757  831.1736       7.361928  808.9067       14.72386  853.4404       14.72386  284.3369 2.589157  292.0630 2.520664  -7.726166      3.613514  
1 1 1 28 11 8  o 249.5328 1.676616  623.1860       5.913367  599.2086       11.82673  647.1635       11.82673  244.7284 2.416298  254.3373 2.325010  -9.608963      3.353232  
1 1 1 28 11 9  o 155.3284 1.545782  241.7476       3.387916  260.4741       6.775833  223.0211       6.775833  161.3564 2.099648  149.3004 2.269195  12.05605       3.091564  
1 1 1 28 11 10 f 191.7613 1.632590  368.7492       4.412392  403.7863       8.824783  333.7121       8.824783  200.8969 2.196346  182.6257 2.416085  18.27118       3.265180  
1 1 1 28 11 11 o 260.4494 1.808576  678.9032       6.661473  675.2198       13.32295  682.5865       13.32295  259.7423 2.564647  261.1565 2.550759  -1.414246      3.617151  
1 1 1 28 11 12 o 108.7968 2.073678  118.7152       3.183021  128.1404       6.366043  109.2901       6.366043  113.1284 2.813637  104.4653 3.046966  8.663094       4.147355  
1 1 1 28 11 13 o 143.9288 1.848464  208.0781       3.745291  230.9596       7.490582  185.1966       7.490582  151.8777 2.465991  135.9799 2.754298  15.89783       3.696927  
1 1 1 28 11 14 o 167.5991 1.969306  282.3597       4.645877  250.9917       9.291754  313.7277       9.291754  158.2410 2.935950  176.9571 2.625425  -18.71611      3.938611  
1 1 1 28 11 15 o 39.41744 7.087434  16.65368       4.131257  23.31992       8.262513  9.987444       8.262513  46.88535 9.137403  31.94954 10.83673  14.93580       14.17487  
1 1 1 28 11 16 o 88.27140 3.558700  78.67972       4.440981  81.02409       8.881963  76.33533       8.881963  89.59934 4.956489  86.94346 5.107896  2.655884       7.117400  
1 1 1 28 11 17 o 118.1250 3.143315  140.8963       5.251032  140.9488       10.50206  140.8439       10.50206  118.1472 4.444483  118.1028 4.446153  0.4437256E-01  6.286629  
1 1 1 28 11 18 o 19.96013 6.637434  -10.58307      4.912717  -15.63874      9.825435  -5.527402      9.825435  17.98674 8.722634  21.93352 10.00688  -3.946781      13.27487  
1 1 1 28 11 19 o 58.01677 7.190773  36.91447       5.684648  29.53348       11.36929  44.29546       11.36929  51.20204 11.39935  64.83150 8.768343  -13.62946      14.38155  
1 1 1 28 11 20 o 54.94207 8.062737  35.79946       6.432753  56.12219       12.86551  15.47673       12.86551  72.38046 8.887418  37.50369 13.45529  34.87676       16.12547  
1 1 1 28 11 21 o 84.74304 6.450535  79.83760       7.724069  76.42110       15.44814  83.25410       15.44814  82.72723 9.336791  86.75884 8.902918  -4.031609      12.90107  
1 1 1 28 12 0  o 379.3933 4.360705  1440.784       33.07864  1440.784       33.07864  1440.784       33.07864  379.3933 4.360705  379.3933 4.360705  0.000000       0.000000  
1 1 1 28 12 1  o 383.5530 2.172571  1472.033       11.78385  1491.026       23.56770  1453.040       23.56770  386.0289 3.052582  381.0770 3.092249  4.951935       4.345142  
1 1 1 28 12 2  o 229.8098 1.491350  528.3386       4.846007  539.9700       9.692014  516.7073       9.692014  232.3405 2.085735  227.2792 2.132183  5.061325       2.982699  
1 1 1 28 12 3  o 276.5584 1.778543  766.1694       6.942607  821.2099       13.88521  711.1288       13.88521  286.5094 2.423170  266.6075 2.604056  19.90192       3.557086  
1 1 1 28 12 4  o 191.6488 1.435593  367.5723       3.888242  351.8287       7.776483  383.3158       7.776483  187.5414 2.073271  195.7562 1.986268  -8.214813      2.871186  
1 1 1 28 12 5  f 266.7133 1.811567  713.0349       6.813953  651.6045       13.62791  774.4653       13.62791  255.1971 2.670074  278.2295 2.449040  -23.03238      3.623133  
1 1 1 28 12 6  f 123.3543 1.551814  152.4229       2.701756  163.4967       5.403512  141.3490       5.403512  127.8429 2.113340  118.8657 2.272949  8.977287       3.103627  
1 1 1 28 12 7  o 272.1411 1.796785  741.0721       6.914018  756.9396       13.82804  725.2048       13.82804  275.0564 2.513673  269.2258 2.568111  5.830627       3.593570  
1 1 1 28 12 8  o 215.3895 1.628564  464.1636       4.960367  470.5249       9.920734  457.8023       9.920734  216.8662 2.287294  213.9128 2.318873  2.953384       3.257129  
1 1 1 28 12 9  o 203.2371 1.628017  413.2686       4.679232  414.8315       9.358463  411.7057       9.358463  203.6216 2.298003  202.8526 2.306715  0.7690430      3.256034  
1 1 1 28 12 10 o 138.0153 1.636190  190.6334       3.192551  185.0822       6.385102  196.1847       6.385102  136.0042 2.347391  140.0264 2.279963  -4.022186      3.272381  
1 1 1 28 12 11 o 164.8942 1.568247  272.4199       3.649991  252.8596       7.299983  291.9803       7.299983  158.9630 2.296126  170.8254 2.136680  -11.86234      3.136494  
1 1 1 28 12 12 o 80.05877 2.420982  64.30847       2.735111  69.17831       5.470222  59.43864       5.470222  83.10018 3.291342  77.01736 3.551292  6.082825       4.841963  
1 1 1 28 12 13 o 333.6753 2.163924  1115.930       10.20663  1154.789       20.41327  1077.072       20.41327  339.4981 3.006389  327.8524 3.113179  11.64563       4.327847  
1 1 1 28 12 14 o 91.33038 2.741225  83.78780       3.540397  82.79667       7.080793  84.77892       7.080793  90.78777 3.899640  91.87298 3.853578  -1.085205      5.482450  
1 1 1 28 12 15 o 100.7165 3.242107  103.0193       4.560107  121.5933       9.120214  84.44536       9.120214  109.9375 4.147910  91.49562 4.983962  18.44184       6.484214  
1 1 1 28 12 16 f 80.48706 4.207449  65.66650       4.788827  64.77544       9.577654  66.55755       9.577654  79.93352 5.991012  81.04060 5.909171  -1.107079      8.414899  
1 1 1 28 12 17 o 36.82294 7.829435  13.68985       4.865067  22.70047       9.730133  4.679232       9.730133  45.50780 10.83205  28.13808 11.30783  17.36972       15.65887  
1 1 1 28 12 18 o 80.56528 4.667951  66.55279       5.312977  69.96929       10.62595  63.13628       10.62595  82.68562 6.425516  78.44495 6.772873  4.240662       9.335902  
1 1 1 28 12 19 o 32.37534 8.636168  8.048089       5.799007  16.34396       11.59801  -0.2477801     11.59801  38.35138 12.83906  26.39931 11.55387  11.95207       17.27234  
1 1 1 28 12 20 o 46.38387 9.228122  25.25927       7.080793  9.892144       14.16159  40.62641       14.16159  33.97063 13.64600  58.79711 12.42657  -24.82648      18.45624  
1 1 1 28 12 21 o 29.52661 13.25813  2.763701       16.31536  2.763701       16.31536  ?              ?         29.52661 13.25813  ?        ?         ?              ?         
1 1 1 28 13 0  f 30.82536 9.162126  11.72190       4.907952  11.72190       4.907952  11.72190       4.907952  30.82536 9.162126  30.82536 9.162126  0.000000       0.000000  
1 1 1 28 13 1  o 157.3640 1.450509  247.8134       3.225906  258.2440       6.451812  237.3829       6.451812  160.6781 2.007682  154.0498 2.094067  6.628326       2.901018  
1 1 1 28 13 2  o 176.7321 1.454159  313.7325       3.611871  273.4539       7.223743  354.0111       7.223743  165.3368 2.184554  188.1275 1.919906  -22.79074      2.908319  
1 1 1 28 13 3  o 303.2473 1.927624  920.7556       8.257749  871.2139       16.51550  970.2973       16.51550  295.0788 2.798489  311.4159 2.651679  -16.33707      3.855249  
1 1 1 28 13 4  o 223.6359 1.594732  500.4682       5.041372  517.7936       10.08274  483.1426       10.08274  227.5095 2.215895  219.7623 2.294012  7.747223       3.189464  
1 1 1 28 13 5  o 342.2921 2.113427  1172.467       10.23046  1178.299       20.46092  1166.635       20.46092  343.1440 2.981389  341.4402 2.996267  1.703888       4.226854  
1 1 1 28 13 6  o 263.7521 1.763750  696.5528       6.570938  657.2272       13.14188  735.8784       13.14188  256.2971 2.563797  271.2071 2.422849  -14.91003      3.527500  
1 1 1 28 13 7  o 256.5897 1.693061  660.5007       6.118262  729.6743       12.23652  591.3272       12.23652  270.0691 2.265443  243.1103 2.516661  26.95882       3.386121  
1 1 1 28 13 8  f 97.44487 1.807536  95.59070       2.468271  80.77631       4.936542  110.4051       4.936542  89.84345 2.747302  105.0463 2.349698  -15.20284      3.615073  
1 1 1 28 13 9  o 180.4854 1.610613  327.1031       4.088372  287.5869       8.176744  366.6192       8.176744  169.5382 2.411475  191.4326 2.135671  -21.89439      3.221227  
1 1 1 28 13 10 o 148.9325 1.645378  222.2159       3.459391  237.4686       6.918783  206.9631       6.918783  154.0532 2.245583  143.8118 2.405500  10.24141       3.290756  
1 1 1 28 13 11 o 80.23064 2.329788  64.52290       2.639811  60.62035       5.279623  68.42542       5.279623  77.79856 3.393136  82.66271 3.193473  -4.864151      4.659575  
1 1 1 28 13 12 o 168.3474 1.715545  283.7321       4.083606  289.9980       8.167212  277.4661       8.167212  170.2085 2.399180  166.4864 2.452817  3.722061       3.431089  
1 1 1 28 13 13 o 54.33588 4.235532  30.37689       3.149666  39.09208       6.299332  21.66170       6.299332  62.35562 5.051135  46.31614 6.800364  16.03947       8.471064  
1 1 1 28 13 14 o 103.0109 2.682446  107.8701       3.835827  131.4664       7.671653  84.27382       7.671653  114.4642 3.351114  91.55762 4.189522  22.90659       5.364892  
1 1 1 28 13 15 f 78.29747 3.667086  62.69313       3.978776  76.95478       7.957553  48.43148       7.957553  87.40482 4.552125  69.19012 5.750498  18.21470       7.334171  
1 1 1 28 13 16 o 76.24538 4.614161  59.19085       4.969897  56.05548       9.939795  62.32622       9.939795  74.18927 6.698943  78.30148 6.347131  -4.112213      9.228321  
1 1 1 28 13 17 o 45.47399 8.378428  22.90060       5.627467  15.13365       11.25493  30.66755       11.25493  37.98050 12.64774  52.96749 10.99213  -14.98699      16.75686  
1 1 1 28 13 18 o 110.3897 4.063826  124.6191       6.318392  111.9108       12.63678  137.3273       12.63678  104.6336 6.038587  116.1458 5.440053  -11.51217      8.127651  
1 1 1 28 13 19 o 32.37103 8.688633  3.969247       6.542348  -12.41759      13.08470  20.35609       13.08470  22.78800 10.77023  41.95405 13.63714  -19.16605      17.37727  
1 1 1 28 13 20 o 39.00560 14.28298  17.46850       14.56185  17.46850       14.56185  ?              ?         39.00560 14.28298  ?        ?         ?              ?         
1 1 1 28 14 0  o 261.3990 3.229434  683.8635       16.87764  683.8635       16.87764  683.8635       16.87764  261.3990 3.229434  261.3990 3.229434  0.000000       0.000000  
1 1 1 28 14 1  o 164.3778 1.373795  270.8713       3.183021  296.2783       6.366043  245.4643       6.366043  172.1060 1.849454  156.6496 2.031938  15.45647       2.747590  
1 1 1 28 14 2  o 377.3831 2.203260  1425.865       11.75050  1364.029       23.50099  1487.700       23.50099  369.1905 3.182773  385.5757 3.047519  -16.38528      4.406520  
1 1 1 28 14 3  o 86.96671 1.746947  76.21619       2.125191  89.12460       4.250381  63.30782       4.250381  94.38816 2.251544  79.54524 2.671675  14.84292       3.493895  
1 1 1 28 14 4  o 59.88062 2.453173  36.21878       2.048951  43.09468       4.097902  29.34288       4.097902  65.62196 3.122355  54.13929 3.784591  11.48268       4.906346  
1 1 1 28 14 5  o 216.6454 1.682954  471.9163       5.117613  405.4445       10.23522  538.3881       10.23522  201.3043 2.542227  231.9866 2.205995  -30.68230      3.365908  
1 1 1 28 14 6  o 87.95037 1.787478  77.78866       2.206196  66.70050       4.412392  88.87681       4.412392  81.64673 2.702124  94.25401 2.340692  -12.60728      3.574956  
1 1 1 28 14 7  o 178.9043 1.507129  320.2558       3.812001  311.1070       7.624003  329.4046       7.624003  176.3474 2.161643  181.4612 2.100725  -5.113785      3.014258  
1 1 1 28 14 8  o 36.29568 4.847233  13.64220       2.415856  16.72516       4.831712  10.55925       4.831712  40.82466 5.917639  31.76671 7.678818  9.057953       9.694467  
1 1 1 28 14 9  o 31.71339 5.128512  10.28287       2.554041  17.96406       5.108082  2.601691       5.108082  42.31040 6.036438  21.11637 8.292645  21.19403       10.25702  
1 1 1 28 14 10 o 221.6323 1.685167  491.7053       5.279623  508.3971       10.55925  475.0135       10.55925  225.3980 2.342356  217.8666 2.423328  7.531342       3.370333  
1 1 1 28 14 11 o 92.40276 2.322962  86.24177       2.997186  101.9615       5.994372  70.52203       5.994372  100.9089 2.970191  83.89665 3.572474  17.01221       4.645924  
1 1 1 28 14 12 o 103.5784 2.162642  107.6700       3.159196  98.49259       6.318392  116.8474       6.318392  99.14820 3.186338  108.0085 2.924951  -8.860336      4.325284  
1 1 1 28 14 13 o 145.3101 1.812381  212.1141       3.707171  235.6103       7.414343  188.6178       7.414343  153.3950 2.416749  137.2253 2.701523  16.16972       3.624762  
1 1 1 28 14 14 o 33.38938 7.075186  11.55513       3.654756  14.09487       7.309513  9.015384       7.309513  36.39969 9.815473  30.37908 10.19262  6.020613       14.15037  
1 1 1 28 14 15 o 48.26651 6.237951  24.37775       4.159847  22.44316       8.319694  26.31234       8.319694  45.85831 9.394771  50.67471 8.208922  -4.816395      12.47590  
1 1 1 28 14 16 o 36.22245 8.016752  13.69938       4.679232  17.84017       9.358463  9.558595       9.358463  40.44062 11.19666  32.00428 11.47641  8.436333       16.03350  
1 1 1 28 14 17 o 103.8095 3.687139  109.2996       5.408277  114.5221       10.81655  104.0772       10.81655  106.3249 5.086560  101.2941 5.339185  5.030792       7.374279  
1 1 1 28 14 18 o 100.6287 4.514818  104.3154       6.385102  117.3715       12.77020  91.25932       12.77020  107.1160 5.960924  94.14146 6.782456  12.97453       9.029636  
1 1 1 28 14 19 o 33.86696 9.426638  8.567473       6.899723  15.74357       13.79945  1.391381       13.79945  38.41976 13.92008  29.31416 12.71525  9.105595       18.85328  
1 1 1 28 14 20 o 49.51007 14.03964  30.67708       14.54279  30.67708       14.54279  ?              ?         49.51007 14.03964  ?        ?         ?              ?         
1 1 1 28 15 0  o 68.71655 4.114924  47.75485       5.613173  47.75485       5.613173  47.75485       5.613173  68.71655 4.114924  68.71655 4.114924  0.000000       0.000000  
1 1 1 28 15 1  o 290.0097 1.785484  841.7472       7.319043  810.1933       14.63809  873.3010       14.63809  284.5696 2.571970  295.4499 2.477254  -10.88028      3.570969  
1 1 1 28 15 2  o 498.0543 2.810407  2483.610       19.79382  2449.173       39.58764  2518.046       39.58764  494.5972 4.002007  501.5114 3.946833  -6.914246      5.620814  
1 1 1 28 15 3  o 307.1805 1.956192  945.3620       8.481703  877.7228       16.96341  1013.001       16.96341  296.1708 2.863788  318.1902 2.665608  -22.01938      3.912384  
1 1 1 28 15 4  o 519.7222 2.865502  2704.668       21.06131  2696.057       42.12262  2713.278       42.12262  518.8938 4.058886  520.5505 4.045969  -1.656738      5.731005  
1 1 1 28 15 5  o 226.5594 1.627499  513.9293       5.208147  543.3341       10.41630  484.5245       10.41630  233.0489 2.234788  220.0700 2.366586  12.97885       3.254997  
1 1 1 28 15 6  o 179.4055 1.557659  322.8670       3.935891  356.5079       7.871783  289.2261       7.871783  188.7812 2.084896  170.0298 2.314824  18.75133       3.115317  
1 1 1 28 15 7  f 265.9692 1.825496  707.8315       6.866368  707.4313       13.73274  708.2318       13.73274  265.8940 2.582371  266.0444 2.580910  -0.1504822     3.650991  
1 1 1 28 15 8  f 210.2239 1.623900  442.2208       4.826947  432.1952       9.653894  452.2463       9.653894  207.8394 2.322441  212.6084 2.270347  -4.768997      3.247801  
1 1 1 28 15 9  o 108.2950 1.914068  117.9052       2.911416  102.0568       5.822832  133.7536       5.822832  100.9778 2.883225  115.6122 2.518260  -14.63447      3.828135  
1 1 1 28 15 10 o 134.9220 1.749400  182.4424       3.330736  168.5667       6.661473  196.3181       6.661473  129.7799 2.566451  140.0641 2.378009  -10.28423      3.498799  
1 1 1 28 15 11 o 102.6961 2.069945  106.1547       2.982891  90.94482       5.965783  121.3646       5.965783  95.29079 3.130304  110.1014 2.709223  -14.81059      4.139890  
1 1 1 28 15 12 o 108.4520 2.116572  117.8671       3.244966  121.7267       6.489933  114.0074       6.489933  110.2314 2.943777  106.6725 3.041988  3.558861       4.233145  
1 1 1 28 15 13 o 118.6703 2.138294  141.1727       3.588047  138.3280       7.176094  144.0174       7.176094  117.4717 3.054392  119.8689 2.993309  -2.397148      4.276589  
1 1 1 28 15 14 o 83.91254 3.114973  71.01283       3.683347  64.13692       7.366693  77.88872       7.366693  79.81548 4.614827  88.00961 4.185164  -8.194122      6.229947  
1 1 1 28 15 15 o 53.96609 5.976722  33.14059       4.035956  52.71045       8.071913  13.57072       8.071913  72.17582 5.591840  35.75636 10.56485  36.41946       11.95344  
1 1 1 28 15 16 o 65.12701 5.957161  46.07757       4.984192  63.89867       9.968384  28.25646       9.968384  79.15990 6.296360  51.09413 10.11469  28.06577       11.91432  
1 1 1 28 15 17 o 48.41188 7.951655  25.98832       5.389217  31.55384       10.77843  20.42280       10.77843  53.91178 10.36623  42.91199 12.06054  10.99979       15.90331  
1 1 1 28 15 18 o 66.11577 6.910155  47.30218       6.208797  55.88395       12.41759  38.72041       12.41759  73.03271 8.501393  59.19884 10.89621  13.83387       13.82031  
1 1 1 28 15 19 o 75.38056 6.374264  60.62988       6.794893  59.97231       13.58979  61.28745       13.58979  74.94440 9.066579  75.81673 8.962261  -0.8723297     12.74853  
1 1 1 28 15 20 o 41.21059 14.66601  20.48951       15.25754  20.48951       15.25754  ?              ?         41.21059 14.66601  ?        ?         ?              ?         
1 1 1 28 16 0  o 179.7716 2.824434  323.5150       10.14945  323.5150       10.14945  323.5150       10.14945  179.7716 2.824434  179.7716 2.824434  0.000000       0.000000  
1 1 1 28 16 1  f 294.8264 1.782959  869.6938       7.433403  856.9475       14.86681  882.4401       14.86681  292.6647 2.539904  296.9881 2.502930  -4.323364      3.565918  
1 1 1 28 16 2  o 65.62663 2.185068  43.27575       2.015596  37.77693       4.031191  48.77456       4.031191  61.43716 3.280744  69.81609 2.887007  -8.378929      4.370136  
1 1 1 28 16 3  o 30.44025 4.637988  9.663424       1.939356  8.843843       3.878712  10.48301       3.878712  29.10586 6.782433  31.77464 6.327901  -2.668781      9.275975  
1 1 1 28 16 4  o 87.75134 1.990846  77.39793       2.453976  87.73322       4.907952  67.06264       4.907952  93.64030 2.620641  81.86237 2.997685  11.77794       3.981692  
1 1 1 28 16 5  o 249.9438 1.718913  625.0491       6.075377  615.5048       12.15075  634.5934       12.15075  248.0346 2.449408  251.8531 2.412270  -3.818573      3.437826  
1 1 1 28 16 6  o 286.6802 1.866163  822.6251       7.562057  792.2578       15.12411  852.9925       15.12411  281.3839 2.687452  291.9766 2.589953  -10.59274      3.732326  
1 1 1 28 16 7  o 336.2613 2.105556  1131.841       10.01127  1155.208       20.02254  1108.473       20.02254  339.7359 2.946780  332.7867 3.008315  6.949219       4.211113  
1 1 1 28 16 8  o 96.68847 2.153203  96.21490       2.820881  127.7211       5.641763  64.70872       5.641763  112.9811 2.496773  80.39584 3.508740  32.58525       4.306406  
1 1 1 28 16 9  o 166.9491 1.670063  279.2482       3.935891  259.8546       7.871783  298.6417       7.871783  161.1409 2.442516  172.7573 2.278278  -11.61644      3.340125  
1 1 1 28 16 10 o 247.0839 1.792127  611.0925       6.261212  623.7292       12.52242  598.4557       12.52242  249.6411 2.508086  244.5267 2.560544  5.114365       3.584254  
1 1 1 28 16 11 o 96.31403 2.258327  92.97472       3.073426  97.38711       6.146852  88.56232       6.146852  98.60466 3.116918  94.02340 3.268789  4.581261       4.516654  
1 1 1 28 16 12 o 109.9297 2.191687  121.0978       3.406976  119.2108       6.813953  122.9847       6.813953  109.0715 3.123617  110.7880 3.075222  -1.716484      4.383375  
1 1 1 28 16 13 o 92.62294 2.714707  86.86599       3.511806  102.5142       7.023612  71.21771       7.023612  101.0702 3.474620  84.17565 4.171998  16.89458       5.429415  
1 1 1 28 16 14 o 41.80299 6.100603  19.06477       3.845356  33.47890       7.690712  4.650642       7.690712  57.41449 6.697536  26.19148 10.19865  31.22301       12.20121  
1 1 1 28 16 15 o 134.5038 2.650031  182.1946       5.027077  166.7655       10.05415  197.6237       10.05415  128.7682 3.903974  140.2393 3.584642  -11.47110      5.300063  
1 1 1 28 16 16 o 29.32406 7.341156  4.450512       4.583931  -7.014082      9.167863  15.91511       9.167863  20.37526 9.441943  38.27285 11.24367  -17.89759      14.68231  
1 1 1 28 16 17 o 62.69069 6.996267  41.96537       6.022963  37.02407       12.04593  46.90668       12.04593  58.31286 10.73056  67.06851 8.980312  -8.755650      13.99253  
1 1 1 28 16 18 o 89.88684 5.243822  83.76874       6.661473  80.36652       13.32295  87.17095       13.32295  87.99435 7.570342  91.77934 7.258139  -3.784996      10.48764  
1 1 1 28 16 19 o 32.95394 9.343493  8.038558       6.813953  14.05676       13.62791  2.020361       13.62791  36.69957 13.75232  29.20831 12.65216  7.491268       18.68699  
1 1 1 28 16 20 o 54.92519 14.50522  38.35827       16.17241  38.35827       16.17241  ?              ?         54.92519 14.50522  ?        ?         ?              ?         
1 1 1 28 17 0  o 101.1028 3.136092  102.5524       6.327922  102.5524       6.327922  102.5524       6.327922  101.1028 3.136092  101.1028 3.136092  0.000000       0.000000  
1 1 1 28 17 1  f 65.43082 2.520991  43.65218       2.268141  31.95410       4.536282  55.35026       4.536282  56.49155 4.015009  74.37009 3.049802  -17.87854      5.041983  
1 1 1 28 17 2  o 217.2122 1.550100  472.0879       4.760237  458.7363       9.520474  485.4393       9.520474  214.1388 2.222968  220.2856 2.160939  -6.146744      3.100201  
1 1 1 28 17 3  o 269.7147 1.766322  729.8553       6.709123  652.8910       13.41825  806.8196       13.41825  255.4470 2.626425  283.9824 2.362514  -28.53546      3.532645  
1 1 1 28 17 4  o 125.7179 1.600062  158.1171       2.844706  159.4560       5.689413  156.7781       5.689413  126.2505 2.253224  125.1854 2.272394  1.065056       3.200125  
1 1 1 28 17 5  o 221.6079 1.701933  491.4480       5.332037  476.5764       10.66407  506.3195       10.66407  218.2525 2.443059  224.9632 2.370182  -6.710754      3.403865  
1 1 1 28 17 6  o 159.5771 1.537149  254.7656       3.468921  253.0693       6.937842  256.4619       6.937842  159.0456 2.181086  160.1087 2.166605  -1.063019      3.074298  
1 1 1 28 17 7  f 228.4173 1.695915  522.2442       5.474988  543.2864       10.94998  501.2020       10.94998  233.0234 2.349544  223.8112 2.446253  9.212204       3.391830  
1 1 1 28 17 8  o 139.2851 1.693492  194.1310       3.335501  191.0289       6.671002  197.2330       6.671002  138.1715 2.414030  140.3986 2.375737  -2.227097      3.386985  
1 1 1 28 17 9  o 88.04422 2.241264  77.85060       2.777996  86.38948       5.555993  69.31171       5.555993  92.89342 2.990520  83.19501 3.339138  9.698410       4.482527  
1 1 1 28 17 10 o 81.13294 2.451504  66.04293       2.806586  60.97296       5.613173  71.11288       5.613173  78.00846 3.597797  84.25742 3.330966  -6.248962      4.903008  
1 1 1 28 17 11 o 54.44270 3.731431  29.95280       2.849471  34.33660       5.698943  25.56900       5.698943  58.46877 4.873493  50.41663 5.651848  8.052139       7.462862  
1 1 1 28 17 12 o 97.57025 2.484552  95.93378       3.402211  109.5188       6.804423  82.34876       6.804423  104.5319 3.254711  90.60859 3.754844  13.92332       4.969104  
1 1 1 28 17 13 o 104.2281 2.509018  109.0614       3.697641  106.6693       7.395282  111.4534       7.395282  103.0806 3.587135  105.3756 3.509010  -2.294998      5.018036  
1 1 1 28 17 14 o 83.71292 3.200086  71.10812       3.745291  58.85730       7.490582  83.35895       7.490582  76.39576 4.902486  91.03008 4.114345  -14.63432      6.400172  
1 1 1 28 17 15 o 64.71675 4.917803  43.23286       4.407627  33.34548       8.815253  53.12024       8.815253  57.07778 7.722141  72.35571 6.091608  -15.27793      9.835607  
1 1 1 28 17 16 o 33.07281 8.256482  10.33052       4.903187  13.76132       9.806375  6.899723       9.806375  36.20408 11.80582  29.94155 11.54559  6.262527       16.51296  
1 1 1 28 17 17 o 75.59957 5.765784  61.31604       5.803772  84.14993       11.60754  38.48215       11.60754  90.70144 6.398766  60.49770 9.593377  30.20374       11.53157  
1 1 1 28 17 18 o 28.79338 8.886147  0.3669052      6.823483  1.019710       13.64697  -0.2859001     13.64697  29.11647 12.63737  28.47028 12.49605  0.6461887      17.77229  
1 1 1 28 17 19 o 57.42725 8.426931  38.54887       6.766303  51.76698       13.53261  25.33075       13.53261  69.01910 9.803522  45.83538 13.70925  23.18372       16.85386  
1 1 1 28 17 20 o 59.25817 14.36214  45.52483       16.86811  45.52483       16.86811  ?              ?         59.25817 14.36214  ?        ?         ?              ?         
1 1 1 28 18 0  o 137.0560 2.818769  188.1413       7.719304  188.1413       7.719304  188.1413       7.719304  137.0560 2.818769  137.0560 2.818769  0.000000       0.000000  
1 1 1 28 18 1  o 259.7035 1.718216  674.9006       6.308862  693.1744       12.61772  656.6268       12.61772  263.2217 2.396787  256.1853 2.462617  7.036407       3.436433  
1 1 1 28 18 2  o 425.2375 2.469278  1810.177       14.84775  1843.684       29.69549  1776.669       29.69549  429.1773 3.459584  421.2976 3.524289  7.879700       4.938556  
1 1 1 28 18 3  o 203.7565 1.549453  415.3271       4.464807  416.8519       8.929614  413.8023       8.929614  204.1307 2.187229  203.3824 2.195277  0.7483521      3.098905  
1 1 1 28 18 4  o 189.0923 1.592484  358.1661       4.250381  383.7828       8.500763  332.5495       8.500763  195.8659 2.170047  182.3188 2.331291  13.54716       3.184968  
1 1 1 28 18 5  o 230.7495 1.739172  532.7654       5.675117  526.3993       11.35023  539.1314       11.35023  229.3700 2.474219  232.1289 2.444813  -2.758865      3.478343  
1 1 1 28 18 6  o 39.91967 4.790871  17.29219       2.496861  8.700893       4.993722  25.88349       4.993722  29.02496 8.225901  50.81438 4.913690  -21.78942      9.581742  
1 1 1 28 18 7  o 73.14186 2.589475  53.82546       2.658871  61.31604       5.317742  46.33488       5.317742  78.26245 3.397378  68.02127 3.908882  10.24118       5.178951  
1 1 1 28 18 8  o 245.1216 1.788601  603.5303       6.165912  676.6398       12.33182  530.4210       12.33182  260.0345 2.371191  230.2087 2.678401  29.82579       3.577203  
1 1 1 28 18 9  o 104.0558 2.197490  109.2234       3.197316  128.0356       6.394632  90.41115       6.394632  113.0953 2.827099  95.01631 3.365018  18.07898       4.394979  
1 1 1 28 18 10 o 105.9195 2.113890  113.1974       3.130606  132.7339       6.261212  93.66088       6.261212  115.1418 2.718913  96.69716 3.237537  18.44468       4.227781  
1 1 1 28 18 11 o 103.2979 2.141269  107.0648       3.121076  115.3130       6.242152  98.81661       6.242152  107.2903 2.909001  99.30544 3.142906  7.984879       4.282539  
1 1 1 28 18 12 o 66.83596 3.592219  45.93462       3.283086  32.58308       6.566173  59.28615       6.566173  56.84768 5.775234  76.82425 4.273503  -19.97657      7.184439  
1 1 1 28 18 13 o 76.99428 3.389198  59.86748       3.673816  53.37755       7.347633  66.35742       7.347633  72.77972 5.047857  81.20883 4.523912  -8.429108      6.778395  
1 1 1 28 18 14 o 88.06733 3.047158  78.11744       3.792941  75.08691       7.585882  81.14798       7.585882  86.34675 4.392686  89.78791 4.224335  -3.441162      6.094316  
1 1 1 28 18 15 o 104.0463 2.999068  109.1328       4.412392  111.1008       8.824783  107.1649       8.824783  104.9920 4.202598  103.1006 4.279696  1.891418       5.998136  
1 1 1 28 18 16 o 29.51686 8.061627  6.189738       4.879362  2.601691       9.758724  9.777783       9.758724  26.64849 11.08448  32.38523 11.70870  -5.736740      16.12325  
1 1 1 28 18 17 o 74.55389 5.640207  58.77154       5.765652  42.83736       11.53130  74.70570       11.53130  63.86755 9.027514  85.24024 6.764003  -21.37269      11.28041  
1 1 1 28 18 18 o 28.06094 8.529305  -6.914017      7.056968  -26.00738      14.11394  12.17935       14.11394  20.21825 9.958880  35.90363 13.84980  -15.68538      17.05861  
1 1 1 28 18 19 o 39.43532 14.65063  17.60192       15.40049  17.60192       15.40049  ?              ?         39.43532 14.65063  ?        ?         ?              ?         
1 1 1 28 19 0  o 140.5408 3.102259  197.8810       8.710423  197.8810       8.710423  197.8810       8.710423  140.5408 3.102259  140.5408 3.102259  0.000000       0.000000  
1 1 1 28 19 1  o 326.1514 2.014522  1064.811       9.286988  1104.899       18.57398  1024.723       18.57398  332.2970 2.794785  320.0058 2.902131  12.29123       4.029044  
1 1 1 28 19 2  o 160.0099 1.592256  256.1712       3.602341  250.1531       7.204682  262.1895       7.204682  158.1293 2.278098  161.8905 2.225172  -3.761139      3.184513  
1 1 1 28 19 3  o 304.1317 1.994868  926.1353       8.572238  971.7745       17.14448  880.4962       17.14448  311.6349 2.750731  296.6285 2.889890  15.00641       3.989735  
1 1 1 28 19 4  o 124.1567 1.620435  154.7577       2.830411  136.5745       5.660822  172.9410       5.660822  116.8340 2.422591  131.4794 2.152740  -14.64540      3.240870  
1 1 1 28 19 5  o 227.2642 1.687538  516.8597       5.422573  504.4422       10.84515  529.2773       10.84515  224.5322 2.415053  229.9962 2.357679  -5.463974      3.375075  
1 1 1 28 19 6  o 249.7169 1.774373  623.9675       6.265977  617.2298       12.53195  630.7052       12.53195  248.3678 2.522862  251.0659 2.495750  -2.698151      3.548746  
1 1 1 28 19 7  o 104.1704 2.114713  109.2615       3.087722  125.9866       6.175443  92.53634       6.175443  112.1982 2.752024  96.14259 3.211606  16.05559       4.229427  
1 1 1 28 19 8  o 261.4779 1.860173  684.4877       6.875898  706.8214       13.75180  662.1542       13.75180  265.7485 2.587370  257.2072 2.673291  8.541290       3.720345  
1 1 1 28 19 9  o 72.98151 2.910529  54.84041       2.882826  37.23373       5.765652  72.44709       5.765652  60.91908 4.732222  85.04393 3.389808  -24.12485      5.821059  
1 1 1 28 19 10 o 72.49638 2.999727  53.28701       3.025776  42.34181       6.051552  64.23222       6.051552  64.94759 4.658797  80.04517 3.780086  -15.09759      5.999453  
1 1 1 28 19 11 o 63.45043 3.750607  41.30303       3.264026  52.78669       6.528053  29.81938       6.528053  72.49974 4.502121  54.40112 5.999926  18.09863       7.501214  
1 1 1 28 19 12 o 186.9076 1.891041  350.7375       4.984192  381.3145       9.968384  320.1605       9.968384  195.0873 2.554852  178.7279 2.788705  16.35942       3.782082  
1 1 1 28 19 13 o 159.3421 1.998309  254.5941       4.502927  256.8908       9.005854  252.2973       9.005854  160.0628 2.813226  158.6214 2.838789  1.441376       3.996619  
1 1 1 28 19 14 o 86.54723 3.171036  75.50622       3.878712  72.38991       7.757423  78.62253       7.757423  84.74687 4.576819  88.34759 4.390286  -3.600716      6.342072  
1 1 1 28 19 15 o 130.5798 2.730269  171.7926       5.041372  168.8812       10.08274  174.7040       10.08274  129.4650 3.894005  131.6946 3.828079  -2.229599      5.460537  
1 1 1 28 19 16 o 84.50296 4.275626  73.61452       5.012782  57.50404       10.02556  89.72498       10.02556  74.97047 6.686341  94.03545 5.330736  -19.06498      8.551252  
1 1 1 28 19 17 o 98.29386 4.407110  100.6130       5.970548  75.33468       11.94110  125.8914       11.94110  85.43531 6.988384  111.1524 5.371496  -25.71710      8.814220  
1 1 1 28 19 18 o 106.4389 4.496648  117.4239       6.713887  100.7512       13.42777  134.0967       13.42777  98.60687 6.808742  114.2710 5.875408  -15.66414      8.993297  
1 1 1 28 19 19 o 81.88495 6.971865  74.19108       7.995674  84.96951       15.99135  63.41265       15.99135  88.46639 9.038093  75.30350 10.61793  13.16290       13.94373  
1 1 1 28 20 0  o 34.60690 10.32734  14.80962       6.213562  14.80962       6.213562  14.80962       6.213562  34.60690 10.32734  34.60690 10.32734  0.000000       0.000000  
1 1 1 28 20 1  o 222.6853 1.714963  496.2607       5.398747  480.3217       10.79749  512.1996       10.79749  219.1065 2.463983  226.2641 2.386038  -7.157623      3.429925  
1 1 1 28 20 2  o 285.5401 1.875289  816.5926       7.562057  766.6888       15.12411  866.4965       15.12411  276.8016 2.731942  294.2786 2.569694  -17.47702      3.750577  
1 1 1 28 20 3  o 230.0698 1.635251  529.7729       5.317742  549.7383       10.63548  509.8076       10.63548  234.4088 2.268577  225.7308 2.355789  8.677963       3.270502  
1 1 1 28 20 4  o 228.8261 1.722060  524.0787       5.570287  506.1385       11.14057  542.0190       11.14057  224.9061 2.476717  232.7462 2.393289  -7.840103      3.444119  
1 1 1 28 20 5  o 202.2653 1.769676  409.6996       5.055667  385.8889       10.11133  433.5103       10.11133  196.3793 2.574440  208.1513 2.428842  -11.77203      3.539352  
1 1 1 28 20 6  o 207.1168 1.700889  429.3695       4.979427  413.3544       9.958854  445.3848       9.958854  203.2506 2.449896  210.9830 2.360108  -7.732437      3.401779  
1 1 1 28 20 7  o 127.7425 1.897475  163.3871       3.426036  157.1974       6.852073  169.5769       6.852073  125.3197 2.733836  130.1652 2.632067  -4.845490      3.794949  
1 1 1 28 20 8  o 114.6292 2.032467  131.9763       3.278321  147.1814       6.556643  116.7711       6.556643  121.2615 2.703515  107.9969 3.035571  13.26461       4.064933  
1 1 1 28 20 9  f 155.3540 1.887618  242.4243       4.126492  214.5680       8.252983  270.2805       8.252983  146.3886 2.818861  164.3194 2.511262  -17.93079      3.775237  
1 1 1 28 20 10 o 99.05697 2.269338  98.34010       3.178256  100.8941       6.356512  95.78607       6.356512  100.3461 3.167293  97.76779 3.250821  2.578354       4.538676  
1 1 1 28 20 11 f 97.48438 2.500820  95.78130       3.421271  109.3949       6.842543  82.16769       6.842543  104.4668 3.274983  90.50192 3.780330  13.96492       5.001641  
1 1 1 28 20 12 o 127.6641 2.136202  163.7493       3.845356  149.2494       7.690712  178.2492       7.690712  121.9852 3.152315  133.3430 2.883808  -11.35787      4.272404  
1 1 1 28 20 13 o 37.21966 6.873237  14.83821       3.659522  15.41002       7.319043  14.26642       7.319043  37.91713 9.629721  36.52218 9.809895  1.394951       13.74647  
1 1 1 28 20 14 o 113.7588 2.809937  130.7945       4.488632  148.5918       8.977263  112.9973       8.977263  121.5812 3.691879  105.9365 4.237098  15.64476       5.619873  
1 1 1 28 20 15 o 88.08926 3.845327  78.74165       4.788827  81.03362       9.577654  76.44970       9.577654  89.39019 5.357217  86.78833 5.517824  2.601860       7.690654  
1 1 1 28 20 16 o 37.01339 7.844038  13.23241       5.136672  25.02579       10.27334  1.439031       10.27334  47.65597 10.99468  26.37080 11.19074  21.28517       15.68808  
1 1 1 28 20 17 o 150.0911 3.006385  227.9815       6.380337  232.6846       12.76067  223.2785       12.76067  151.6579 4.207060  148.5244 4.295817  3.133469       6.012770  
1 1 1 28 20 18 o 47.64429 8.776587  26.74596       6.208797  17.56380       12.41759  35.92811       12.41759  39.23732 13.28498  56.05126 11.47271  -16.81394      17.55317  
1 1 1 28 20 19 o 47.97585 15.32460  29.63831       16.57268  29.63831       16.57268  ?              ?         47.97585 15.32460  ?        ?         ?              ?         
1 1 1 28 21 0  o 85.10374 4.352202  73.05701       7.366693  73.05701       7.366693  73.05701       7.366693  85.10374 4.352202  85.10374 4.352202  0.000000       0.000000  
1 1 1 28 21 1  o 282.0656 1.946573  796.6940       7.757423  837.0107       15.51485  756.3773       15.51485  289.2123 2.682259  274.9189 2.821713  14.29340       3.893146  
1 1 1 28 21 2  o 199.9245 1.622158  400.3269       4.579167  374.3576       9.158334  426.2961       9.158334  193.4297 2.367354  206.4193 2.218381  -12.98952      3.244315  
1 1 1 28 21 3  o 153.9629 1.540845  237.1780       3.354562  241.4998       6.709123  232.8561       6.709123  155.3664 2.159129  152.5593 2.198857  2.807068       3.081690  
1 1 1 28 21 4  o 117.4072 1.756013  138.5091       2.897121  156.4827       5.794242  120.5355       5.794242  125.0616 2.316556  109.7528 2.639678  15.30876       3.512026  
1 1 1 28 21 5  o 169.6364 1.686319  287.9252       4.045487  289.1689       8.090974  286.6816       8.090974  170.0030 2.379656  169.2699 2.389962  0.7331390      3.372637  
1 1 1 28 21 6  o 117.8062 1.850639  138.9046       3.082956  136.8032       6.165912  141.0059       6.165912  116.9143 2.636937  118.6980 2.597310  -1.783745      3.701277  
1 1 1 28 21 7  o 300.4220 1.960538  903.4253       8.329224  912.7456       16.65845  894.1049       16.65845  301.9732 2.758266  298.8708 2.786898  3.102386       3.921075  
1 1 1 28 21 8  o 96.95438 2.360392  95.00938       3.192551  112.9305       6.385102  77.08820       6.385102  106.1964 3.006270  87.71231 3.639799  18.48413       4.720783  
1 1 1 28 21 9  o 96.20177 2.497872  92.85081       3.392681  86.67538       6.785362  99.02627       6.785362  92.99214 3.648353  99.41141 3.412769  -6.419266      4.995745  
1 1 1 28 21 10 o 85.15205 2.807751  73.60499       3.321206  89.42956       6.642413  57.78041       6.642413  94.44401 3.516587  75.86011 4.378067  18.58390       5.615502  
1 1 1 28 21 11 o 191.1552 1.778506  366.0284       4.807887  364.6846       9.615773  367.3721       9.615773  190.8038 2.519807  191.5067 2.510558  -0.7029572     3.557012  
1 1 1 28 21 12 o 68.33599 3.783949  47.13063       3.654756  45.29610       7.309513  48.96516       7.309513  66.99371 5.455373  69.67828 5.245188  -2.684570      7.567898  
1 1 1 28 21 13 o 63.85711 4.490126  42.37517       3.902537  29.37147       7.805074  55.37885       7.805074  53.67524 7.270647  74.03897 5.270923  -20.36373      8.980252  
1 1 1 28 21 14 o 84.48567 3.717035  72.23266       4.440981  72.93312       8.881963  71.53220       8.881963  84.90021 5.230825  84.07113 5.282410  0.8290787      7.434070  
1 1 1 28 21 15 o 126.2191 2.820269  160.5996       5.031842  166.2319       10.06368  154.9674       10.06368  128.4502 3.917348  123.9880 4.058331  4.462280       5.640538  
1 1 1 28 21 16 o 36.43044 8.116151  13.35630       5.098552  4.803122       10.19710  21.90948       10.19710  28.51388 11.52740  44.34699 11.42833  -15.83311      16.23230  
1 1 1 28 21 17 o 70.34702 6.283847  52.40073       6.237388  56.24609       12.47478  48.55537       12.47478  73.08015 8.534995  67.61388 9.225010  5.466270       12.56769  
1 1 1 28 21 18 o 112.1056 4.499989  130.5706       7.104619  117.3143       14.20924  143.8268       14.20924  106.1932 6.690278  118.0180 6.019947  -11.82478      8.999977  
1 1 1 28 21 19 o 24.52807 11.73071  -14.79056      16.17241  -14.79056      16.17241  ?              ?         24.52807 11.73071  ?        ?         ?              ?         
1 1 1 28 22 0  o 341.7377 4.132799  1169.350       28.23740  1169.350       28.23740  1169.350       28.23740  341.7377 4.132799  341.7377 4.132799  0.000000       0.000000  
1 1 1 28 22 1  o 29.72883 5.082011  8.958203       2.339616  3.545162       4.679232  14.37125       4.679232  21.61954 8.066913  37.83813 6.183223  -16.21859      10.16402  
1 1 1 28 22 2  o 187.7725 1.556113  352.8055       4.131257  343.8139       8.262513  361.7970       8.262513  185.3782 2.228556  190.1667 2.172439  -4.788528      3.112226  
1 1 1 28 22 3  o 312.8085 1.922127  981.1615       8.476938  892.5325       16.95388  1069.791       16.95388  298.6418 2.838497  326.9752 2.592533  -28.33334      3.844254  
1 1 1 28 22 4  o 246.7339 1.810900  609.8107       6.308862  649.3553       12.61772  570.2659       12.61772  254.7476 2.476515  238.7203 2.642784  16.02727       3.621800  
1 1 1 28 22 5  o 98.43408 2.234323  97.27751       3.097251  87.00894       6.194502  107.5461       6.194502  93.21812 3.322585  103.6501 2.988181  -10.43194      4.468646  
1 1 1 28 22 6  o 117.8051 1.916678  138.9284       3.192551  142.1972       6.385102  135.6596       6.385102  119.1925 2.678484  116.4177 2.742324  2.774742       3.833356  
1 1 1 28 22 7  o 182.8494 1.643865  334.6127       4.250381  340.2688       8.500763  328.9567       8.500763  184.3960 2.305029  181.3027 2.344356  3.093277       3.287730  
1 1 1 28 22 8  o 162.8205 1.851592  265.5488       4.259912  252.9358       8.519823  278.1618       8.519823  158.9472 2.680079  166.6938 2.555532  -7.746536      3.703184  
1 1 1 28 22 9  o 214.5678 1.843600  461.2903       5.589347  483.6763       11.17869  438.9044       11.17869  219.7843 2.543106  209.3513 2.669842  10.43304       3.687200  
1 1 1 28 22 10 o 138.3489 1.994845  191.7532       3.902537  188.3033       7.805074  195.2031       7.805074  137.1021 2.846446  139.5957 2.795599  -2.493591      3.989690  
1 1 1 28 22 11 o 49.51808 4.935978  24.89237       3.454626  25.85490       6.909253  23.92984       6.909253  50.48998 6.842203  48.54618 7.116164  1.943794       9.871957  
1 1 1 28 22 12 o 122.2012 2.423609  149.9451       4.188437  150.3167       8.376874  149.5734       8.376874  122.3533 3.423233  122.0491 3.431764  0.3041458      4.847219  
1 1 1 28 22 13 o 61.30059 4.832048  38.24390       4.188437  38.95866       8.376874  37.52915       8.376874  61.88358 6.768253  60.71760 6.898225  1.165977       9.664097  
1 1 1 28 22 14 o 78.35815 4.376080  62.78843       4.822182  55.27402       9.644363  70.30284       9.644363  73.56324 6.555151  83.15306 5.799163  -9.589821      8.752160  
1 1 1 28 22 15 o 32.17081 8.421149  9.244102       5.089022  10.01603       10.17804  8.472174       10.17804  32.83273 11.94901  31.50890 11.86946  1.323832       16.84230  
1 1 1 28 22 16 o 184.5198 2.620634  343.6519       6.833013  359.4813       13.66603  327.8226       13.66603  188.8091 3.619006  180.2304 3.791265  8.578659       5.241268  
1 1 1 28 22 17 o 36.66694 8.763286  11.85532       6.299332  25.79772       12.59866  -2.087071      12.59866  46.90797 12.99247  26.42592 11.76335  20.48205       17.52657  
1 1 1 28 22 18 o 51.04604 8.342752  30.11005       7.257098  55.86488       14.51420  4.355212       14.51420  71.20226 10.19223  30.88980 13.21077  40.31246       16.68550  
1 1 1 28 22 19 o 35.48097 14.59770  14.51420       16.66798  14.51420       16.66798  ?              ?         35.48097 14.59770  ?        ?         ?              ?         
1 1 1 28 23 0  o 292.9298 3.741083  859.0536       21.90948  859.0536       21.90948  859.0536       21.90948  292.9298 3.741083  292.9298 3.741083  0.000000       0.000000  
1 1 1 28 23 1  o 133.3010 1.645706  177.7965       3.102016  181.1082       6.204032  174.4848       6.204032  134.5432 2.305592  132.0588 2.348966  2.484360       3.291412  
1 1 1 28 23 2  o 175.3059 1.616955  307.7906       4.002602  288.1206       8.005203  327.4605       8.005203  169.6958 2.358693  180.9161 2.212408  -11.22034      3.233911  
1 1 1 28 23 3  o 140.5085 1.726879  198.1240       3.416506  219.4283       6.833013  176.8197       6.833013  148.0896 2.307053  132.9274 2.570206  15.16229       3.453759  
1 1 1 28 23 4  f 108.4803 2.046291  119.8160       3.059131  88.95306       6.118262  150.6789       6.118262  94.25512 3.245586  122.7054 2.493070  -28.45026      4.092582  
1 1 1 28 23 5  o 168.0134 1.779290  282.7743       4.221792  265.5154       8.443583  300.0331       8.443583  162.8772 2.592009  173.1495 2.438235  -10.27231      3.558581  
1 1 1 28 23 6  o 247.6695 1.892996  614.4136       6.623353  646.9824       13.24671  581.8448       13.24671  254.2445 2.605111  241.0944 2.747203  13.15012       3.785991  
1 1 1 28 23 7  o 111.8717 2.121906  125.6293       3.345031  137.8801       6.690063  113.3784       6.690063  117.3471 2.850545  106.3963 3.143935  10.95077       4.243812  
1 1 1 28 23 8  o 95.57350 2.420628  91.59286       3.268791  96.08150       6.537583  87.10423       6.537583  97.92177 3.338166  93.22523 3.506337  4.696533       4.841256  
1 1 1 28 23 9  o 117.4583 2.313315  140.1530       3.764351  172.4454       7.528703  107.8606       7.528703  131.2046 2.869069  103.7120 3.629621  27.49268       4.626630  
1 1 1 28 23 10 o 86.45943 3.064053  77.17397       3.592812  102.0949       7.185624  52.25301       7.185624  100.8714 3.561775  72.04749 4.986727  28.82388       6.128107  
1 1 1 28 23 11 o 202.4953 1.885462  410.9576       5.398747  403.4527       10.79749  418.4625       10.79749  200.6422 2.690734  204.3484 2.641933  -3.706192      3.770923  
1 1 1 28 23 12 o 160.8186 2.229240  259.5449       5.069962  260.7028       10.13992  258.3870       10.13992  161.1786 3.145556  160.4586 3.159671  0.7200012      4.458479  
1 1 1 28 23 13 o 128.1757 2.621388  165.2026       4.750707  161.2572       9.501413  169.1480       9.501413  126.6367 3.751447  129.7148 3.662424  -3.078140      5.242776  
1 1 1 28 23 14 o 160.0679 2.396259  257.7151       5.422573  265.4297       10.84515  250.0006       10.84515  162.4777 3.337426  157.6581 3.439449  4.819550       4.792518  
1 1 1 28 23 15 o 77.69046 4.889704  61.90214       5.370157  59.90561       10.74031  63.89867       10.74031  76.40553 7.028493  78.97539 6.799786  -2.569855      9.779408  
1 1 1 28 23 16 o 34.33791 8.893473  10.20663       5.984842  17.88782       11.96968  2.525451       11.96968  40.13711 13.04316  28.53872 12.09344  11.59840       17.78695  
1 1 1 28 23 17 f 49.09566 7.937598  27.57030       6.070612  9.911204       12.14122  45.22940       12.14122  33.19436 12.83703  64.99697 9.339840  -31.80261      15.87520  
1 1 1 28 23 18 o 75.14333 6.966211  62.21186       7.400048  60.40116       14.80010  64.02257       14.80010  73.93849 10.00838  76.34815 9.692505  -2.409660      13.93242  
1 1 1 28 24 0  o 25.06523 12.54429  9.367994       7.614474  9.367994       7.614474  9.367994       7.614474  25.06523 12.54429  25.06523 12.54429  0.000000       0.000000  
1 1 1 28 24 1  o 107.3508 1.908324  115.3369       2.897121  116.0278       5.794242  114.6459       5.794242  107.6726 2.690675  107.0290 2.706856  0.6436157      3.816648  
1 1 1 28 24 2  o 60.33737 3.067220  36.71910       2.592161  30.88674       5.184323  42.55146       5.184323  55.50424 4.670204  65.17049 3.977507  -9.666252      6.134441  
1 1 1 28 24 3  o 102.0771 2.039020  104.5013       2.935241  113.5214       5.870482  95.48111       5.870482  106.4954 2.756215  97.65877 3.005610  8.836601       4.078040  
1 1 1 28 24 4  o 134.3821 1.835429  180.9081       3.483216  191.9915       6.966432  169.8247       6.966432  138.5060 2.514850  130.2583 2.674084  8.247665       3.670857  
1 1 1 28 24 5  o 154.2725 1.949995  239.0983       4.231322  267.7455       8.462644  210.4511       8.462644  163.5571 2.587061  144.9879 2.918397  18.56921       3.899991  
1 1 1 28 24 6  o 222.1750 1.814715  496.2177       5.665587  560.6120       11.33117  431.8235       11.33117  236.6667 2.393909  207.6832 2.727996  28.98358       3.629430  
1 1 1 28 24 7  o 208.2723 1.782933  434.5348       5.246267  456.8493       10.49253  412.2203       10.49253  213.6293 2.455781  202.9152 2.585448  10.71411       3.565866  
1 1 1 28 24 8  o 114.9606 2.289615  132.6958       3.711936  121.2312       7.423873  144.1604       7.423873  109.9743 3.375276  119.9469 3.094649  -9.972626      4.579230  
1 1 1 28 24 9  o 22.50992 6.542100  -0.9529991E-01 3.611871  5.641763       7.223743  -5.832363      7.223743  26.81800 10.01981  18.20184 8.414255  8.616158       13.08420  
1 1 1 28 24 10 o 50.18135 5.131847  25.61189       3.635697  27.31299       7.271393  23.91078       7.271393  51.87630 7.008396  48.48639 7.498386  3.389915       10.26369  
1 1 1 28 24 11 o 27.98508 6.699271  5.184323       3.740526  -3.640462      7.481052  14.00911       7.481052  19.74133 8.915024  36.22882 10.00216  -16.48749      13.39854  
1 1 1 28 24 12 o 71.18429 4.067404  51.35719       4.088372  48.11699       8.176744  54.59740       8.176744  68.90836 5.933056  73.46021 5.565423  -4.551849      8.134808  
1 1 1 28 24 13 o 121.3521 2.818506  148.3631       4.836477  145.7328       9.672954  150.9934       9.672954  120.2683 4.021405  122.4358 3.950215  -2.167480      5.637011  
1 1 1 28 24 14 o 41.32714 8.002604  18.75981       4.822182  20.07972       9.644363  17.43991       9.644363  42.72807 11.16352  39.92621 11.46920  2.801861       16.00521  
1 1 1 28 24 15 o 94.73553 4.394525  91.77394       5.884778  94.99508       11.76956  88.55280       11.76956  96.43560 6.102287  93.03546 6.325306  3.400139       8.789050  
1 1 1 28 24 16 o 75.14484 5.829267  59.26709       6.180207  63.74620       12.36041  54.78799       12.36041  78.12514 7.910651  72.16452 8.564053  5.960625       11.65853  
1 1 1 28 24 17 o 63.11349 7.890022  47.18305       6.585233  70.45531       13.17047  23.91078       13.17047  81.57872 8.072244  44.64826 13.55908  36.93046       15.78004  
1 1 1 28 24 18 o 25.99575 11.90702  -5.136672      14.07582  -5.136672      14.07582  ?              ?         25.99575 11.90702  ?        ?         ?              ?         
1 1 1 28 25 0  o 48.03674 8.584662  25.08297       7.509643  25.08297       7.509643  25.08297       7.509643  48.03674 8.584662  48.03674 8.584662  0.000000       0.000000  
1 1 1 28 25 1  o 192.5372 1.672983  370.9696       4.555342  371.4414       9.110683  370.4980       9.110683  192.6597 2.364450  192.4147 2.367461  0.2450104      3.345967  
1 1 1 28 25 2  o 151.6214 1.823926  230.2258       3.907302  241.7000       7.814603  218.7517       7.814603  155.4052 2.514267  147.8376 2.642970  7.567627       3.647853  
1 1 1 28 25 3  o 165.0013 1.671114  272.5247       3.897772  281.8689       7.795544  263.1806       7.795544  167.8328 2.322414  162.1697 2.403514  5.663071       3.342227  
1 1 1 28 25 4  o 69.08551 3.180120  48.35048       3.059131  58.05678       6.118262  38.64417       6.118262  76.11037 4.019336  62.06066 4.929260  14.04971       6.360240  
1 1 1 28 25 5  o 234.0699 1.953045  549.0188       6.456578  581.4446       12.91316  516.5930       12.91316  240.9964 2.679117  227.1434 2.842512  13.85307       3.906091  
1 1 1 28 25 6  o 64.68271 3.779070  43.33293       3.297381  58.14256       6.594762  28.52330       6.594762  76.13062 4.331216  53.23481 6.194033  22.89581       7.558139  
1 1 1 28 25 7  o 115.2437 2.093528  133.0532       3.411741  131.1138       6.823483  134.9925       6.823483  114.4023 2.982232  116.0851 2.939000  -1.682823      4.187056  
1 1 1 28 25 8  o 168.1634 1.964542  283.9226       4.655407  256.3381       9.310814  311.5072       9.310814  159.9617 2.910326  176.3652 2.639641  -16.40344      3.929084  
1 1 1 28 25 9  o 111.8155 2.492943  126.5013       3.893007  149.3447       7.786013  103.6578       7.786013  122.0303 3.190196  101.6008 3.831671  20.42957       4.985886  
1 1 1 28 25 10 o 181.6570 1.962524  330.7864       5.041372  335.4942       10.08274  326.0786       10.08274  182.9528 2.755560  180.3612 2.795154  2.591599       3.925047  
1 1 1 28 25 11 o 60.30095 4.749396  37.08124       4.026426  41.63659       8.052853  32.52590       8.052853  64.07813 6.283622  56.52378 7.123421  7.554348       9.498792  
1 1 1 28 25 12 o 70.89558 4.358121  50.99506       4.369507  51.11895       8.739014  50.87116       8.739014  70.98296 6.155713  70.80820 6.170905  0.1747513      8.716242  
1 1 1 28 25 13 o 66.52934 5.417306  46.36824       4.946072  58.87636       9.892144  33.86010       9.892144  75.92980 6.514007  57.12888 8.657744  18.80093       10.83461  
1 1 1 28 25 14 o 93.50510 4.296195  90.37778       5.551227  112.0633       11.10245  68.69226       11.10245  105.1010 5.281802  81.90919 6.777296  23.19182       8.592390  
1 1 1 28 25 15 o 120.0967 3.359660  147.0003       5.665587  127.1207       11.33117  166.8799       11.33117  111.8202 5.066695  128.3732 4.413373  -16.55299      6.719320  
1 1 1 28 25 16 o 46.01963 8.768978  24.60171       5.999137  31.64914       11.99827  17.55427       11.99827  52.62131 11.70681  39.41795 13.05873  13.20337       17.53796  
1 1 1 28 25 17 o 79.61179 6.403765  68.95435       7.071262  83.35895       14.14252  54.54974       14.14252  88.65856 7.975838  70.56500 10.02092  18.09356       12.80753  
1 1 1 28 25 18 o 31.79821 13.41667  7.852723       14.62856  7.852723       14.62856  ?              ?         31.79821 13.41667  ?        ?         ?              ?         
1 1 1 28 26 0  o 161.1595 3.522217  260.3025       11.34070  260.3025       11.34070  260.3025       11.34070  161.1595 3.522217  161.1595 3.522217  0.000000       0.000000  
1 1 1 28 26 1  o 117.0875 1.975277  137.5561       3.259262  150.8600       6.518523  124.2522       6.518523  122.7686 2.654799  111.4063 2.925563  11.36234       3.950554  
1 1 1 28 26 2  o 116.9487 1.976984  138.2756       3.221142  110.9674       6.442283  165.5838       6.442283  105.2734 3.059787  128.6240 2.504308  -23.35060      3.953968  
1 1 1 28 26 3  o 93.57167 2.472161  88.61475       3.221142  70.83652       6.442283  106.3930       6.442283  84.07188 3.831414  103.0715 3.125153  -18.99959      4.944321  
1 1 1 28 26 4  o 36.21276 5.775411  13.66126       2.997186  8.967733       5.994372  18.35479       5.994372  29.74995 9.170404  42.67558 7.023189  -12.92563      11.55082  
1 1 1 28 26 5  f 36.90612 6.003268  14.18065       3.349797  5.832363       6.699593  22.52893       6.699593  26.54993 9.691329  47.26231 7.087669  -20.71239      12.00654  
1 1 1 28 26 6  o 72.57600 3.188235  53.32990       3.230671  63.06004       6.461343  43.59977       6.461343  79.27941 4.075045  65.87259 4.904425  13.40682       6.376471  
1 1 1 28 26 7  o 156.1519 2.062961  245.1308       4.531517  274.1591       9.063033  216.1024       9.063033  165.4468 2.738957  146.8569 3.085668  18.58986       4.125922  
1 1 1 28 26 8  o 36.99171 6.850518  14.51896       3.649991  12.36041       7.299983  16.67751       7.299983  34.36255 10.01336  39.62088 9.351520  -5.258335      13.70104  
1 1 1 28 26 9  o 73.28695 3.593068  54.14949       3.721466  56.42715       7.442933  51.87181       7.442933  74.84089 4.972505  71.73301 5.187942  3.107880       7.186135  
1 1 1 28 26 10 o 180.3594 2.057271  326.3073       5.246267  318.4546       10.49253  334.1600       10.49253  178.1825 2.944323  182.5364 2.874094  -4.353912      4.114542  
1 1 1 28 26 11 o 84.68298 3.705324  72.97125       4.388567  85.29353       8.777133  60.64895       8.777133  91.95852 4.772333  77.40743 5.669438  14.55109       7.410647  
1 1 1 28 26 12 o 168.7556 2.282189  286.2956       5.441632  272.2627       10.88326  300.3285       10.88326  164.5978 3.306018  172.9133 3.147029  -8.315536      4.564378  
1 1 1 28 26 13 o 63.16730 6.112822  43.72842       4.922247  61.93550       9.844495  25.52135       9.844495  77.94580 6.314961  48.38881 10.46841  29.55700       12.22564  
1 1 1 28 26 14 o 60.19057 6.777187  38.67276       5.589347  44.02862       11.17869  33.31689       11.17869  65.06200 8.590802  55.31915 10.48423  9.742855       13.55437  
1 1 1 28 26 15 o 100.0900 4.320327  102.8097       6.099203  94.39469       12.19841  111.2247       12.19841  95.88632 6.360868  104.2937 5.848100  -8.407417      8.640655  
1 1 1 28 26 16 o 22.80968 7.568993  -14.75721      6.513757  -1.601040      13.02751  -27.91338      13.02751  27.02172 11.99969  18.59765 9.228548  8.424068       15.13799  
1 1 1 28 26 17 o 29.89310 12.91351  3.325971       14.12347  3.325971       14.12347  ?              ?         29.89310 12.91351  ?        ?         ?              ?         
1 1 1 28 27 0  o 89.31146 4.961924  80.65242       8.805723  80.65242       8.805723  80.65242       8.805723  89.31146 4.961924  89.31146 4.961924  0.000000       0.000000  
1 1 1 28 27 1  o 183.1133 1.627093  336.9142       4.188437  379.2274       8.376874  294.6010       8.376874  194.6671 2.151589  171.5594 2.441391  23.10768       3.254186  
1 1 1 28 27 2  o 58.17693 3.821737  34.47479       3.078191  42.52288       6.156383  26.42670       6.156383  65.09384 4.728852  51.26003 6.005052  13.83382       7.643474  
1 1 1 28 27 3  o 302.1501 2.007235  914.1561       8.577003  915.4712       17.15401  912.8409       17.15401  302.3678 2.836613  301.9325 2.840703  0.4352722      4.014470  
1 1 1 28 27 4  o 105.2162 2.316584  110.9578       3.445096  115.2463       6.890193  106.6693       6.890193  107.2542 3.212086  103.1783 3.338975  4.075897       4.633169  
1 1 1 28 27 5  o 193.8839 1.936773  376.5876       5.308212  363.8460       10.61642  389.3293       10.61642  190.5980 2.785031  197.1698 2.692204  -6.571777      3.873546  
1 1 1 28 27 6  o 25.36152 6.894001  4.169377       3.540397  1.877411       7.080793  6.461343       7.080793  23.18037 9.521911  27.54267 9.972073  -4.362299      13.78800  
1 1 1 28 27 7  f 152.5420 2.127370  233.2230       4.588697  228.8249       9.177394  237.6211       9.177394  151.1004 3.036853  153.9836 2.979990  -2.883209      4.254741  
1 1 1 28 27 8  o 116.4949 2.601029  136.2981       4.283737  140.3388       8.567473  132.2574       8.567473  118.2292 3.623248  114.7606 3.732759  3.468575       5.202059  
1 1 1 28 27 9  o 117.6636 2.462665  138.9999       4.097902  139.3287       8.195804  138.6711       8.195804  117.8033 3.478596  117.5239 3.486867  0.2794266      4.925330  
1 1 1 28 27 10 o 111.0402 2.861447  124.2903       4.479102  112.9019       8.958203  135.6787       8.958203  105.9121 4.229073  116.1682 3.855704  -10.25607      5.722894  
1 1 1 28 27 11 o 97.64534 3.345827  96.79148       4.574402  112.3397       9.148804  81.24328       9.148804  105.6069 4.331537  89.68377 5.100591  15.92314       6.691654  
1 1 1 28 27 12 o 73.56050 4.729919  55.37885       4.912717  58.90495       9.825435  51.85275       9.825435  75.95724 6.467740  71.16377 6.903396  4.793465       9.459838  
1 1 1 28 27 13 o 52.62774 6.728319  29.51919       4.879362  26.05503       9.758724  32.98335       9.758724  48.89836 10.30152  56.35711 8.657935  -7.458752      13.45664  
1 1 1 28 27 14 o 161.0398 2.818586  262.1752       6.408928  279.1052       12.81786  245.2451       12.81786  166.2963 3.853921  155.7833 4.114000  10.51295       5.637172  
1 1 1 28 27 15 o 71.28001 6.090381  53.74922       6.127792  57.36110       12.25558  50.13735       12.25558  73.81360 8.301713  68.74644 8.913615  5.067162       12.18076  
1 1 1 28 27 16 o 49.91629 8.208372  28.57095       6.761538  50.68056       13.52308  6.461343       13.52308  68.23823 9.908724  31.59435 13.08918  36.64388       16.41674  
1 1 1 28 27 17 f 74.33163 8.048386  63.88915       8.067148  77.30739       16.13430  50.47089       16.13430  83.85647 9.620187  64.80680 12.90574  19.04967       16.09677  
1 1 1 28 28 0  o 142.7154 5.415842  204.8093       15.41002  204.8093       15.41002  204.8093       15.41002  142.7154 5.415842  142.7154 5.415842  0.000000       0.000000  
1 1 1 28 28 1  o 130.1637 4.105390  170.1773       10.66407  170.1773       10.66407  170.1773       10.66407  130.1637 4.105390  130.1637 4.105390  0.000000       0.000000  
1 1 1 28 28 2  o 394.9966 4.790749  1564.141       37.83411  1564.141       37.83411  1564.141       37.83411  394.9966 4.790749  394.9966 4.790749  0.000000       0.000000  
1 1 1 28 28 3  o 129.0737 4.177530  167.4041       10.75937  167.4041       10.75937  167.4041       10.75937  129.0737 4.177530  129.0737 4.177530  0.000000       0.000000  
1 1 1 28 28 4  o 57.85225 8.983448  35.46114       9.825435  35.46114       9.825435  35.46114       9.825435  57.85225 8.983448  57.85225 8.983448  0.000000       0.000000  
1 1 1 28 28 5  o 52.33335 10.07884  30.38165       9.444233  30.38165       9.444233  30.38165       9.444233  52.33335 10.07884  52.33335 10.07884  0.000000       0.000000  
1 1 1 28 28 6  o 239.2301 3.952165  573.8587       18.89800  573.8587       18.89800  573.8587       18.89800  239.2301 3.952165  239.2301 3.952165  0.000000       0.000000  
1 1 1 28 28 7  o 28.39784 14.97751  12.21746       11.20728  12.21746       11.20728  12.21746       11.20728  28.39784 14.97751  28.39784 14.97751  0.000000       0.000000  
1 1 1 28 28 8  o 174.3056 4.242823  305.2079       14.77151  305.2079       14.77151  305.2079       14.77151  174.3056 4.242823  174.3056 4.242823  0.000000       0.000000  
1 1 1 28 28 9  o 298.2188 4.397747  892.9519       26.21704  892.9519       26.21704  892.9519       26.21704  298.2188 4.397747  298.2188 4.397747  0.000000       0.000000  
1 1 1 28 28 10 o 23.47914 14.51317  5.289153       13.10376  5.289153       13.10376  5.289153       13.10376  23.47914 14.51317  23.47914 14.51317  0.000000       0.000000  
1 1 1 28 28 11 o 140.3852 5.332115  199.2343       14.92399  199.2343       14.92399  199.2343       14.92399  140.3852 5.332115  140.3852 5.332115  0.000000       0.000000  
1 1 1 28 28 12 o 73.79372 9.187096  56.07455       13.75180  56.07455       13.75180  56.07455       13.75180  73.79372 9.187096  73.79372 9.187096  0.000000       0.000000  
1 1 1 28 28 13 o 117.1650 6.852790  140.3865       15.94370  140.3865       15.94370  140.3865       15.94370  117.1650 6.852790  117.1650 6.852790  0.000000       0.000000  
1 1 1 28 28 14 o 49.23955 16.55551  32.98335       14.52373  32.98335       14.52373  32.98335       14.52373  49.23955 16.55551  49.23955 16.55551  0.000000       0.000000  
1 1 1 28 28 15 o 86.05135 11.10516  81.06221       18.60257  81.06221       18.60257  81.06221       18.60257  86.05135 11.10516  86.05135 11.10516  0.000000       0.000000  
1 1 1 28 28 16 o 92.71905 11.53678  95.36675       20.85165  95.36675       20.85165  95.36675       20.85165  92.71905 11.53678  92.71905 11.53678  0.000000       0.000000  
1 1 1 29 0  1  o 181.5258 2.949585  329.8525       10.70220  329.8525       10.70220  329.8525       10.70220  181.5258 2.949585  181.5258 2.949585  0.000000       0.000000  
1 1 1 29 0  2  o 586.9327 6.270697  3449.756       73.59069  3449.756       73.59069  3449.756       73.59069  586.9327 6.270697  586.9327 6.270697  0.000000       0.000000  
1 1 1 29 0  3  o 194.4984 2.637171  378.5794       10.25428  378.5794       10.25428  378.5794       10.25428  194.4984 2.637171  194.4984 2.637171  0.000000       0.000000  
1 1 1 29 0  4  o 206.6351 3.003831  427.3635       12.40806  427.3635       12.40806  427.3635       12.40806  206.6351 3.003831  206.6351 3.003831  0.000000       0.000000  
1 1 1 29 0  5  o 274.2487 4.008533  752.9941       21.97619  752.9941       21.97619  752.9941       21.97619  274.2487 4.008533  274.2487 4.008533  0.000000       0.000000  
1 1 1 29 0  6  o 573.3157 7.327436  3294.989       83.98792  3294.989       83.98792  3294.989       83.98792  573.3157 7.327436  573.3157 7.327436  0.000000       0.000000  
1 1 1 29 0  7  o 459.4285 5.875583  2114.594       53.96841  2114.594       53.96841  2114.594       53.96841  459.4285 5.875583  459.4285 5.875583  0.000000       0.000000  
1 1 1 29 0  8  o 205.3014 3.874472  422.1887       15.89605  422.1887       15.89605  422.1887       15.89605  205.3014 3.874472  205.3014 3.874472  0.000000       0.000000  
1 1 1 29 0  9  o 17.95115 11.15279  2.515921       7.814603  2.515921       7.814603  2.515921       7.814603  17.95115 11.15279  17.95115 11.15279  0.000000       0.000000  
1 1 1 29 0  10 o 135.6295 4.026984  184.5866       10.90232  184.5866       10.90232  184.5866       10.90232  135.6295 4.026984  135.6295 4.026984  0.000000       0.000000  
1 1 1 29 0  11 o 250.5144 4.164339  628.6943       20.85165  628.6943       20.85165  628.6943       20.85165  250.5144 4.164339  250.5144 4.164339  0.000000       0.000000  
1 1 1 29 0  12 o 257.8044 3.378147  665.4611       17.41132  665.4611       17.41132  665.4611       17.41132  257.8044 3.378147  257.8044 3.378147  0.000000       0.000000  
1 1 1 29 0  13 o 157.3569 3.902553  248.3900       12.26511  248.3900       12.26511  248.3900       12.26511  157.3569 3.902553  157.3569 3.902553  0.000000       0.000000  
1 1 1 29 0  14 o 90.21949 4.722678  82.25346       8.472174  82.25346       8.472174  82.25346       8.472174  90.21949 4.722678  90.21949 4.722678  0.000000       0.000000  
1 1 1 29 0  15 o 95.70185 4.896650  92.63163       9.320344  92.63163       9.320344  92.63163       9.320344  95.70185 4.896650  95.70185 4.896650  0.000000       0.000000  
1 1 1 29 0  16 o 23.14920 13.86662  6.366043       11.20728  6.366043       11.20728  6.366043       11.20728  23.14920 13.86662  23.14920 13.86662  0.000000       0.000000  
1 1 1 29 0  17 o 32.61393 14.82250  16.09618       10.38770  16.09618       10.38770  16.09618       10.38770  32.61393 14.82250  32.61393 14.82250  0.000000       0.000000  
1 1 1 29 0  18 o 41.02751 17.19780  25.04485       14.08535  25.04485       14.08535  25.04485       14.08535  41.02751 17.19780  41.02751 17.19780  0.000000       0.000000  
1 1 1 29 0  19 o 23.42421 15.03491  3.440331       15.43861  3.440331       15.43861  3.440331       15.43861  23.42421 15.03491  23.42421 15.03491  0.000000       0.000000  
1 1 1 29 0  20 o 49.43709 19.19961  36.78582       17.99265  36.78582       17.99265  36.78582       17.99265  49.43709 19.19961  49.43709 19.19961  0.000000       0.000000  
1 1 1 29 0  21 o 19.88130 13.39153  -2.525451      14.76198  -2.525451      14.76198  -2.525451      14.76198  19.88130 13.39153  19.88130 13.39153  0.000000       0.000000  
1 1 1 29 1  0  o 44.33674 4.433198  20.25126       3.859652  20.25126       3.859652  20.25126       3.859652  44.33674 4.433198  44.33674 4.433198  0.000000       0.000000  
1 1 1 29 1  1  o 345.5245 2.001956  1195.920       9.763488  1110.017       19.52698  1281.824       19.52698  333.0936 2.931154  357.9554 2.727571  -24.86176      4.003912  
1 1 1 29 1  2  f 282.1046 1.795128  796.8131       7.152268  844.1677       14.30454  749.4586       14.30454  290.4977 2.462074  273.7115 2.613068  16.78619       3.590255  
1 1 1 29 1  3  o 174.7292 1.230924  307.0615       3.016246  352.7150       6.032492  261.4080       6.032492  187.7933 1.606152  161.6652 1.865736  26.12813       2.461848  
1 1 1 29 1  4  o 99.13733 1.730178  98.32581       2.425386  100.2461       4.850772  96.40551       4.850772  100.1058 2.422822  98.16882 2.470628  1.937004       3.460357  
1 1 1 29 1  5  o 316.1943 2.196470  1000.493       9.820669  1018.557       19.64134  982.4290       19.64134  319.0508 3.078089  313.3378 3.134211  5.712982       4.392939  
1 1 1 29 1  6  o 436.9872 2.926887  1911.981       18.08795  1914.816       36.17590  1909.146       36.17590  437.3116 4.136169  436.6628 4.142315  0.6488342      5.853775  
1 1 1 29 1  7  o 159.3819 2.025312  254.1938       4.564872  256.8145       9.129744  251.5730       9.129744  160.2040 2.849411  158.5597 2.878961  1.644318       4.050625  
1 1 1 29 1  8  o 108.3540 2.257667  117.5050       3.459391  116.1993       6.918783  118.8105       6.918783  107.7516 3.210526  108.9565 3.175020  -1.204941      4.515333  
1 1 1 29 1  9  o 244.3013 1.923280  598.4890       6.623353  653.9202       13.24671  543.0577       13.24671  255.6462 2.590828  232.9564 2.843172  22.68973       3.846559  
1 1 1 29 1  10 o 126.7295 1.997279  160.7616       3.578516  156.2540       7.157033  165.2693       7.157033  124.9510 2.863935  128.5079 2.784666  -3.556938      3.994557  
1 1 1 29 1  11 o 131.7498 2.179131  173.7749       4.059782  176.6767       8.119563  170.8730       8.119563  132.8511 3.055889  130.6485 3.107408  2.202576       4.358261  
1 1 1 29 1  12 o 85.82119 1.614315  73.72411       1.958416  71.18913       3.916832  76.25909       3.916832  84.34429 2.321930  87.29809 2.243366  -2.953796      3.228630  
1 1 1 29 1  13 o 215.5063 1.776417  465.2595       5.408277  440.5530       10.81655  489.9661       10.81655  209.7740 2.578144  221.2385 2.444546  -11.46443      3.552835  
1 1 1 29 1  14 o 59.99654 3.500427  36.19495       2.968596  37.49103       5.937192  34.89887       5.937192  61.07667 4.860442  58.91641 5.038658  2.160259       7.000855  
1 1 1 29 1  15 o 158.1315 1.981692  250.6534       4.431452  253.6601       8.862904  247.6467       8.862904  159.0822 2.785636  157.1808 2.819334  1.901413       3.963384  
1 1 1 29 1  16 o 58.54758 4.735777  34.91317       3.907302  38.24390       7.814603  31.58243       7.814603  61.39204 6.364508  55.70311 7.014513  5.688938       9.471555  
1 1 1 29 1  17 o 38.72668 7.236839  15.72927       4.521987  4.917482       9.043974  26.54106       9.043974  27.68021 10.98215  49.77315 9.427608  -22.09294      14.47368  
1 1 1 29 1  18 o 67.47192 5.545802  48.25994       5.046137  64.42282       10.09227  32.09705       10.09227  79.44941 6.351384  55.49443 9.093051  23.95498       11.09160  
1 1 1 29 1  19 o 56.65449 7.113955  34.71780       5.570287  37.04313       11.14057  32.39248       11.14057  59.15741 9.416044  54.15157 10.66637  5.005844       14.22791  
1 1 1 29 1  20 o 50.67982 9.514693  30.58178       6.947372  28.47565       13.89474  32.68791       13.89474  48.81526 13.68502  52.54440 13.22262  -3.729137      19.02939  
1 1 1 29 1  21 o 58.20929 8.752147  40.36433       6.995024  44.58136       13.99005  36.14730       13.99005  61.80567 11.74204  54.61290 12.98171  7.192764       17.50429  
1 1 1 29 2  0  o 217.1835 2.686376  471.9925       11.66473  471.9925       11.66473  471.9925       11.66473  217.1835 2.686376  217.1835 2.686376  0.000000       0.000000  
1 1 1 29 2  1  o 69.33688 1.400863  48.11699       1.372321  50.55667       2.744641  45.67731       2.744641  71.09618 1.930231  67.57758 2.030733  3.518593       2.801726  
1 1 1 29 2  2  o 228.6750 1.470697  523.0972       4.755473  533.4039       9.510944  512.7905       9.510944  230.9285 2.059283  226.4214 2.100275  4.507141       2.941395  
1 1 1 29 2  3  o 101.2348 1.123122  102.5905       1.605806  108.6992       3.211612  96.48176       3.211612  104.2519 1.540314  98.21765 1.634946  6.034218       2.246245  
1 1 1 29 2  4  o 246.1418 1.752235  606.0940       6.099203  612.7316       12.19841  599.4563       12.19841  247.4902 2.464422  244.7935 2.491571  2.696701       3.504469  
1 1 1 29 2  5  o 359.1718 2.502897  1291.444       12.70826  1333.610       25.41652  1249.279       25.41652  365.0416 3.481319  353.3019 3.596997  11.73969       5.005794  
1 1 1 29 2  6  o 239.0533 2.070704  571.8621       6.999787  581.1205       13.99957  562.6038       13.99957  240.9897 2.904600  237.1168 2.952042  3.872940       4.141407  
1 1 1 29 2  7  o 122.2014 1.812825  151.0029       3.082956  181.8896       6.165912  120.1162       6.165912  134.8391 2.286397  109.5638 2.813846  25.27528       3.625650  
1 1 1 29 2  8  o 265.4396 2.085961  705.1631       7.828898  688.9526       15.65780  721.3737       15.65780  262.3861 2.983732  268.4931 2.915865  -6.107056      4.171921  
1 1 1 29 2  9  o 294.2782 2.239552  866.7395       9.320344  863.4755       18.64069  870.0035       18.64069  293.7236 3.173168  294.8328 3.161231  -1.109161      4.479104  
1 1 1 29 2  10 o 123.2907 2.128462  152.3800       3.702406  140.3103       7.404812  164.4497       7.404812  118.3959 3.127141  128.1855 2.888318  -9.789665      4.256923  
1 1 1 29 2  11 o 239.2195 2.253586  572.9152       7.624003  575.1738       15.24801  570.6566       15.24801  239.6916 3.180756  238.7474 3.193334  0.9441528      4.507171  
1 1 1 29 2  12 o 165.1763 1.597227  273.0155       3.730997  271.5956       7.461993  274.4355       7.461993  164.7465 2.264690  165.6061 2.252934  -0.8596649     3.194453  
1 1 1 29 2  13 o 54.67174 3.684444  30.09099       2.839941  32.80228       5.679882  27.37970       5.679882  57.15134 4.969159  52.19213 5.441320  4.959209       7.368888  
1 1 1 29 2  14 o 182.7341 1.711769  334.4221       4.421922  345.1767       8.843843  323.6675       8.843843  185.6768 2.381515  179.7915 2.459473  5.885376       3.423539  
1 1 1 29 2  15 o 132.7721 2.176240  176.9960       4.078841  164.7071       8.157682  189.2849       8.157682  128.1442 3.183008  137.3999 2.968592  -9.255661      4.352479  
1 1 1 29 2  16 o 78.26476 3.601426  61.95455       3.974012  67.48196       7.948023  56.42715       7.948023  81.79598 4.858444  74.73354 5.317574  7.062439       7.202851  
1 1 1 29 2  17 o 155.2445 2.378532  242.4147       5.217677  253.7935       10.43535  231.0359       10.43535  158.9093 3.283430  151.5797 3.442200  7.329605       4.757063  
1 1 1 29 2  18 o 95.61946 4.068267  93.61323       5.441632  109.2043       10.88326  78.02215       10.88326  103.7721 5.243828  87.46678 6.221370  16.30536       8.136534  
1 1 1 29 2  19 o 149.1427 3.310260  225.6800       6.980727  220.8006       13.96145  230.5594       13.96145  147.5069 4.732475  150.7785 4.629789  -3.271606      6.620519  
1 1 1 29 2  20 o 87.59117 5.703149  81.42912       6.975962  67.35807       13.95192  95.50018       13.95192  79.55894 8.768295  95.62340 7.295246  -16.06446      11.40630  
1 1 1 29 2  21 o 47.00887 14.23681  27.73231       14.53326  27.73231       14.53326  ?              ?         47.00887 14.23681  ?        ?         ?              ?         
1 1 1 29 3  0  o 176.3047 2.579621  311.0880       9.091624  311.0880       9.091624  311.0880       9.091624  176.3047 2.579621  176.3047 2.579621  0.000000       0.000000  
1 1 1 29 3  1  o 334.2923 2.032278  1118.132       9.606244  1094.826       19.21249  1141.437       19.21249  330.8065 2.903886  337.7781 2.843951  -6.971649      4.064556  
1 1 1 29 3  2  o 39.22514 2.360774  15.80551       1.257961  20.83259       2.515921  10.77843       2.515921  45.63313 2.756683  32.81717 3.833239  12.81596       4.721549  
1 1 1 29 3  3  o 390.1594 2.211703  1523.123       12.20317  1510.487       24.40634  1535.760       24.40634  388.5399 3.140776  391.7788 3.114811  -3.238892      4.423407  
1 1 1 29 3  4  o 284.4813 1.864256  809.6359       7.500113  804.5515       15.00023  814.7200       15.00023  283.5877 2.644724  285.3749 2.628161  -1.787231      3.728512  
1 1 1 29 3  5  o 252.3830 1.901920  637.7669       6.780598  673.0374       13.56120  602.4964       13.56120  259.3705 2.614252  245.3955 2.763131  13.97499       3.803841  
1 1 1 29 3  6  o 48.07424 3.175496  23.14838       2.158546  23.65347       4.317091  22.64329       4.317091  48.59956 4.441492  47.54892 4.539632  1.050644       6.350993  
1 1 1 29 3  7  o 304.7152 2.420771  930.2903       10.41629  871.6523       20.83259  988.9285       20.83259  295.0934 3.529830  314.3370 3.313735  -19.24356      4.841543  
1 1 1 29 3  8  o 314.4992 2.237833  991.4016       9.930264  1068.952       19.86053  913.8511       19.86053  326.8284 3.038372  302.1700 3.286317  24.65839       4.475666  
1 1 1 29 3  9  o 90.78079 2.582897  82.97298       3.287851  95.39535       6.575703  70.55062       6.575703  97.62275 3.367915  83.93884 3.916960  13.68391       5.165794  
1 1 1 29 3  10 o 131.4507 1.979751  172.9791       3.678581  179.1545       7.357163  166.8037       7.357163  133.7997 2.749320  129.1018 2.849366  4.697922       3.959501  
1 1 1 29 3  11 o 131.5265 2.438934  173.5986       4.521987  189.6280       9.043974  157.5691       9.043974  137.6201 3.285848  125.4328 3.605107  12.18726       4.877867  
1 1 1 29 3  12 o 166.2858 1.667769  276.7323       3.921597  281.2304       7.843193  272.2341       7.843193  167.6383 2.339320  164.9332 2.377688  2.705078       3.335539  
1 1 1 29 3  13 o 96.72092 2.357549  94.26126       3.197316  108.3752       6.394632  80.14733       6.394632  104.0171 3.073836  89.42471 3.575428  14.59242       4.715099  
1 1 1 29 3  14 o 53.83821 3.676057  29.65737       2.725581  37.35761       5.451162  21.95713       5.451162  60.98949 4.468936  46.68693 5.837996  14.30256       7.352115  
1 1 1 29 3  15 o 67.07047 3.624027  45.35328       3.435566  43.62836       6.871132  47.07822       6.871132  65.78455 5.222451  68.35638 5.025963  -2.571823      7.248055  
1 1 1 29 3  16 o 62.34657 4.238207  39.39226       3.735762  40.49299       7.471523  38.29155       7.471523  63.22931 5.908275  61.46383 6.077983  1.765480       8.476414  
1 1 1 29 3  17 o 86.23123 3.969897  75.47286       4.841242  75.73495       9.682484  75.21079       9.682484  86.38319 5.604380  86.07927 5.624167  0.3039169      7.939794  
1 1 1 29 3  18 o 93.09244 4.008362  88.31931       5.255797  79.31822       10.51159  97.32040       10.51159  88.25794 5.955042  97.92693 5.367060  -9.668983      8.016724  
1 1 1 29 3  19 f 51.55513 8.435637  30.12434       6.046787  34.12695       12.09357  26.12174       12.09357  55.29732 11.32538  47.81294 12.50502  7.484379       16.87127  
1 1 1 29 3  20 o 75.28300 6.913450  61.94503       7.190388  47.81203       14.38078  76.07802       14.38078  65.89642 10.91165  84.66958 8.492292  -18.77316      13.82690  
1 1 1 29 3  21 o 62.40807 8.907399  49.00328       8.310163  81.82461       16.62033  16.18195       16.62033  86.33728 9.625232  38.47886 14.99073  47.85842       17.81480  
1 1 1 29 4  0  o 101.3643 2.617549  102.9717       5.298682  102.9717       5.298682  102.9717       5.298682  101.3643 2.617549  101.3643 2.617549  0.000000       0.000000  
1 1 1 29 4  1  o 434.9520 2.451952  1893.169       15.08123  1866.833       30.16246  1919.505       30.16246  431.9246 3.491635  437.9795 3.443364  -6.054962      4.903904  
1 1 1 29 4  2  o 276.8708 1.601352  767.1368       6.265977  799.4910       12.53195  734.7823       12.53195  282.7137 2.216368  271.0280 2.311930  11.68570       3.202703  
1 1 1 29 4  3  f 380.9685 2.145612  1452.144       11.55990  1456.480       23.11979  1447.808       23.11979  381.5376 3.029818  380.3994 3.038883  1.138184       4.291225  
1 1 1 29 4  4  o 231.9151 1.643261  538.6739       5.379687  501.1353       10.75937  576.2126       10.75937  223.8219 2.403557  240.0083 2.241459  -16.18639      3.286522  
1 1 1 29 4  5  o 282.2138 1.928498  797.2755       7.690712  760.5706       15.38142  833.9802       15.38142  275.7108 2.789413  288.7168 2.663756  -13.00601      3.856997  
1 1 1 29 4  6  o 179.1566 1.706809  323.1291       4.283737  272.1674       8.567473  374.0908       8.567473  164.9340 2.597244  193.3793 2.215199  -28.44533      3.413617  
1 1 1 29 4  7  o 190.0598 1.661219  361.4016       4.464807  356.5365       8.929614  366.2666       8.929614  188.7799 2.365086  191.3397 2.333446  -2.559753      3.322439  
1 1 1 29 4  8  f 189.9821 1.905126  362.3069       5.093787  321.2278       10.18757  403.3860       10.18757  179.1708 2.842978  200.7934 2.536830  -21.62259      3.810253  
1 1 1 29 4  9  o 379.5262 2.679556  1442.623       14.37601  1490.674       28.75202  1394.573       28.75202  385.8565 3.725740  373.1959 3.852136  12.66058       5.359113  
1 1 1 29 4  10 o 82.85561 2.881230  68.79234       3.373621  71.82764       6.747242  65.75703       6.747242  84.68729 3.983622  81.02392 4.163735  3.663368       5.762459  
1 1 1 29 4  11 o 250.5105 1.928003  628.2417       6.828248  609.8821       13.65650  646.6012       13.65650  246.8460 2.766197  254.1749 2.686437  -7.328873      3.856007  
1 1 1 29 4  12 o 84.31015 1.920601  71.40833       2.277671  79.92815       4.555342  62.88850       4.555342  89.36282 2.548790  79.25748 2.873761  10.10534       3.841202  
1 1 1 29 4  13 o 85.22567 2.687025  73.36674       3.202081  85.98922       6.404162  60.74424       6.404162  92.63100 3.456814  77.82034 4.114710  14.81067       5.374049  
1 1 1 29 4  14 o 141.6914 2.126707  201.3642       4.255147  214.0629       8.510294  188.6655       8.510294  146.1725 2.911044  137.2103 3.101186  8.962234       4.253414  
1 1 1 29 4  15 o 48.54698 5.309328  24.42540       3.526102  28.04680       7.052203  20.80400       7.052203  52.60739 6.702673  44.48658 8.235899  8.120815       10.61866  
1 1 1 29 4  16 o 197.7774 2.148572  392.5408       6.008667  384.8215       12.01733  400.2601       12.01733  195.8259 3.068372  199.7289 3.008411  -3.903030      4.297144  
1 1 1 29 4  17 o 55.42471 5.566019  31.69679       4.350447  29.02839       8.700893  34.36520       8.700893  53.01748 8.205684  57.83194 7.522567  -4.814461      11.13204  
1 1 1 29 4  18 o 96.51138 4.270565  95.40012       5.779948  109.3473       11.55990  81.45294       11.55990  103.7370 5.571730  89.28573 6.473541  14.45130       8.541130  
1 1 1 29 4  19 o 76.74800 5.602509  61.37323       6.075377  58.48564       12.15075  64.26081       12.15075  74.86679 8.114916  78.62922 7.726616  -3.762428      11.20502  
1 1 1 29 4  20 o 53.89684 8.059348  34.23654       6.404162  13.98051       12.80832  54.49256       12.80832  36.42622 13.38987  71.36746 8.973505  -34.94125      16.11870  
1 1 1 29 4  21 o 40.14125 15.03924  18.94565       16.29631  18.94565       16.29631  ?              ?         40.14125 15.03924  ?        ?         ?              ?         
1 1 1 29 5  0  o 232.8616 3.027596  542.6575       14.09487  542.6575       14.09487  542.6575       14.09487  232.8616 3.027596  232.8616 3.027596  0.000000       0.000000  
1 1 1 29 5  1  o 173.0173 1.478667  300.2904       3.602341  268.0504       7.204682  332.5305       7.204682  163.7003 2.200571  182.3343 1.975679  -18.63399      2.957333  
1 1 1 29 5  2  o 142.2661 1.383223  202.4506       2.782761  199.5869       5.565523  205.3144       5.565523  141.2596 1.969962  143.2726 1.942285  -2.012970      2.766446  
1 1 1 29 5  3  o 202.8746 1.385258  412.0298       3.969247  436.2740       7.938493  387.7854       7.938493  208.8498 1.900527  196.8994 2.015875  11.95039       2.770515  
1 1 1 29 5  4  o 40.84648 2.429368  16.71563       1.400911  17.84970       2.801821  15.58156       2.801821  42.23469 3.316967  39.45827 3.550360  2.776421       4.858737  
1 1 1 29 5  5  o 265.6668 1.907636  706.1923       7.166563  716.8278       14.33313  695.5569       14.33313  267.6685 2.677402  263.6652 2.718055  4.003326       3.815273  
1 1 1 29 5  6  o 173.0104 1.710330  299.7329       4.178907  281.4973       8.357814  317.9686       8.357814  167.7403 2.491295  178.2805 2.344006  -10.54019      3.420660  
1 1 1 29 5  7  o 218.9347 1.890818  480.7982       5.832363  528.8104       11.66473  432.7861       11.66473  229.8996 2.536917  207.9697 2.804429  21.92990       3.781636  
1 1 1 29 5  8  o 328.7753 2.330544  1081.894       10.83561  1093.263       21.67123  1070.524       21.67123  330.5043 3.278509  327.0463 3.313175  3.458069       4.661089  
1 1 1 29 5  9  o 275.4413 2.081228  759.6843       8.100503  794.9453       16.20101  724.4233       16.20101  281.8422 2.874128  269.0405 3.010886  12.80164       4.162457  
1 1 1 29 5  10 o 158.1546 1.743827  250.7868       3.888242  273.5302       7.776483  228.0435       7.776483  165.3448 2.351596  150.9644 2.575602  14.38046       3.487654  
1 1 1 29 5  11 o 86.46966 2.588735  75.14407       3.149666  66.45271       6.299332  83.83545       6.299332  81.44398 3.867280  91.49533 3.442434  -10.05135      5.177471  
1 1 1 29 5  12 o 96.35617 1.794172  92.94137       2.444446  94.97602       4.888892  90.90670       4.888892  97.41196 2.509390  95.30037 2.564991  2.111595       3.588345  
1 1 1 29 5  13 o 93.26617 2.111125  87.16618       2.782761  83.57813       5.565523  90.75423       5.565523  91.34262 3.046509  95.18973 2.923384  -3.847107      4.222250  
1 1 1 29 5  14 o 183.7268 1.917523  338.6772       4.969897  311.1832       9.939795  366.1714       9.939795  176.2445 2.819888  191.2091 2.599195  -14.96465      3.835046  
1 1 1 29 5  15 o 114.5586 2.373383  131.7857       3.840591  124.4237       7.681183  139.1476       7.681183  111.3455 3.449258  117.7718 3.261045  -6.426346      4.746767  
1 1 1 29 5  16 o 130.4822 2.507389  171.0636       4.626817  170.0629       9.253633  172.0642       9.253633  130.0988 3.556388  130.8656 3.535547  -0.7668762     5.014778  
1 1 1 29 5  17 o 194.5384 2.424399  380.7999       6.666237  366.1618       13.33247  395.4380       13.33247  190.7761 3.494272  198.3007 3.361682  -7.524521      4.848798  
1 1 1 29 5  18 o 70.19135 5.254794  50.70914       5.212912  52.72951       10.42582  48.68879       10.42582  71.63053 7.277501  68.75217 7.582179  2.878365       10.50959  
1 1 1 29 5  19 o 75.23026 5.488268  59.67689       5.694177  74.30544       11.38835  45.04833       11.38835  84.95277 6.702756  65.50773 8.692375  19.44505       10.97654  
1 1 1 29 5  20 o 161.9420 3.266779  267.3356       7.476287  278.7431       14.95257  255.9283       14.95257  165.4640 4.518377  158.4199 4.719286  7.044159       6.533559  
1 1 1 29 5  21 o 38.96392 15.12816  17.12542       16.89670  17.12542       16.89670  ?              ?         38.96392 15.12816  ?        ?         ?              ?         
1 1 1 29 6  0  o 177.4427 2.982650  315.2049       10.57831  315.2049       10.57831  315.2049       10.57831  177.4427 2.982650  177.4427 2.982650  0.000000       0.000000  
1 1 1 29 6  1  o 258.0445 1.587325  666.6667       5.784712  626.4644       11.56942  706.8690       11.56942  250.2547 2.311530  265.8343 2.176059  -15.57962      3.174651  
1 1 1 29 6  2  o 282.5201 1.725886  798.5048       6.894957  811.7372       13.78991  785.2724       13.78991  284.8619 2.420456  280.1782 2.460918  4.683716       3.451771  
1 1 1 29 6  3  o 311.0694 1.910859  968.1150       8.405463  983.1629       16.81093  953.0671       16.81093  313.4881 2.681270  308.6507 2.723293  4.837463       3.821719  
1 1 1 29 6  4  o 338.4894 1.956737  1146.602       9.363228  1109.931       18.72646  1183.274       18.72646  333.0725 2.811168  343.9064 2.722610  -10.83383      3.913473  
1 1 1 29 6  5  o 30.65967 4.703368  9.734899       2.034656  12.67490       4.069312  6.794893       4.069312  35.55962 5.721816  25.75972 7.466425  9.799894       9.406735  
1 1 1 29 6  6  o 250.4971 1.729172  627.9510       6.123027  649.3650       12.24605  606.5371       12.24605  254.7714 2.403342  246.2229 2.486783  8.548553       3.458344  
1 1 1 29 6  7  o 41.37894 3.428418  17.18260       2.001301  15.79122       4.002602  18.57398       4.002602  39.69767 5.041356  43.06020 4.647681  -3.362530      6.856836  
1 1 1 29 6  8  o 81.94409 1.879904  67.20559       2.177606  69.49279       4.355212  64.91839       4.355212  83.33968 2.612928  80.54851 2.703472  2.791168       3.759808  
1 1 1 29 6  9  o 68.46414 2.229662  47.19735       2.139486  39.94025       4.278972  54.45444       4.278972  63.16422 3.387181  73.76407 2.900445  -10.59985      4.459324  
1 1 1 29 6  10 o 313.9222 2.216501  986.3983       9.839729  997.8390       19.67946  974.9576       19.67946  315.7445 3.116358  312.1000 3.152749  3.644470       4.433003  
1 1 1 29 6  11 o 191.9418 1.894305  368.7778       5.141437  375.2343       10.28287  362.3212       10.28287  193.6237 2.655376  190.2599 2.702323  3.363846       3.788611  
1 1 1 29 6  12 o 146.1349 1.667194  213.7485       3.445096  209.8698       6.890193  217.6272       6.890193  144.8078 2.379082  147.4620 2.336260  -2.654205      3.334388  
1 1 1 29 6  13 o 56.68513 3.258145  32.26859       2.611221  31.42995       5.222442  33.10723       5.222442  55.94540 4.667446  57.42487 4.547195  -1.479473      6.516290  
1 1 1 29 6  14 o 126.1964 2.341606  159.6752       4.178907  161.0952       8.357814  158.2552       8.357814  126.7590 3.296735  125.6338 3.326261  1.125206       4.683212  
1 1 1 29 6  15 o 164.9765 1.960715  272.8297       4.574402  270.0327       9.148804  275.6268       9.148804  164.1287 2.787082  165.8242 2.758586  -1.695435      3.921431  
1 1 1 29 6  16 o 96.29706 3.340106  93.67993       4.536282  85.76051       9.072563  101.5994       9.072563  92.18508 4.920842  100.4090 4.517803  -8.223953      6.680212  
1 1 1 29 6  17 o 55.91764 5.906474  32.36866       4.669702  31.58243       9.339403  33.15488       9.339403  55.21462 8.457365  56.62066 8.247346  -1.406040      11.81295  
1 1 1 29 6  18 o 43.49832 7.925604  20.83735       5.222442  11.13105       10.44488  30.54366       10.44488  33.93189 12.12859  53.06475 10.20579  -19.13287      15.85121  
1 1 1 29 6  19 o 56.68382 6.935897  38.43927       5.346332  9.787313       10.69266  67.09122       10.69266  32.61811 12.18977  80.74953 6.620883  -48.13142      13.87179  
1 1 1 29 6  20 o 83.21989 6.364521  75.46811       7.252333  55.17872       14.50467  95.75748       14.50467  71.02967 10.21029  95.41011 7.601220  -24.38044      12.72904  
1 1 1 29 6  21 o 35.96756 14.79156  12.10310       17.10636  12.10310       17.10636  ?              ?         35.96756 14.79156  ?        ?         ?              ?         
1 1 1 29 7  0  o 437.7578 4.775445  1918.256       41.79860  1918.256       41.79860  1918.256       41.79860  437.7578 4.775445  437.7578 4.775445  0.000000       0.000000  
1 1 1 29 7  1  o 437.8326 2.462734  1918.395       15.24801  1893.450       30.49601  1943.339       30.49601  434.9839 3.505419  440.6813 3.460098  -5.697327      4.925468  
1 1 1 29 7  2  o 368.9404 2.100935  1362.457       10.95474  1305.839       21.90948  1419.075       21.90948  361.2673 3.032308  376.6134 2.908750  -15.34604      4.201870  
1 1 1 29 7  3  o 480.3964 2.673182  2309.935       18.15942  2346.649       36.31884  2273.220       36.31884  484.2176 3.750261  476.5751 3.810401  7.642548       5.346364  
1 1 1 29 7  4  o 93.91934 1.608288  88.40984       2.129956  80.64289       4.259912  96.17680       4.259912  89.78443 2.372300  98.05424 2.172222  -8.269814      3.216575  
1 1 1 29 7  5  o 64.87664 2.201566  42.17980       2.015596  38.99678       4.031191  45.36282       4.031191  62.42351 3.228905  67.32977 2.993617  -4.906265      4.403132  
1 1 1 29 7  6  o 55.15797 2.684881  30.48171       2.091836  32.20188       4.183672  28.76155       4.183672  56.71728 3.688181  53.59866 3.902776  3.118618       5.369762  
1 1 1 29 7  7  o 55.77959 2.676206  31.29177       2.096601  27.07474       4.193202  35.50880       4.193202  51.99951 4.031963  59.55967 3.520169  -7.560158      5.352412  
1 1 1 29 7  8  o 379.5667 2.388141  1442.137       12.81786  1466.772       25.63571  1417.502       25.63571  382.8118 3.348344  376.3215 3.406092  6.490326       4.776282  
1 1 1 29 7  9  o 211.7938 1.698029  450.0401       5.065197  496.8849       10.13039  403.1954       10.13039  222.8529 2.272888  200.7348 2.523329  22.11812       3.396058  
1 1 1 29 7  10 o 134.9423 1.806474  183.9720       3.397446  148.0677       6.794893  219.8762       6.794893  121.6387 2.793064  148.2458 2.291765  -26.60715      3.612948  
1 1 1 29 7  11 o 442.4065 2.868900  1963.381       17.92117  1836.413       35.84235  2090.349       35.84235  428.0567 4.186635  456.7562 3.923575  -28.69946      5.737801  
1 1 1 29 7  12 o 233.3735 1.728307  545.1591       5.703707  537.7590       11.40741  552.5591       11.40741  231.7880 2.460743  234.9590 2.427533  -3.170914      3.456613  
1 1 1 29 7  13 o 72.04919 2.750800  52.31496       2.782761  59.50534       5.565523  45.12457       5.565523  77.03911 3.612141  67.05927 4.149704  9.979836       5.501600  
1 1 1 29 7  14 o 66.60087 3.637750  44.65760       3.426036  45.31517       6.852073  44.00003       6.852073  67.09454 5.106283  66.10720 5.182547  0.9873352      7.275501  
1 1 1 29 7  15 o 67.25905 3.859928  46.07757       3.621402  54.73081       7.242803  37.42433       7.242803  73.69183 4.914251  60.82628 5.953680  12.86555       7.719855  
1 1 1 29 7  16 o 107.5302 2.891916  118.8439       4.255147  153.0614       8.510294  84.62644       8.510294  123.4409 3.447114  91.61960 4.644363  31.82126       5.783832  
1 1 1 29 7  17 o 94.18970 3.437710  89.76788       4.579167  89.53439       9.158334  90.00137       9.158334  94.06576 4.868049  94.31365 4.855254  -0.2478943     6.875419  
1 1 1 29 7  18 o 61.35418 5.840741  39.03966       5.060432  41.39833       10.12086  36.68098       10.12086  63.27636 7.997350  59.43200 8.514659  3.844360       11.68148  
1 1 1 29 7  19 o 30.69468 8.976161  5.050902       6.342218  5.117612       12.68444  4.984192       12.68444  30.73589 12.70169  30.65348 12.68672  0.8241653E-01  17.95232  
1 1 1 29 7  20 o 52.60622 9.710766  33.60756       7.404812  40.35957       14.80962  26.85555       14.80962  58.35543 13.02310  46.85700 14.40815  11.49844       19.42153  
1 1 1 29 7  21 o 80.57878 8.088166  77.04055       8.491233  102.0282       16.98247  52.05288       16.98247  96.58187 8.791746  64.57569 13.57862  32.00618       16.17633  
1 1 1 29 8  0  o 124.6811 2.877363  155.7393       7.166563  155.7393       7.166563  155.7393       7.166563  124.6811 2.877363  124.6811 2.877363  0.000000       0.000000  
1 1 1 29 8  1  o 316.9120 1.917265  1004.882       8.591299  1026.744       17.18260  983.0199       17.18260  320.3613 2.681753  313.4629 2.740771  6.898407       3.834531  
1 1 1 29 8  2  o 222.5658 1.434637  496.4036       4.502927  453.5233       9.005854  539.2838       9.005854  212.9327 2.114719  232.1990 1.939253  -19.26633      2.869275  
1 1 1 29 8  3  o 145.5338 1.380268  211.8948       2.839941  217.9416       5.679882  205.8481       5.679882  147.6112 1.923933  143.4563 1.979655  4.154892       2.760535  
1 1 1 29 8  4  o 168.3873 1.359089  283.9560       3.230671  303.5688       6.461343  264.3432       6.461343  174.2110 1.854459  162.5636 1.987328  11.64740       2.718178  
1 1 1 29 8  5  o 204.5726 1.459681  418.7103       4.221792  407.1790       8.443583  430.2415       8.443583  201.7542 2.092542  207.3910 2.035668  -5.636780      2.919362  
1 1 1 29 8  6  o 104.3986 1.768818  110.9245       2.544511  82.27251       5.089022  139.5764       5.089022  90.67624 2.806150  118.1210 2.154156  -27.44478      3.537636  
1 1 1 29 8  7  o 226.8130 1.713462  516.0021       5.474988  463.8539       10.94998  568.1503       10.94998  215.3172 2.542755  238.3089 2.297433  -22.99173      3.426923  
1 1 1 29 8  8  o 232.6049 1.838383  541.3900       6.046787  532.3746       12.09357  550.4053       12.09357  230.6670 2.621436  234.5428 2.578116  -3.875839      3.676766  
1 1 1 29 8  9  o 346.8609 2.200159  1205.341       10.77843  1276.430       21.55687  1134.252       21.55687  357.1084 3.018253  336.6134 3.202022  20.49496       4.400318  
1 1 1 29 8  10 o 114.0092 1.800462  130.2370       2.897121  139.7480       5.794242  120.7261       5.794242  118.1803 2.451442  109.8380 2.637630  8.342270       3.600925  
1 1 1 29 8  11 o 124.5012 1.865650  156.7018       3.235436  187.8459       6.470873  125.5578       6.470873  137.0087 2.361482  111.9937 2.888945  25.01505       3.731300  
1 1 1 29 8  12 o 122.4753 1.871026  150.3310       3.235436  140.4246       6.470873  160.2375       6.470873  118.4311 2.731915  126.5196 2.557261  -8.088524      3.742051  
1 1 1 29 8  13 o 220.3318 1.777057  486.1159       5.536932  492.0532       11.07386  480.1788       11.07386  221.6792 2.497723  218.9845 2.528458  2.694672       3.554114  
1 1 1 29 8  14 o 49.19929 5.012075  25.83108       3.202081  35.58503       6.404162  16.07712       6.404162  59.41801 5.389075  38.98056 8.452305  20.43746       10.02415  
1 1 1 29 8  15 o 194.2699 2.292634  379.3037       6.285037  408.0843       12.57007  350.5231       12.57007  201.6773 3.116383  186.8625 3.363455  14.81474       4.585267  
1 1 1 29 8  16 o 144.3393 2.584396  209.4028       5.274857  205.8290       10.54971  212.9765       10.54971  143.1013 3.686100  145.5772 3.623408  -2.475922      5.168792  
1 1 1 29 8  17 o 29.63888 7.927162  6.794893       4.664937  3.202081       9.329873  10.38770       9.329873  26.60985 10.93023  32.66790 11.48432  -6.058054      15.85432  
1 1 1 29 8  18 o 125.9396 3.356537  160.6663       5.970548  151.4127       11.94110  169.9200       11.94110  122.2657 4.883255  129.6134 4.606428  -7.347679      6.713074  
1 1 1 29 8  19 o 31.49998 9.107841  5.984842       6.485168  3.001951       12.97034  8.967733       12.97034  29.63593 12.57513  33.36403 13.17866  -3.728106      18.21568  
1 1 1 29 8  20 o 68.74544 8.651522  56.10313       7.914669  33.31689       15.82934  78.88937       15.82934  51.91139 14.62408  85.57948 9.248325  -33.66809      17.30304  
1 1 1 29 8  21 o 38.00423 14.68330  17.56380       15.87699  17.56380       15.87699  ?              ?         38.00423 14.68330  ?        ?         ?              ?         
1 1 1 29 9  0  o 212.4014 2.879461  451.5031       12.22700  451.5031       12.22700  451.5031       12.22700  212.4014 2.879461  212.4014 2.879461  0.000000       0.000000  
1 1 1 29 9  1  o 222.4934 1.532565  497.1374       4.793592  559.5446       9.587184  434.7302       9.587184  236.5179 2.026735  208.4689 2.299428  28.04903       3.065130  
1 1 1 29 9  2  o 350.5999 2.016262  1229.833       9.996975  1222.976       19.99395  1236.689       19.99395  349.6220 2.859366  351.5778 2.843460  -1.955750      4.032523  
1 1 1 29 9  3  o 129.1891 1.249527  166.9561       2.282436  170.8348       4.564872  163.0774       4.564872  130.6903 1.746446  127.6880 1.787511  3.002365       2.499053  
1 1 1 29 9  4  o 421.1741 2.451580  1776.783       14.58567  1678.863       29.17134  1874.704       29.17134  409.5494 3.561395  432.7989 3.370081  -23.24951      4.903160  
1 1 1 29 9  5  o 254.6186 1.786650  649.6222       6.418458  598.4747       12.83692  700.7698       12.83692  244.5747 2.624335  264.6626 2.425147  -20.08791      3.573300  
1 1 1 29 9  6  o 193.2942 1.419589  373.8668       3.878712  387.2517       7.757423  360.4819       7.757423  196.7565 1.971325  189.8319 2.043235  6.924622       2.839178  
1 1 1 29 9  7  o 202.8524 1.493686  411.7200       4.283737  423.4276       8.567473  400.0124       8.567473  205.7382 2.082130  199.9667 2.142226  5.771515       2.987373  
1 1 1 29 9  8  o 421.7307 2.637673  1780.867       15.72927  1815.704       31.45854  1746.030       31.45854  425.8609 3.693524  417.6004 3.766584  8.260468       5.275346  
1 1 1 29 9  9  o 80.90797 2.323199  65.83326       2.639811  74.74382       5.279623  56.92271       5.279623  86.41457 3.054822  75.40138 3.501012  11.01319       4.646399  
1 1 1 29 9  10 o 89.78666 2.366173  80.75725       3.001951  84.59785       6.003902  76.91666       6.003902  91.92539 3.265639  87.64793 3.425011  4.277466       4.732347  
1 1 1 29 9  11 o 117.1323 1.822946  137.8515       3.001951  155.0532       6.003902  120.6498       6.003902  124.4751 2.411688  109.7895 2.734280  14.68568       3.645891  
1 1 1 29 9  12 o 180.7233 1.710269  327.9465       4.350447  291.2274       8.700893  364.6656       8.700893  170.5643 2.550619  190.8822 2.279126  -20.31787      3.420537  
1 1 1 29 9  13 f 118.7003 1.956356  141.1537       3.283086  145.1705       6.566173  137.1367       6.566173  120.3923 2.726990  117.0082 2.805859  3.384079       3.912713  
1 1 1 29 9  14 o 104.9059 2.367154  110.4146       3.511806  111.3200       7.023612  109.5093       7.023612  105.3374 3.333864  104.4744 3.361403  0.8630066      4.734309  
1 1 1 29 9  15 o 47.37842 6.348742  24.31104       4.088372  14.39031       8.176744  34.23178       8.176744  36.75164 10.56162  58.00520 7.048285  -21.25357      12.69748  
1 1 1 29 9  16 o 56.53371 5.643394  32.75463       4.507692  31.15358       9.015384  34.35566       9.015384  55.11771 8.178300  57.94972 7.778625  -2.832008      11.28679  
1 1 1 29 9  17 o 83.18874 4.425954  70.71262       5.184323  63.25064       10.36865  78.17462       10.36865  78.70377 6.587133  87.67372 5.913200  -8.969955      8.851908  
1 1 1 29 9  18 o 40.35294 7.059261  12.69873       5.765652  -11.32164      11.53130  36.71910       11.53130  21.66065 10.19712  59.04524 9.764805  -37.38459      14.11852  
1 1 1 29 9  19 o 88.06545 5.329611  80.85732       6.637648  81.11939       13.27530  80.59525       13.27530  88.21425 7.524463  87.91666 7.549932  0.2975922      10.65922  
1 1 1 29 9  20 o 31.12551 13.44865  3.345031       15.32425  3.345031       15.32425  ?              ?         31.12551 13.44865  ?        ?         ?              ?         
1 1 1 29 9  21 o 50.46700 14.45616  35.10853       15.34331  35.10853       15.34331  ?              ?         50.46700 14.45616  ?        ?         ?              ?         
1 1 1 29 10 0  o 37.68950 5.973264  15.01929       4.231322  15.01929       4.231322  15.01929       4.231322  37.68950 5.973264  37.68950 5.973264  0.000000       0.000000  
1 1 1 29 10 1  o 334.4182 1.971090  1120.566       9.301284  1206.794       18.60257  1034.339       18.60257  347.3103 2.678090  321.5260 2.892856  25.78433       3.942180  
1 1 1 29 10 2  o 79.83223 1.654433  64.18933       1.848821  74.71523       3.697641  53.66345       3.697641  86.42474 2.139226  73.23972 2.524342  13.18502       3.308866  
1 1 1 29 10 3  o 221.5229 1.637330  491.6673       5.117613  453.1708       10.23522  530.1636       10.23522  212.8338 2.404511  230.2119 2.223001  -17.37808      3.274661  
1 1 1 29 10 4  f 202.3841 1.530911  409.8997       4.379037  393.4462       8.758074  426.3533       8.758074  198.3192 2.208076  206.4490 2.121122  -8.129868      3.061823  
1 1 1 29 10 5  o 230.8356 1.638550  533.2513       5.346332  513.6005       10.69266  552.9023       10.69266  226.5791 2.359587  235.0921 2.274144  -8.512939      3.277100  
1 1 1 29 10 6  o 279.7915 1.830456  783.2567       7.242803  780.3643       14.48561  786.1490       14.48561  279.2747 2.593434  280.3084 2.583869  -1.033722      3.660913  
1 1 1 29 10 7  o 172.2383 1.486964  298.3606       3.592812  254.8228       7.185624  341.8984       7.185624  159.5995 2.251142  184.8772 1.943351  -25.27765      2.973929  
1 1 1 29 10 8  o 183.3265 1.577304  338.3866       4.050251  284.6136       8.100503  392.1596       8.100503  168.6606 2.401422  197.9924 2.045660  -29.33186      3.154608  
1 1 1 29 10 9  f 222.2008 1.603730  494.1640       5.036607  474.6800       10.07321  513.6481       10.07321  217.8164 2.312317  226.5851 2.222832  -8.768677      3.207459  
1 1 1 29 10 10 o 216.1999 1.677586  467.8565       5.127142  483.3999       10.25428  452.3130       10.25428  219.7946 2.332697  212.6053 2.411578  7.189346       3.355173  
1 1 1 29 10 11 o 177.5576 1.603882  315.7767       4.021661  296.3069       8.043323  335.2465       8.043323  172.0750 2.337157  183.0403 2.197145  -10.96535      3.207764  
1 1 1 29 10 12 o 171.3639 1.855997  294.1912       4.493397  309.4011       8.986794  278.9813       8.986794  175.8018 2.555945  166.9260 2.691849  8.875793       3.711995  
1 1 1 29 10 13 o 160.3747 1.914253  257.6246       4.340917  262.9042       8.681833  252.3450       8.681833  162.0207 2.679236  158.7286 2.734804  3.292084       3.828506  
1 1 1 29 10 14 o 83.80659 2.903559  70.60781       3.440331  68.67320       6.880662  72.54240       6.880662  82.65239 4.162410  84.96079 4.049316  -2.308403      5.807118  
1 1 1 29 10 15 o 93.52901 3.102147  88.20972       4.093137  81.12892       8.186274  95.29050       8.186274  89.74366 4.560921  97.31435 4.206098  -7.570694      6.204293  
1 1 1 29 10 16 o 96.43451 3.362036  95.10945       4.488632  117.2286       8.977263  72.99030       8.977263  107.9030 4.159877  84.96603 5.282855  22.93696       6.724071  
1 1 1 29 10 17 o 146.3774 2.631355  215.7259       5.446397  219.8095       10.89279  211.6423       10.89279  147.7723 3.685668  144.9825 3.756588  2.789764       5.262709  
1 1 1 29 10 18 o 41.52325 8.236745  18.11177       5.756122  31.63008       11.51224  4.593462       11.51224  53.47503 11.13184  29.57148 12.14322  23.90355       16.47349  
1 1 1 29 10 19 o 44.40933 9.113462  22.74812       6.380337  31.62055       12.76067  13.87568       12.76067  52.24420 12.38518  36.57446 13.37266  15.66973       18.22692  
1 1 1 29 10 20 o 48.31846 9.873712  28.80444       7.137973  26.76978       14.27595  30.83909       14.27595  46.56029 14.11206  50.07664 13.81341  -3.516350      19.74742  
1 1 1 29 11 0  o 251.9698 3.191434  635.4130       16.07712  635.4130       16.07712  635.4130       16.07712  251.9698 3.191434  251.9698 3.191434  0.000000       0.000000  
1 1 1 29 11 1  o 178.1451 1.447283  318.0591       3.635697  345.9105       7.271393  290.2077       7.271393  185.9621 1.955074  170.3280 2.134526  15.63412       2.894567  
1 1 1 29 11 2  o 247.0305 1.606718  611.1544       5.603642  570.1706       11.20728  652.1382       11.20728  238.7352 2.347221  255.3258 2.194703  -16.59058      3.213435  
1 1 1 29 11 3  o 66.66901 2.041882  44.47653       1.925061  43.92379       3.850122  45.02927       3.850122  66.25446 2.905556  67.08355 2.869647  -0.8290863     4.083765  
1 1 1 29 11 4  o 230.4803 1.556056  531.8743       5.065197  500.2395       10.13039  563.5091       10.13039  223.6175 2.265116  237.3431 2.134124  -13.72560      3.112112  
1 1 1 29 11 5  o 143.3605 1.548311  205.7623       3.135371  194.2215       6.270743  217.3031       6.270743  139.3353 2.250234  147.3856 2.127326  -8.050232      3.096622  
1 1 1 29 11 6  o 373.7649 2.201503  1398.133       11.63613  1415.063       23.27227  1381.203       23.27227  376.0297 3.094473  371.5001 3.132203  4.529602       4.403005  
1 1 1 29 11 7  o 178.1030 1.543854  317.3491       3.888242  322.2761       7.776483  312.4221       7.776483  179.4862 2.166318  176.7198 2.200229  2.766373       3.087708  
1 1 1 29 11 8  o 118.7088 1.647400  141.5444       2.749406  159.1987       5.498813  123.8901       5.498813  126.1448 2.179564  111.2728 2.470870  14.87196       3.294799  
1 1 1 29 11 9  o 167.4011 1.525841  282.1024       3.578516  326.4312       7.157033  237.7736       7.157033  180.6414 1.981006  154.1608 2.321289  26.48061       3.051683  
1 1 1 29 11 10 o 189.4542 1.704051  359.2287       4.564872  366.8384       9.129744  351.6190       9.129744  191.4625 2.384212  187.4459 2.435301  4.016647       3.408102  
1 1 1 29 11 11 o 105.6407 1.834166  111.9728       2.730346  122.9180       5.460692  101.0276       5.460692  110.8211 2.463742  100.4603 2.717836  10.36081       3.668331  
1 1 1 29 11 12 o 378.2569 2.304430  1433.503       12.32706  1442.099       24.65412  1424.907       24.65412  379.3932 3.249152  377.1206 3.268731  2.272552       4.608860  
1 1 1 29 11 13 o 19.71892 5.960592  -0.7862253     3.040071  2.153781       6.080142  -3.726231      6.080142  21.99996 8.898242  17.43788 7.933215  4.562073       11.92118  
1 1 1 29 11 14 o 100.7799 2.619122  102.1045       3.726231  109.1090       7.452463  95.09991       7.452463  104.2551 3.574149  97.30473 3.829445  6.950356       5.238243  
1 1 1 29 11 15 o 70.25317 4.243349  50.26601       4.178907  42.70395       8.357814  57.82806       8.357814  64.87117 6.441855  75.63518 5.525084  -10.76401      8.486698  
1 1 1 29 11 16 o 132.3597 2.895005  176.4623       5.417807  180.7270       10.83561  172.1976       10.83561  133.9707 4.044024  130.7487 4.143680  3.222046       5.790009  
1 1 1 29 11 17 o 58.84231 5.969410  35.85188       4.965132  37.08125       9.930264  34.62250       9.930264  59.88694 8.290843  57.79768 8.590539  2.089264       11.93882  
1 1 1 29 11 18 o 71.08813 5.589042  53.32514       5.465457  39.61623       10.93091  67.03404       10.93091  61.44594 8.894741  80.73032 6.770018  -19.28439      11.17808  
1 1 1 29 11 19 o 57.00533 7.707692  36.52851       6.022963  27.34158       12.04593  45.71543       12.04593  48.54553 12.36888  65.46512 9.200263  -16.91959      15.41538  
1 1 1 29 11 20 o 59.58502 8.979121  42.47046       7.333338  40.49299       14.66668  44.44794       14.66668  57.93269 12.98205  61.23735 12.40826  -3.304657      17.95824  
1 1 1 29 12 0  o 348.8976 4.332230  1218.687       30.21964  1218.687       30.21964  1218.687       30.21964  348.8976 4.332230  348.8976 4.332230  0.000000       0.000000  
1 1 1 29 12 1  o 420.0164 2.378448  1767.144       14.10917  1871.817       28.21834  1662.471       28.21834  432.4770 3.262410  407.5558 3.461899  24.92111       4.756896  
1 1 1 29 12 2  o 205.1477 1.407689  421.0069       4.083606  427.9543       8.167212  414.0596       8.167212  206.8409 1.974274  203.4544 2.007136  3.386520       2.815378  
1 1 1 29 12 3  o 377.2877 2.291907  1425.079       12.22223  1479.057       24.44446  1371.101       24.44446  384.4412 3.179220  370.1343 3.302107  14.30685       4.583814  
1 1 1 29 12 4  o 292.7764 1.856119  857.9386       7.681183  825.8129       15.36237  890.0642       15.36237  287.2900 2.673669  298.2628 2.575307  -10.97275      3.712238  
1 1 1 29 12 5  o 178.5834 1.584206  319.4696       3.993072  342.6513       7.986144  296.2878       7.986144  185.0738 2.157556  172.0929 2.320300  12.98091       3.168413  
1 1 1 29 12 6  o 346.5912 2.114024  1203.063       10.34958  1135.214       20.69917  1270.912       20.69917  336.8032 3.072888  356.3793 2.904093  -19.57608      4.228049  
1 1 1 29 12 7  o 54.31084 2.931162  30.06240       2.191901  22.19538       4.383801  37.92942       4.383801  47.06825 4.656857  61.55342 3.560973  -14.48518      5.862324  
1 1 1 29 12 8  o 122.7829 1.627358  150.8409       2.825646  149.2399       5.651292  152.4419       5.651292  122.1310 2.313620  123.4349 2.289179  -1.303963      3.254716  
1 1 1 29 12 9  o 302.5567 1.917930  916.4957       8.200569  956.4597       16.40114  876.5316       16.40114  309.1611 2.652523  295.9523 2.770909  13.20880       3.835859  
1 1 1 29 12 10 o 211.6103 1.647469  448.5821       4.922247  478.0536       9.844495  419.1105       9.844495  218.5739 2.251982  204.6467 2.405242  13.92726       3.294938  
1 1 1 29 12 11 o 199.5318 1.673964  398.8211       4.717352  375.1676       9.434704  422.4746       9.434704  193.6046 2.436591  205.4591 2.296006  -11.85451      3.347928  
1 1 1 29 12 12 o 37.29969 5.192830  14.65238       2.663636  19.60322       5.327272  9.701544       5.327272  44.12098 6.037119  30.47839 8.450747  13.64259       10.38566  
1 1 1 29 12 13 o 105.7664 2.396982  112.3016       3.578516  104.3440       7.157033  120.2591       7.157033  102.0045 3.508195  109.5282 3.267209  -7.523720      4.793963  
1 1 1 29 12 14 o 35.65863 5.081748  10.34959       3.611871  -10.07321      7.223743  30.77238       7.223743  16.19771 7.769010  55.11955 6.552795  -38.92184      10.16350  
1 1 1 29 12 15 o 71.92870 4.109923  52.54844       4.159847  46.57313       8.319694  58.52375       8.319694  67.77506 6.137725  76.08234 5.467559  -8.307274      8.219846  
1 1 1 29 12 16 f 106.3518 3.745124  114.8318       5.613173  103.9152       11.22635  125.7484       11.22635  101.2195 5.545546  111.4841 5.034953  -10.26463      7.490249  
1 1 1 29 12 17 o 63.80013 7.079295  44.60041       5.941957  60.11526       11.88391  29.08557       11.88391  76.37247 7.780235  51.22778 11.82935  25.14468       14.15859  
1 1 1 29 12 18 o 29.52408 8.707995  -0.1048301     6.637648  -12.04593      13.27530  11.83626       13.27530  23.32589 10.96941  35.72227 13.52734  -12.39638      17.41599  
1 1 1 29 12 19 o 40.73824 9.511498  17.74010       6.894957  28.44706       13.78991  7.033143       13.78991  49.01880 13.59801  32.45767 13.30295  16.56113       19.02300  
1 1 1 29 12 20 o 25.33655 11.94699  -12.03640      15.95323  -12.03640      15.95323  ?              ?         25.33655 11.94699  ?        ?         ?              ?         
1 1 1 29 13 0  o 226.6691 3.369366  514.3439       15.26707  514.3439       15.26707  514.3439       15.26707  226.6691 3.369366  226.6691 3.369366  0.000000       0.000000  
1 1 1 29 13 1  o 194.3454 1.520397  378.1077       4.174142  357.6229       8.348284  398.5924       8.348284  189.0752 2.207662  199.6156 2.091090  -10.54037      3.040794  
1 1 1 29 13 2  o 157.0147 1.360686  246.6270       3.021011  241.8620       6.042023  251.3920       6.042023  155.4973 1.942806  158.5321 1.905615  -3.034760      2.721372  
1 1 1 29 13 3  o 203.4762 1.526667  414.4599       4.388567  392.6934       8.777133  436.2264       8.777133  198.1276 2.215021  208.8249 2.101553  -10.69736      3.053333  
1 1 1 29 13 4  o 119.5370 1.513419  143.1073       2.554041  133.4201       5.108082  152.7946       5.108082  115.4850 2.211578  123.5890 2.066561  -8.103981      3.026839  
1 1 1 29 13 5  o 490.9087 2.853894  2413.064       19.81288  2398.445       39.62576  2427.683       39.62576  489.4197 4.048239  492.3976 4.023756  -2.977936      5.707788  
1 1 1 29 13 6  o 185.4131 1.568975  344.2857       4.107431  366.8384       8.214863  321.7329       8.214863  191.4948 2.144931  179.3313 2.290416  12.16353       3.137950  
1 1 1 29 13 7  o 192.8316 1.707018  373.2950       4.631582  330.0717       9.263164  416.5184       9.263164  181.6241 2.550093  204.0391 2.269948  -22.41507      3.414035  
1 1 1 29 13 8  o 85.65038 2.108623  73.42391       2.554041  74.13390       5.108082  72.71393       5.108082  86.06484 2.967578  85.23590 2.996438  0.8289413      4.217245  
1 1 1 29 13 9  o 203.9903 1.661659  418.0289       4.765002  470.6201       9.530005  365.4376       9.530005  216.8809 2.197059  191.0996 2.493465  25.78130       3.323317  
1 1 1 29 13 10 f 108.2680 2.091308  117.3477       3.202081  117.1237       6.404162  117.5717       6.404162  108.1645 2.960380  108.3714 2.954729  -0.2068634     4.182616  
1 1 1 29 13 11 o 102.6058 2.117811  105.5305       3.068661  99.00721       6.137322  112.0538       6.137322  99.42701 3.086346  105.7846 2.900857  -6.357628      4.235623  
1 1 1 29 13 12 o 190.5802 1.708278  363.7079       4.602992  354.2207       9.205984  373.1949       9.205984  188.0912 2.447213  193.0692 2.384115  -4.978027      3.416556  
1 1 1 29 13 13 o 163.4623 1.783661  267.9122       4.116962  285.0233       8.233924  250.8011       8.233924  168.6962 2.440459  158.2283 2.601912  10.46794       3.567322  
1 1 1 29 13 14 o 62.37006 4.079822  39.38750       3.588047  35.94718       7.176094  42.82784       7.176094  59.61206 6.018995  65.12806 5.509218  -5.515999      8.159643  
1 1 1 29 13 15 o 93.39667 3.313847  88.17637       4.359977  97.07262       8.719954  79.28011       8.719954  98.15929 4.441736  88.63405 4.919077  9.525246       6.627695  
1 1 1 29 13 16 o 35.41796 8.066777  13.14188       4.631582  10.88326       9.263164  15.40049       9.263164  33.10925 11.46187  37.72668 11.35417  -4.617439      16.13355  
1 1 1 29 13 17 o 95.16349 4.809801  93.79906       6.351747  114.1218       12.70349  73.47633       12.70349  105.8413 6.001200  84.48569 7.518135  21.35561       9.619602  
1 1 1 29 13 18 o 56.33876 8.269100  36.19495       6.547113  51.39531       13.09423  20.99460       13.09423  69.68809 9.394880  42.98943 13.61059  26.69865       16.53820  
1 1 1 29 13 19 o 80.67507 6.873098  70.34572       7.800308  62.62165       15.60062  78.06979       15.60062  75.88792 10.27872  85.46222 9.127201  -9.574295      13.74620  
1 1 1 29 13 20 o 76.06368 8.284715  66.16205       8.891494  70.68404       17.78299  61.64006       17.78299  79.03619 11.24990  73.09118 12.16494  5.945007       16.56943  
1 1 1 29 14 0  o 161.6882 2.919687  261.7702       9.434704  261.7702       9.434704  261.7702       9.434704  161.6882 2.919687  161.6882 2.919687  0.000000       0.000000  
1 1 1 29 14 1  o 160.6920 1.402766  259.5878       3.163961  296.1258       6.327922  223.0497       6.327922  172.0610 1.838860  149.3231 2.118870  22.73793       2.805533  
1 1 1 29 14 2  o 378.5990 2.289128  1434.604       12.25558  1415.005       24.51117  1454.202       24.51117  376.0107 3.259372  381.1873 3.215109  -5.176575      4.578256  
1 1 1 29 14 3  f 354.6336 2.155766  1260.057       10.79273  1173.868       21.58546  1346.247       21.58546  342.4817 3.151330  366.7855 2.942518  -24.30377      4.311531  
1 1 1 29 14 4  o 217.6961 1.556341  475.5329       4.769767  423.3800       9.539534  527.6859       9.539534  205.7177 2.318598  229.6745 2.076751  -23.95677      3.112682  
1 1 1 29 14 5  o 264.0835 1.808113  697.8155       6.752007  685.7314       13.50401  709.8995       13.50401  261.7956 2.579114  266.3714 2.534809  -4.575836      3.616226  
1 1 1 29 14 6  o 323.1163 1.997955  1044.750       9.129744  1042.011       18.25949  1047.490       18.25949  322.6924 2.829241  323.5403 2.821826  -0.8479614     3.995911  
1 1 1 29 14 7  o 225.8580 1.619357  510.5413       5.170027  528.4196       10.34005  492.6631       10.34005  229.8158 2.249639  221.9001 2.329890  7.915726       3.238713  
1 1 1 29 14 8  o 124.3573 1.731807  156.3826       2.997186  188.3510       5.994372  124.4142       5.994372  137.2108 2.184367  111.5039 2.687966  25.70689       3.463614  
1 1 1 29 14 9  o 128.3482 1.784416  164.9787       3.235436  173.8082       6.470873  156.1491       6.470873  131.7879 2.455033  124.9085 2.590245  6.879379       3.568831  
1 1 1 29 14 10 o 134.9643 1.800225  182.4948       3.430801  194.1357       6.861602  170.8539       6.861602  139.2769 2.463295  130.6518 2.625913  8.625153       3.600450  
1 1 1 29 14 11 o 248.5175 1.793254  618.7880       6.294568  582.9694       12.58914  654.6064       12.58914  241.3110 2.608487  255.7239 2.461470  -14.41287      3.586509  
1 1 1 29 14 12 o 107.4134 2.252727  115.7467       3.416506  123.3087       6.833013  108.1846       6.833013  110.9335 3.079779  103.8933 3.288476  7.040154       4.505454  
1 1 1 29 14 13 o 142.4964 1.946544  203.5371       3.921597  198.0239       7.843193  209.0502       7.843193  140.5619 2.789943  144.4308 2.715208  -3.868958      3.893088  
1 1 1 29 14 14 o 53.86427 5.167041  30.97251       3.611871  42.29416       7.223743  19.65087       7.223743  64.68553 5.583740  43.04301 8.695694  21.64252       10.33408  
1 1 1 29 14 15 o 81.09894 3.560612  66.40031       4.083606  65.86185       8.167212  66.93875       8.167212  80.76697 5.056036  81.43091 5.014812  -0.6639404     7.121224  
1 1 1 29 14 16 o 23.11242 7.180343  -4.021661      4.798357  -11.60754      9.596713  3.564222       9.596713  19.07608 9.102482  27.14876 11.10739  -8.072678      14.36069  
1 1 1 29 14 17 o 32.23100 8.205162  8.071912       5.227207  16.55362       10.45441  -0.4097902     10.45441  39.00724 12.12820  25.45475 11.05466  13.55250       16.41032  
1 1 1 29 14 18 o 41.09547 9.760777  18.49774       6.799657  13.96145       13.59931  23.03402       13.59931  37.41572 13.79289  44.77522 13.81475  -7.359493      19.52155  
1 1 1 29 14 19 o 55.98347 8.735263  37.42433       7.366693  58.97166       14.73339  15.87699       14.73339  73.57355 10.01269  38.39338 14.31661  35.18016       17.47053  
1 1 1 29 14 20 o 77.07066 7.922125  68.43019       8.224394  83.05399       16.44879  53.80640       16.44879  87.04325 9.448629  67.09808 12.71863  19.94518       15.84425  
1 1 1 29 15 0  o 81.49418 3.794814  66.88157       6.156383  66.88157       6.156383  66.88157       6.156383  81.49418 3.794814  81.49418 3.794814  0.000000       0.000000  
1 1 1 29 15 1  o 134.8201 1.540638  182.9094       2.911416  154.9197       5.822832  210.8990       5.822832  124.4397 2.339620  145.2004 2.005102  -20.76074      3.081275  
1 1 1 29 15 2  o 238.8599 1.639353  572.8056       5.508343  640.7307       11.01669  504.8806       11.01669  253.0785 2.176535  224.6413 2.452061  28.43723       3.278705  
1 1 1 29 15 3  o 170.0504 1.623568  289.8598       3.893007  264.2480       7.786013  315.4717       7.786013  162.5197 2.395406  177.5811 2.192242  -15.06134      3.247136  
1 1 1 29 15 4  o 263.9169 1.722052  697.1436       6.423223  725.7955       12.84645  668.4916       12.84645  269.3452 2.384755  258.4887 2.484914  10.85641       3.444104  
1 1 1 29 15 5  o 374.9435 2.343646  1407.091       12.42712  1401.959       24.85425  1412.223       24.85425  374.2592 3.320459  375.6279 3.308360  -1.368744      4.687291  
1 1 1 29 15 6  o 119.9320 1.739794  143.9603       2.949536  148.9254       5.899073  138.9951       5.899073  122.0019 2.417614  117.8620 2.502534  4.139961       3.479588  
1 1 1 29 15 7  o 74.08930 2.310871  54.95953       2.420621  53.47285       4.841242  56.44621       4.841242  73.08600 3.312017  75.09261 3.223514  -2.006607      4.621742  
1 1 1 29 15 8  o 80.00270 2.341641  64.07498       2.649341  64.30846       5.298682  63.84150       5.298682  80.14862 3.305536  79.85677 3.317616  0.2918472      4.683283  
1 1 1 29 15 9  o 51.56521 3.579099  26.89367       2.577866  22.06196       5.155732  31.72538       5.155732  46.88016 5.498842  56.25026 4.582852  -9.370098      7.158198  
1 1 1 29 15 10 o 184.8112 1.670563  341.9127       4.364742  352.2003       8.729484  331.6251       8.729484  187.5945 2.326689  182.0279 2.397842  5.566559       3.341127  
1 1 1 29 15 11 o 65.13016 3.126596  42.86596       2.849471  49.99440       5.698943  35.73751       5.698943  70.60262 4.035928  59.65770 4.776368  10.94492       6.253192  
1 1 1 29 15 12 o 234.1728 1.798920  549.1998       5.956253  562.0988       11.91251  536.3010       11.91251  236.9269 2.513962  231.4187 2.573799  5.508270       3.597839  
1 1 1 29 15 13 o 184.5162 1.861538  341.2742       4.855536  352.7245       9.711073  329.8239       9.711073  187.6190 2.587977  181.4134 2.676504  6.205582       3.723076  
1 1 1 29 15 14 o 66.58348 4.213620  46.30629       3.773881  62.45965       7.547763  30.15293       7.547763  78.71364 4.794444  54.45332 6.930488  24.26031       8.427239  
1 1 1 29 15 15 o 81.40096 3.854829  67.03880       4.436216  65.11852       8.872433  68.95911       8.872433  80.22143 5.529965  82.58048 5.371992  -2.359055      7.709657  
1 1 1 29 15 16 f 150.1369 2.671221  227.0095       5.670352  221.3629       11.34070  232.6560       11.34070  148.2564 3.824692  152.0174 3.730069  -3.760925      5.342442  
1 1 1 29 15 17 f 129.2104 3.273314  169.2862       5.961017  153.3759       11.92203  185.1966       11.92203  123.0536 4.844245  135.3671 4.403594  -12.31352      6.546628  
1 1 1 29 15 18 o 76.02015 6.134885  60.88719       6.589998  58.15208       13.18000  63.62230       13.18000  74.22121 8.878860  77.81908 8.468357  -3.597870      12.26977  
1 1 1 29 15 19 o 105.4177 5.344439  116.9617       7.952788  124.8049       15.90558  109.1185       15.90558  109.1378 7.286924  101.6977 7.820029  7.440109       10.68888  
1 1 1 29 15 20 f 91.89403 6.266663  92.47916       8.143388  91.26884       16.28678  93.68946       16.28678  91.23550 8.925680  92.55256 8.798663  -1.317062      12.53333  
1 1 1 29 16 0  o 39.60444 8.746700  17.83064       6.051552  17.83064       6.051552  17.83064       6.051552  39.60444 8.746700  39.60444 8.746700  0.000000       0.000000  
1 1 1 29 16 1  f 379.5143 2.238767  1442.104       12.00780  1502.701       24.01561  1381.508       24.01561  387.4977 3.098807  371.5308 3.231981  15.96686       4.477533  
1 1 1 29 16 2  o 247.5544 1.735270  613.4272       6.070612  586.2573       12.14122  640.5973       12.14122  242.0667 2.507826  253.0421 2.399052  -10.97539      3.470539  
1 1 1 29 16 3  o 148.0964 1.610919  219.4284       3.373621  216.1214       6.747242  222.7352       6.747242  146.9800 2.295293  149.2129 2.260945  -2.232956      3.221838  
1 1 1 29 16 4  o 81.83266 2.172563  67.49625       2.487331  56.15079       4.974662  78.84172       4.974662  74.90054 3.320845  88.76477 2.802160  -13.86423      4.345126  
1 1 1 29 16 5  o 268.7860 1.800552  723.3272       6.837778  686.9799       13.67556  759.6747       13.67556  262.0246 2.609594  275.5474 2.481525  -13.52283      3.601104  
1 1 1 29 16 6  o 262.9182 1.778230  691.8925       6.609057  715.1315       13.21811  668.6536       13.21811  267.3376 2.472177  258.4987 2.556708  8.838837       3.556461  
1 1 1 29 16 7  o 320.6552 2.079680  1029.083       9.429938  1012.753       18.85988  1045.413       18.85988  318.1089 2.964374  323.2015 2.917665  -5.092590      4.159361  
1 1 1 29 16 8  o 248.6981 1.793878  619.3073       6.304098  648.2785       12.60820  590.3361       12.60820  254.5227 2.476832  242.8735 2.595630  11.64915       3.587756  
1 1 1 29 16 9  o 168.3523 1.681173  283.6272       4.002602  285.0329       8.005203  282.2215       8.005203  168.7698 2.371634  167.9348 2.383425  0.8349609      3.362345  
1 1 1 29 16 10 o 161.3021 1.757572  260.5217       4.007367  269.8420       8.014733  251.2014       8.014733  164.1912 2.440671  158.4130 2.529696  5.778183       3.515144  
1 1 1 29 16 11 o 50.08454 4.084685  25.39270       2.868531  29.18087       5.737062  21.60452       5.737062  53.86633 5.325277  46.30276 6.195163  7.563568       8.169371  
1 1 1 29 16 12 o 115.3384 2.162970  133.9680       3.502276  152.5754       7.004553  115.3607       7.004553  123.4048 2.838039  107.2720 3.264857  16.13282       4.325940  
1 1 1 29 16 13 o 30.07556 7.151990  8.796193       3.602341  9.539534       7.204682  8.052853       7.204682  30.91581 10.11927  29.23531 10.10961  1.680502       14.30398  
1 1 1 29 16 14 o 76.50753 3.654332  60.62036       3.797706  79.76614       7.595412  41.47458       7.595412  89.01987 4.266133  63.99518 5.934363  25.02469       7.308663  
1 1 1 29 16 15 o 103.8863 3.091293  109.2567       4.512457  95.10944       9.024914  123.4040       9.024914  97.07730 4.648313  110.6954 4.076465  -13.61805      6.182587  
1 1 1 29 16 16 o 122.2971 3.062201  150.9839       5.293917  145.9044       10.58783  156.0633       10.58783  120.2204 4.403509  124.3738 4.256456  -4.153397      6.124403  
1 1 1 29 16 17 o 28.81674 8.336840  3.092486       5.641763  -3.259262      11.28353  9.444233       11.28353  24.76493 11.07511  32.86855 12.46409  -8.103619      16.67368  
1 1 1 29 16 18 o 32.97544 9.227238  8.462644       6.489933  12.81786       12.97987  4.107431       12.97987  35.87319 13.42558  30.07768 12.66182  5.795504       18.45448  
1 1 1 29 16 19 o 87.60443 6.141043  82.32970       7.585882  75.53481       15.17176  89.12460       15.17176  83.72626 9.060339  91.48260 8.292159  -7.756340      12.28209  
1 1 1 29 16 20 o 68.65971 8.733642  59.38622       8.067148  41.60800       16.13430  77.16444       16.13430  55.29916 14.43495  82.02026 9.835556  -26.72109      17.46728  
1 1 1 29 17 0  o 206.7460 3.343860  427.9639       13.81851  427.9639       13.81851  427.9639       13.81851  206.7460 3.343860  206.7460 3.343860  0.000000       0.000000  
1 1 1 29 17 1  o 159.7208 1.564039  257.6055       3.483216  208.0972       6.966432  307.1139       6.966432  144.2224 2.415171  175.2192 1.987920  -30.99683      3.128078  
1 1 1 29 17 2  o 182.1330 1.540822  332.3541       3.959717  306.4659       7.919433  358.2424       7.919433  175.0261 2.262358  189.2400 2.092431  -14.21391      3.081645  
1 1 1 29 17 3  o 221.6071 1.673552  491.8292       5.236737  460.1658       10.47347  523.4927       10.47347  214.4630 2.441790  228.7511 2.289273  -14.28809      3.347105  
1 1 1 29 17 4  o 275.0122 1.897190  756.9540       7.376224  779.4113       14.75245  734.4965       14.75245  279.0952 2.642906  270.9292 2.722565  8.166016       3.794379  
1 1 1 29 17 5  o 190.7610 1.632344  364.1319       4.402863  372.2515       8.805723  356.0123       8.805723  192.8892 2.282586  188.6328 2.334092  4.256424       3.264688  
1 1 1 29 17 6  o 115.6820 1.804902  134.1491       2.944771  145.5517       5.889543  122.7465       5.889543  120.6104 2.441556  110.7536 2.658850  9.856888       3.609803  
1 1 1 29 17 7  o 90.38981 2.374732  81.88656       3.030541  87.35201       6.061082  76.42110       6.061082  93.41308 3.244236  87.36654 3.468767  6.046539       4.749465  
1 1 1 29 17 8  o 92.26620 2.202447  85.62231       2.854236  74.12437       5.708472  97.12027       5.708472  86.03535 3.317516  98.49706 2.897788  -12.46172      4.404894  
1 1 1 29 17 9  o 87.42166 2.466160  76.70222       3.040071  83.45425       6.080142  69.95023       6.080142  91.28341 3.330365  83.55991 3.638193  7.723495       4.932321  
1 1 1 29 17 10 o 63.84325 3.831271  43.12804       3.187786  24.19668       6.375573  62.05939       6.375573  49.01682 6.503454  78.66969 4.052115  -29.65286      7.662542  
1 1 1 29 17 11 o 112.1834 2.107447  126.1677       3.340266  132.5528       6.680532  119.7826       6.680532  115.0293 2.903841  109.3376 3.055003  5.691673       4.214894  
1 1 1 29 17 12 o 126.9379 2.079926  162.0053       3.716702  144.1699       7.433403  179.8407       7.433403  119.9126 3.099508  133.9631 2.774421  -14.05051      4.159852  
1 1 1 29 17 13 o 131.3018 2.235711  173.6462       4.126492  195.5080       8.252983  151.7844       8.252983  139.6269 2.955370  122.9768 3.355504  16.65005       4.471422  
1 1 1 29 17 14 o 60.49379 4.740470  37.32903       4.035956  41.48410       8.071913  33.17394       8.071913  63.92809 6.313276  57.05948 7.073244  6.868610       9.480940  
1 1 1 29 17 15 o 87.93259 3.583455  78.77025       4.412392  66.22400       8.824783  91.31650       8.824783  80.79857 5.460978  95.06660 4.641369  -14.26803      7.166909  
1 1 1 29 17 16 o 73.18230 5.205181  55.89824       5.246267  70.11224       10.49253  41.68424       10.49253  82.89366 6.328912  63.47093 8.265622  19.42273       10.41036  
1 1 1 29 17 17 o 74.20489 5.817737  58.10443       5.984842  70.77934       11.96968  45.42953       11.96968  82.74536 7.232843  65.66441 9.114286  17.08095       11.63547  
1 1 1 29 17 18 o 70.01462 6.529280  52.49603       6.413693  59.63876       12.82739  45.35329       12.82739  75.11552 8.538441  64.91373 9.880334  10.20179       13.05856  
1 1 1 29 17 19 o 42.58635 15.16885  22.30974       16.32490  22.30974       16.32490  ?              ?         42.58635 15.16885  ?        ?         ?              ?         
1 1 1 29 18 0  o 178.0155 3.010574  317.2824       10.71172  317.2824       10.71172  317.2824       10.71172  178.0155 3.010574  178.0155 3.010574  0.000000       0.000000  
1 1 1 29 18 1  o 150.4728 1.560554  227.3621       3.302146  199.5678       6.604293  255.1563       6.604293  141.2372 2.338014  159.7085 2.067609  -18.47127      3.121109  
1 1 1 29 18 2  o 232.8475 1.688735  542.4478       5.560757  537.3873       11.12151  547.5082       11.12151  231.7609 2.399351  233.9342 2.377061  -2.173309      3.377470  
1 1 1 29 18 3  f 335.0272 2.071952  1123.354       9.815904  1104.794       19.63181  1141.914       19.63181  332.2573 2.954308  337.7971 2.905858  -5.539764      4.143905  
1 1 1 29 18 4  o 327.2109 2.238372  1076.881       10.28287  1225.968       20.56575  927.7935       20.56575  349.9924 2.938028  304.4294 3.377754  45.56308       4.476743  
1 1 1 29 18 5  o 246.5876 1.747717  608.4431       6.094438  615.7907       12.18888  601.0955       12.18888  248.0775 2.456667  245.0978 2.486533  2.979721       3.495434  
1 1 1 29 18 6  o 219.2658 1.699409  481.2985       5.265327  458.7458       10.53065  503.8513       10.53065  214.1230 2.459020  224.4086 2.346313  -10.28557      3.398818  
1 1 1 29 18 7  o 192.0812 1.664995  369.2400       4.521987  360.8822       9.043974  377.5978       9.043974  189.9057 2.381176  194.2568 2.327839  -4.351181      3.329990  
1 1 1 29 18 8  o 227.0547 1.787159  517.4697       5.713237  573.5252       11.42647  461.4142       11.42647  239.3987 2.386495  214.7106 2.660901  24.68811       3.574319  
1 1 1 29 18 9  o 183.5912 1.776653  337.8672       4.602992  363.3218       9.205984  312.4126       9.205984  190.5236 2.415970  176.6587 2.605584  13.86487       3.553305  
1 1 1 29 18 10 o 38.71800 6.048351  15.79122       3.225906  16.91576       6.451812  14.66668       6.451812  40.14193 8.316399  37.29407 8.784515  2.847858       12.09670  
1 1 1 29 18 11 o 52.71348 4.151285  28.00392       3.092486  29.21899       6.184973  26.78884       6.184973  53.86601 5.741072  51.56094 5.997730  2.305065       8.302570  
1 1 1 29 18 12 o 182.2451 1.948849  332.9211       5.022312  338.4581       10.04462  327.3842       10.04462  183.7642 2.733020  180.7260 2.778965  3.038177       3.897697  
1 1 1 29 18 13 f 64.59676 4.031988  42.20362       3.683347  42.36086       7.366693  42.04638       7.366693  64.71847 5.691338  64.47504 5.712825  0.2434235      8.063975  
1 1 1 29 18 14 o 136.1832 2.574378  186.7976       4.941307  204.4090       9.882613  169.1862       9.882613  142.6493 3.463954  129.7171 3.809294  12.93217       5.148757  
1 1 1 29 18 15 o 90.23476 3.428727  82.56796       4.359977  90.47787       8.719954  74.65805       8.719954  94.61772 4.607992  85.85181 5.078492  8.765915       6.857453  
1 1 1 29 18 16 o 94.13538 3.971485  90.11096       5.284387  93.41310       10.56877  86.80881       10.56877  95.88932 5.510924  92.38145 5.720182  3.507874       7.942970  
1 1 1 29 18 17 f 52.87453 8.089264  31.69203       6.137322  45.63919       12.27464  17.74487       12.27464  65.69105 9.342709  40.05802 13.20828  25.63303       16.17853  
1 1 1 29 18 18 o 104.0459 4.952578  112.6446       7.280923  117.9052       14.56185  107.3841       14.56185  106.5739 6.831810  101.5178 7.172062  5.056015       9.905155  
1 1 1 29 18 19 o 61.93428 9.810543  47.21641       8.381639  46.45877       16.76328  47.97404       16.76328  61.34216 13.97161  62.52641 13.77611  -1.184258      19.62109  
1 1 1 29 19 0  o 487.8491 5.488866  2383.997       53.53956  2383.997       53.53956  2383.997       53.53956  487.8491 5.488866  487.8491 5.488866  0.000000       0.000000  
1 1 1 29 19 1  o 230.2625 1.606843  530.4877       5.231973  539.4268       10.46395  521.5485       10.46395  232.2036 2.253184  228.3214 2.291494  3.882156       3.213687  
1 1 1 29 19 2  o 165.0540 1.543568  272.5819       3.602341  278.6859       7.204682  266.4779       7.204682  166.9031 2.158344  163.2049 2.207251  3.698166       3.087135  
1 1 1 29 19 3  o 159.5219 1.681669  256.7907       3.745291  303.9023       7.490582  209.6791       7.490582  174.2884 2.148905  144.7554 2.587325  29.53299       3.363338  
1 1 1 29 19 4  o 213.7214 1.779917  457.0590       5.379687  454.3239       10.75937  459.7941       10.75937  213.0815 2.524708  214.3613 2.509635  -1.279785      3.559835  
1 1 1 29 19 5  o 79.83028 2.392820  64.77068       2.639811  48.98422       5.279623  80.55713       5.279623  69.94276 3.774245  89.71779 2.942350  -19.77502      4.785640  
1 1 1 29 19 6  o 196.4459 1.722047  386.1605       4.784062  383.7828       9.568124  388.5383       9.568124  195.8407 2.442833  197.0511 2.427828  -1.210388      3.444094  
1 1 1 29 19 7  o 229.6098 1.840829  528.3482       5.965783  566.4634       11.93157  490.2329       11.93157  237.9098 2.507582  221.3098 2.695670  16.60001       3.681658  
1 1 1 29 19 8  o 165.9156 1.855016  275.8317       4.345681  293.7719       8.691362  257.8914       8.691362  171.3220 2.536558  160.5092 2.707435  10.81285       3.710031  
1 1 1 29 19 9  o 185.4840 1.850848  346.2060       4.817417  395.7334       9.634833  296.6786       9.634833  198.8349 2.422823  172.1332 2.798657  26.70174       3.701696  
1 1 1 29 19 10 f 87.97583 2.739187  78.51771       3.349797  95.09038       6.699593  61.94503       6.699593  97.39471 3.439403  78.55695 4.264163  18.83776       5.478374  
1 1 1 29 19 11 o 60.80184 3.639566  37.23373       3.125841  35.15619       6.251682  39.31126       6.251682  59.09339 5.289663  62.51029 5.000523  -3.416904      7.279132  
1 1 1 29 19 12 o 154.6588 1.969485  239.7511       4.307562  237.8117       8.615124  241.6904       8.615124  154.0318 2.796540  155.2858 2.773957  -1.253967      3.938969  
1 1 1 29 19 13 o 44.13310 6.042010  20.47045       3.683347  16.94435       7.366693  23.99655       7.366693  39.77457 9.398231  48.49163 7.595840  -8.717060      12.08402  
1 1 1 29 19 14 o 123.2294 2.682626  152.8422       4.669702  161.2572       9.339403  144.4272       9.339403  126.6437 3.687275  119.8150 3.897427  6.828712       5.365252  
1 1 1 29 19 15 o 80.42340 4.179676  67.90128       4.512457  43.86661       9.024914  91.93595       9.024914  65.48080 6.891266  95.36599 4.731726  -29.88519      8.359352  
1 1 1 29 19 16 o 69.96194 5.304674  50.53761       5.231973  55.02625       10.46395  46.04898       10.46395  73.16985 7.150448  66.75403 7.837688  6.415825       10.60935  
1 1 1 29 19 17 o 83.10477 5.266796  71.64657       6.189737  72.31367       12.37947  70.97946       12.37947  83.50613 7.412314  82.70341 7.484259  0.8027267      10.53359  
1 1 1 29 19 18 o 150.8459 3.518339  232.9752       7.485818  213.8819       14.97164  252.0686       14.97164  144.5172 5.179882  157.1747 4.762738  -12.65753      7.036678  
1 1 1 29 19 19 o 88.34017 6.245506  85.48890       7.619238  105.1159       15.23848  65.86185       15.23848  99.44896 7.661456  77.23138 9.865469  22.21758       12.49101  
1 1 1 29 20 0  o 116.1704 3.262463  135.3451       7.566823  135.3451       7.566823  135.3451       7.566823  116.1704 3.262463  116.1704 3.262463  0.000000       0.000000  
1 1 1 29 20 1  o 86.67004 2.160145  75.51575       2.630281  85.47461       5.260562  65.55690       5.260562  92.41531 2.846153  80.92477 3.250279  11.49054       4.320290  
1 1 1 29 20 2  o 301.9692 1.951757  912.9695       8.329224  952.0283       16.65845  873.9108       16.65845  308.4366 2.700465  295.5019 2.818670  12.93469       3.903513  
1 1 1 29 20 3  o 164.6952 1.635240  272.1340       3.792941  243.6155       7.585882  300.6526       7.585882  156.0372 2.430793  173.3531 2.187985  -17.31596      3.270479  
1 1 1 29 20 4  o 306.1266 1.962004  938.0098       8.491233  910.0201       16.98247  965.9993       16.98247  301.5551 2.815815  310.6982 2.732952  -9.143158      3.924009  
1 1 1 29 20 5  o 181.5535 1.721894  330.4862       4.407627  360.1674       8.815253  300.8051       8.815253  189.7277 2.323133  173.3792 2.542189  16.34848       3.443787  
1 1 1 29 20 6  o 128.3991 1.847144  166.3986       3.311677  136.0408       6.623353  196.7565       6.623353  116.5775 2.840751  140.2208 2.361758  -23.64333      3.694289  
1 1 1 29 20 7  o 153.7734 1.738351  237.1112       3.769116  216.0356       7.538233  258.1869       7.538233  146.9206 2.565411  160.6262 2.346514  -13.70563      3.476703  
1 1 1 29 20 8  o 81.96695 2.676762  67.34853       3.102016  69.16876       6.204032  65.52830       6.204032  83.07730 3.733891  80.85661 3.836441  2.220695       5.353525  
1 1 1 29 20 9  o 162.1179 1.744623  263.2044       3.997837  253.4886       7.995674  272.9203       7.995674  159.1214 2.512445  165.1145 2.421252  -5.993088      3.489246  
1 1 1 29 20 10 o 147.2376 1.898690  217.2412       3.950187  227.5765       7.900373  206.9059       7.900373  150.7473 2.620402  143.7279 2.748379  7.019470       3.797380  
1 1 1 29 20 11 o 66.01865 3.904927  44.41935       3.588047  53.40615       7.176094  35.43255       7.176094  72.82491 4.926950  59.21240 6.059621  13.61251       7.809855  
1 1 1 29 20 12 o 41.36329 6.278018  18.45962       3.840591  6.928313       7.681183  29.99092       7.681183  28.40587 10.37623  54.32071 7.070216  -25.91485      12.55604  
1 1 1 29 20 13 o 125.3333 2.422918  158.1552       4.278972  173.6271       8.557944  142.6832       8.557944  131.5056 3.253833  119.1609 3.590918  12.34466       4.845835  
1 1 1 29 20 14 o 137.3099 2.643376  190.0092       5.122376  175.9620       10.24475  204.0564       10.24475  132.1947 3.874872  142.4250 3.596542  -10.23030      5.286752  
1 1 1 29 20 15 o 50.88602 6.781467  27.56553       4.774532  30.20058       9.549064  24.93049       9.549064  53.91776 8.855211  47.85427 10.27319  6.063488       13.56293  
1 1 1 29 20 16 o 83.57594 4.338462  71.63705       5.103317  63.74620       10.20663  79.52789       10.20663  78.85518 6.471759  88.29670 5.779737  -9.441521      8.676925  
1 1 1 29 20 17 o 30.02348 8.712356  4.488632       6.108732  10.17804       12.21746  -1.200781      12.21746  33.52598 12.89548  26.52098 11.71866  7.004997       17.42471  
1 1 1 29 20 18 o 59.32806 8.417408  40.69788       6.813953  39.66388       13.62791  41.73189       13.62791  58.44133 12.07091  60.21480 11.73474  -1.773472      16.83482  
1 1 1 29 20 19 o 64.33956 9.000015  51.06176       7.981378  37.92942       15.96276  64.19411       15.96276  53.75673 14.50923  74.92240 10.65286  -21.16568      18.00003  
1 1 1 29 21 0  o 361.8207 4.439624  1310.976       32.11611  1310.976       32.11611  1310.976       32.11611  361.8207 4.439624  361.8207 4.439624  0.000000       0.000000  
1 1 1 29 21 1  o 309.7548 1.943686  960.4862       8.510294  925.6683       17.02059  995.3041       17.02059  304.1345 2.798201  315.3750 2.698468  -11.24051      3.887372  
1 1 1 29 21 2  o 187.9832 1.691434  353.7347       4.493397  338.2103       8.986794  369.2591       8.986794  183.8540 2.444003  192.1124 2.338942  -8.258408      3.382869  
1 1 1 29 21 3  o 143.7317 1.697703  207.6922       3.426036  236.3536       6.852073  179.0306       6.852073  153.7022 2.229009  133.7612 2.561307  19.94096       3.395405  
1 1 1 29 21 4  o 242.0289 1.735310  586.3096       5.937192  605.6889       11.87438  566.9304       11.87438  246.0324 2.413175  238.0254 2.494353  8.007019       3.470621  
1 1 1 29 21 5  o 230.9403 1.888295  533.8755       6.165912  521.5295       12.33182  546.2217       12.33182  228.2673 2.701181  233.6133 2.639367  -5.346024      3.776591  
1 1 1 29 21 6  o 44.91696 4.510349  21.18996       2.658871  28.33270       5.317742  14.04722       5.317742  53.14540 5.003013  36.68853 7.506188  16.45687       9.020699  
1 1 1 29 21 7  o 30.56049 6.483409  9.468058       3.073426  11.74096       6.146852  7.195153       6.146852  33.49207 8.987405  27.62891 9.346920  5.863163       12.96682  
1 1 1 29 21 8  o 152.3245 1.913444  232.3177       4.121727  234.9718       8.243454  229.6636       8.243454  153.1957 2.690498  151.4533 2.721451  1.742416       3.826888  
1 1 1 29 21 9  o 89.20049 2.650084  79.84237       3.340266  83.58766       6.680532  76.09708       6.680532  91.29985 3.658567  87.10112 3.834929  4.198730       5.300169  
1 1 1 29 21 10 o 69.80852 3.311013  49.16529       3.249731  43.08515       6.499463  55.24543       6.499463  65.45364 4.964935  74.16338 4.381854  -8.709740      6.622026  
1 1 1 29 21 11 o 81.10358 3.344669  67.19606       3.750056  83.36848       7.500113  51.02364       7.500113  91.07380 4.117602  71.13336 5.271868  19.94044       6.689337  
1 1 1 29 21 12 o 102.7066 2.729087  106.5311       3.935891  92.01218       7.871783  121.0501       7.871783  95.63845 4.115386  109.7748 3.585424  -14.13634      5.458174  
1 1 1 29 21 13 o 134.9974 2.452477  183.2667       4.674467  195.3270       9.348933  171.2065       9.348933  139.4643 3.351730  130.5306 3.581127  8.933670       4.904953  
1 1 1 29 21 14 o 56.96785 6.096734  34.55103       4.674467  26.37905       9.348933  42.72301       9.348933  49.41891 9.807425  64.51680 7.245349  -15.09789      12.19347  
1 1 1 29 21 15 o 93.15623 3.849478  88.28595       5.055667  80.38558       10.11133  96.18633       10.11133  88.91584 5.685901  97.39662 5.190803  -8.480782      7.698955  
1 1 1 29 21 16 o 115.9079 3.699813  137.2702       6.027727  154.4147       12.05545  120.1257       12.05545  123.3036 4.888525  108.5121 5.554888  14.79147       7.399626  
1 1 1 29 21 17 o 82.20769 5.291359  70.53633       6.151618  70.92229       12.30324  70.15036       12.30324  82.44244 7.461713  81.97294 7.504450  0.4694977      10.58272  
1 1 1 29 21 18 o 42.56492 14.31554  22.18585       14.41890  22.18585       14.41890  ?              ?         42.56492 14.31554  ?        ?         ?              ?         
1 1 1 29 21 19 o 51.67648 14.65707  38.65369       15.84840  38.65369       15.84840  ?              ?         51.67648 14.65707  ?        ?         ?              ?         
1 1 1 29 22 0  o 401.4588 4.814520  1614.154       38.64417  1614.154       38.64417  1614.154       38.64417  401.4588 4.814520  401.4588 4.814520  0.000000       0.000000  
1 1 1 29 22 1  o 192.7316 1.721579  372.1086       4.683997  346.4347       9.367994  397.7823       9.367994  186.0711 2.517316  199.3921 2.349139  -13.32101      3.443158  
1 1 1 29 22 2  o 200.2275 1.613956  401.1512       4.569637  394.2086       9.139274  408.0938       9.139274  198.4939 2.302155  201.9612 2.262631  -3.467361      3.227912  
1 1 1 29 22 3  o 171.0771 1.682067  292.8713       4.069312  288.9593       8.138623  296.7834       8.138623  169.9337 2.394647  172.2204 2.362851  -2.286728      3.364134  
1 1 1 29 22 4  o 172.6458 1.723452  298.3082       4.207497  293.2763       8.414993  303.3400       8.414993  171.1885 2.457815  174.1031 2.416670  -2.914566      3.446905  
1 1 1 29 22 5  o 68.91357 2.975513  47.62620       2.897121  50.02299       5.794242  45.22940       5.794242  70.65256 4.100519  67.17458 4.312824  3.477982       5.951025  
1 1 1 29 22 6  o 296.9863 2.006117  884.0746       8.410229  945.8815       16.82046  822.2678       16.82046  307.3920 2.735995  286.5807 2.934681  20.81134       4.012234  
1 1 1 29 22 7  o 160.3385 1.813514  257.5531       4.107431  243.2629       8.214863  271.8434       8.214863  155.8822 2.634959  164.7948 2.492453  -8.912552      3.627028  
1 1 1 29 22 8  o 56.82589 4.185707  34.16983       3.106781  48.96516       6.213562  19.37450       6.213562  69.84402 4.448171  43.80777 7.091850  26.03625       8.371413  
1 1 1 29 22 9  f 50.22713 4.944621  26.43147       3.292616  34.38425       6.585233  18.47868       6.585233  58.44285 5.633908  42.01142 8.127496  16.43143       9.889242  
1 1 1 29 22 10 o 39.88230 5.934943  17.09206       3.387916  26.06456       6.775833  8.119563       6.775833  50.73592 6.677549  29.02868 9.813488  21.70724       11.86989  
1 1 1 29 22 11 o 71.10446 3.727165  51.01888       3.745291  53.20601       7.490582  48.83174       7.490582  72.64243 5.155790  69.56649 5.383758  3.075943       7.454329  
1 1 1 29 22 12 o 36.37934 6.225576  13.38013       3.730997  24.20621       7.461993  2.554041       7.461993  48.68256 7.663929  24.07612 9.813021  24.60644       12.45115  
1 1 1 29 22 13 o 45.60020 6.830535  22.39074       4.274207  25.22592       8.548413  19.55557       8.548413  48.68454 9.116652  42.51586 10.17406  6.168674       13.66107  
1 1 1 29 22 14 o 111.6056 3.182111  125.7865       5.022312  124.6906       10.04462  126.8825       10.04462  111.1146 4.519938  112.0966 4.480342  -0.9819946     6.364221  
1 1 1 29 22 15 o 136.3290 3.106177  190.4571       5.856187  235.7914       11.71237  145.1229       11.71237  152.9558 3.828681  119.7022 4.892296  33.25353       6.212355  
1 1 1 29 22 16 o 124.4927 3.668413  157.8359       6.451812  166.0317       12.90362  149.6401       12.90362  127.7844 5.048982  121.2011 5.323232  6.583359       7.336826  
1 1 1 29 22 17 f 26.23835 8.224009  -1.424736      6.075377  -3.411741      12.15075  0.5622702      12.15075  25.24245 11.38249  27.23425 11.87334  -1.991806      16.44802  
1 1 1 29 22 18 o 111.5407 4.940621  131.1043       7.752658  116.3899       15.50532  145.8186       15.50532  104.9448 7.387370  118.1367 6.562449  -13.19188      9.881243  
1 1 1 29 23 0  o 97.96659 4.253746  96.61517       8.300633  96.61517       8.300633  96.61517       8.300633  97.96659 4.253746  97.96659 4.253746  0.000000       0.000000  
1 1 1 29 23 1  o 180.4556 1.645218  325.8832       4.197967  332.6257       8.395933  319.1408       8.395933  182.3238 2.302479  178.5874 2.350651  3.736374       3.290436  
1 1 1 29 23 2  o 150.4036 1.694798  227.0762       3.588047  201.8074       7.176094  252.3450       7.176094  142.0033 2.526735  158.8040 2.259419  -16.80067      3.389596  
1 1 1 29 23 3  o 101.3562 2.147823  102.8621       3.078191  100.7607       6.156383  104.9635       6.156383  100.3196 3.068386  102.3928 3.006258  -2.073235      4.295646  
1 1 1 29 23 4  f 122.8941 1.877758  151.2936       3.259262  160.1994       6.518523  142.3878       6.518523  126.5174 2.576136  119.2707 2.732658  7.246719       3.755516  
1 1 1 29 23 5  o 55.48991 4.681552  34.51767       3.054366  14.58090       6.108732  54.45444       6.108732  37.27357 8.396144  73.70624 4.143972  -36.43267      9.363105  
1 1 1 29 23 6  o 149.0614 1.895967  222.7591       3.988307  239.4795       7.976613  206.0387       7.976613  154.6699 2.578592  143.4528 2.780222  11.21710       3.791935  
1 1 1 29 23 7  o 154.8619 1.868088  240.2323       4.088372  250.6391       8.176744  229.8256       8.176744  158.2220 2.583947  151.5019 2.698561  6.720016       3.736176  
1 1 1 29 23 8  o 85.82459 2.830700  73.90994       3.435566  73.04749       6.871132  74.77241       6.871132  85.32214 4.026583  86.32705 3.979710  -1.004913      5.661401  
1 1 1 29 23 9  o 109.6014 2.401289  120.4640       3.721466  118.1339       7.442933  122.7941       7.442933  108.5384 3.428710  110.6644 3.362841  -2.125969      4.802577  
1 1 1 29 23 10 o 167.5383 2.045375  281.7736       4.836477  261.2270       9.672954  302.3203       9.672954  161.4064 2.996460  173.6703 2.784862  -12.26389      4.090749  
1 1 1 29 23 11 o 167.6253 2.166713  282.2406       5.127142  301.6913       10.25428  262.7899       10.25428  173.4271 2.956367  161.8234 3.168356  11.60370       4.333426  
1 1 1 29 23 12 o 104.1259 2.914877  109.2615       4.283737  101.3325       8.567473  117.1905       8.567473  100.3185 4.270136  107.9333 3.968875  -7.614769      5.829754  
1 1 1 29 23 13 o 97.68469 3.331102  97.77785       4.502927  74.83912       9.005854  120.7165       9.005854  85.94350 5.239404  109.4259 4.115047  -23.48240      6.662204  
1 1 1 29 23 14 o 34.11069 8.496314  11.21681       5.160498  14.22830       10.32100  8.205333       10.32100  36.80238 12.11163  31.41900 11.91880  5.383383       16.99263  
1 1 1 29 23 15 f 56.63849 7.464193  36.86205       5.746593  57.45639       11.49319  16.26772       11.49319  74.49614 7.713946  38.78085 12.78091  35.71529       14.92839  
1 1 1 29 23 16 o 86.19957 4.958805  77.55041       5.970548  91.04966       11.94110  64.05116       11.94110  94.02980 6.349633  78.36934 7.618474  15.66046       9.917610  
1 1 1 29 23 17 f 33.43819 8.799414  7.671652       6.375573  20.90883       12.75115  -5.565523      12.75115  42.04177 13.44342  24.83462 11.35752  17.20714       17.59883  
1 1 1 29 23 18 o 48.41476 14.80033  30.18152       15.65780  30.18152       15.65780  ?              ?         48.41476 14.80033  ?        ?         ?              ?         
1 1 1 29 24 0  o 24.60281 12.31426  9.034444       7.338103  9.034444       7.338103  9.034444       7.338103  24.60281 12.31426  24.60281 12.31426  0.000000       0.000000  
1 1 1 29 24 1  o 115.9007 1.877080  134.6828       3.068661  145.8948       6.137322  123.4707       6.137322  120.7376 2.541595  111.0638 2.762972  9.673836       3.754161  
1 1 1 29 24 2  o 226.7496 1.765673  514.9156       5.656057  487.6503       11.31211  542.1810       11.31211  220.7374 2.562347  232.7618 2.429976  -12.02441      3.531346  
1 1 1 29 24 3  o 128.1519 1.960434  165.6600       3.511806  136.7270       7.023612  194.5932       7.023612  116.8633 3.005056  139.4404 2.518499  -22.57719      3.920867  
1 1 1 29 24 4  o 67.55386 3.223022  46.86856       2.968596  61.08732       5.937192  32.64980       5.937192  78.07789 3.802096  57.02985 5.205338  21.04804       6.446043  
1 1 1 29 24 5  o 170.1532 1.924206  290.5984       4.612522  319.8936       9.225043  261.3032       9.225043  178.7617 2.580264  161.5447 2.855261  17.21698       3.848412  
1 1 1 29 24 6  o 203.6137 1.848421  415.0793       5.322507  412.4585       10.64501  417.7000       10.64501  202.9701 2.622311  204.2572 2.605786  -1.287109      3.696841  
1 1 1 29 24 7  o 69.99618 3.689523  49.92292       3.578516  61.33510       7.157033  38.51075       7.157033  78.14818 4.579143  61.84418 5.786343  16.30400       7.379045  
1 1 1 29 24 8  f 127.2868 2.194464  162.3579       3.950187  163.5730       7.900373  161.1428       7.900373  127.7641 3.091782  126.8095 3.115056  0.9545975      4.388928  
1 1 1 29 24 9  f 152.4012 2.060782  233.0229       4.436216  246.1791       8.872433  219.8667       8.872433  156.7174 2.830710  148.0849 2.995726  8.632584       4.121565  
1 1 1 29 24 10 o 173.7822 2.097981  302.8492       5.155732  307.0472       10.31146  298.6513       10.31146  174.9900 2.946301  172.5744 2.987542  2.415649       4.195961  
1 1 1 29 24 11 o 74.79135 3.956133  57.78041       4.045487  41.02666       8.090974  74.53416       8.090974  63.59103 6.361725  85.99167 4.704510  -22.40063      7.912267  
1 1 1 29 24 12 o 19.23867 6.352492  -8.986794      4.369507  -14.10441      8.739014  -3.869182      8.739014  17.02984 8.248640  21.44750 9.663155  -4.417658      12.70498  
1 1 1 29 24 13 o 25.16682 7.507972  0.2716049      4.745942  -4.946072      9.491883  5.489282       9.491883  21.81840 9.922372  28.51524 11.27054  -6.696840      15.01594  
1 1 1 29 24 14 o 63.77749 5.775404  42.09879       5.208147  41.18868       10.41630  43.00891       10.41630  63.06398 8.258513  64.49100 8.075775  -1.427017      11.55081  
1 1 1 29 24 15 o 57.85770 7.276869  36.32838       5.808537  39.50187       11.61707  33.15488       11.61707  61.06631 9.511852  54.64907 11.01526  6.417240       14.55374  
1 1 1 29 24 16 o 108.6432 4.183034  121.3741       6.418458  128.4073       12.83692  114.3410       12.83692  111.8800 5.736912  105.4064 6.089249  6.473618       8.366069  
1 1 1 29 24 17 o 43.63919 8.801214  20.92789       6.866368  39.61623       13.73274  2.239551       13.73274  58.06548 12.21112  29.21291 12.67809  28.85257       17.60243  
1 1 1 29 24 18 o 31.07907 13.34949  6.661473       14.93352  6.661473       14.93352  ?              ?         31.07907 13.34949  ?        ?         ?              ?         
1 1 1 29 25 0  o 103.3136 4.398781  107.4508       9.053504  107.4508       9.053504  107.4508       9.053504  103.3136 4.398781  103.3136 4.398781  0.000000       0.000000  
1 1 1 29 25 1  o 70.98851 2.928230  51.49062       2.854236  65.60455       5.708472  37.37667       5.708472  80.92951 3.526818  61.04751 4.675434  19.88200       5.856460  
1 1 1 29 25 2  o 375.1994 2.283092  1409.950       12.11263  1437.420       24.22527  1382.479       24.22527  378.8601 3.197126  371.5387 3.260128  7.321472       4.566185  
1 1 1 29 25 3  f 76.91867 2.850402  59.41481       3.092486  64.37517       6.184973  54.45444       6.184973  80.14310 3.858706  73.69425 4.196374  6.448845       5.700804  
1 1 1 29 25 4  o 228.2566 1.820592  521.6629       5.875248  536.0818       11.75050  507.2440       11.75050  231.4151 2.538835  225.0981 2.610083  6.316956       3.641183  
1 1 1 29 25 5  f 210.3584 1.898190  443.0833       5.646527  449.3873       11.29305  436.7792       11.29305  211.8568 2.665257  208.8600 2.703499  2.996826       3.796380  
1 1 1 29 25 6  o 138.7375 2.032854  192.8110       3.988307  190.3523       7.976613  195.2698       7.976613  137.8514 2.893192  139.6237 2.856469  -1.772232      4.065707  
1 1 1 29 25 7  o 28.99909 6.600565  7.538233       3.359326  1.982241       6.718653  13.09423       6.718653  22.76081 9.299889  35.23738 9.369201  -12.47657      13.20113  
1 1 1 29 25 8  o 67.66199 3.934383  46.27294       3.750056  41.59846       7.500113  50.94740       7.500113  64.20772 5.840507  71.11626 5.273135  -6.908546      7.868766  
1 1 1 29 25 9  o 69.82234 3.863761  49.33207       3.797706  43.93332       7.595412  54.73081       7.595412  65.95628 5.757915  73.68840 5.153737  -7.732124      7.727522  
1 1 1 29 25 10 f 103.1811 2.886142  107.2316       4.202732  115.1510       8.405463  99.31217       8.405463  107.0188 3.927098  99.34350 4.230505  7.675278       5.772285  
1 1 1 29 25 11 o 64.51953 4.711631  43.40440       4.126492  29.67643       8.252983  57.13237       8.252983  53.88092 7.658540  75.15815 5.490411  -21.27723      9.423262  
1 1 1 29 25 12 o 35.49278 6.926102  10.26858       4.726882  -6.118262      9.453763  26.65542       9.453763  21.23156 9.738780  49.75399 9.850875  -28.52243      13.85220  
1 1 1 29 25 13 o 48.40124 6.343532  26.48388       4.836477  0.3240202      9.672954  52.64375       9.672954  25.03857 10.74903  71.76392 6.739427  -46.72535      12.68706  
1 1 1 29 25 14 o 179.1586 2.568255  323.4007       6.504228  312.2887       13.00846  334.5127       13.00846  176.0575 3.694378  182.2598 3.568658  -6.202332      5.136511  
1 1 1 29 25 15 o 39.92536 9.467129  17.50662       6.308862  18.71693       12.61772  16.29631       12.61772  40.96079 13.39160  38.88993 13.38548  2.070862       18.93426  
1 1 1 29 25 16 o 27.99755 8.633830  0.3716703      6.489933  3.564222       12.97987  -2.820881      12.97987  29.63171 12.57687  26.36338 11.83192  3.268330       17.26766  
1 1 1 29 25 17 o 95.58968 5.495787  97.18221       7.423873  101.2658       14.84775  93.09861       14.84775  97.72569 7.596645  93.45368 7.943907  4.272003       10.99157  
1 1 1 29 26 0  o 289.8583 3.795597  841.5565       21.99525  841.5565       21.99525  841.5565       21.99525  289.8583 3.795597  289.8583 3.795597  0.000000       0.000000  
1 1 1 29 26 1  o 69.50186 3.129076  49.17482       3.006716  37.31949       6.013433  61.03015       6.013433  60.97308 4.931219  78.03065 3.853251  -17.05757      6.258152  
1 1 1 29 26 2  o 113.3666 2.195198  129.2507       3.497512  145.8376       6.995024  112.6637       6.995024  120.6823 2.898116  106.0510 3.297953  14.63127       4.390395  
1 1 1 29 26 3  o 99.02748 2.290869  98.26387       3.206846  101.6375       6.413693  94.89025       6.413693  100.7309 3.183579  97.32410 3.295018  3.406746       4.581738  
1 1 1 29 26 4  o 218.0204 1.822944  477.1245       5.598877  525.4559       11.19775  428.7930       11.19775  229.1046 2.443809  206.9363 2.705604  22.16830       3.645888  
1 1 1 29 26 5  o 118.9712 2.293658  142.8786       3.816766  167.1372       7.633533  118.6200       7.633533  129.1663 2.954924  108.7760 3.508831  20.39034       4.587317  
1 1 1 29 26 6  o 143.5572 2.145255  206.6391       4.350447  217.8845       8.700893  195.3937       8.700893  147.4739 2.949978  139.6405 3.115462  7.833389       4.290509  
1 1 1 29 26 7  f 102.1682 2.560426  104.9349       3.688112  114.3982       7.376224  95.47158       7.376224  106.7994 3.453306  97.53698 3.781245  9.262466       5.120853  
1 1 1 29 26 8  o 52.62599 5.258238  28.33747       3.873947  23.78689       7.747893  32.88805       7.747893  48.30249 8.020181  56.94950 6.802424  -8.647007      10.51648  
1 1 1 29 26 9  o 62.82128 4.704939  40.11179       4.169377  36.86205       8.338754  43.36152       8.338754  60.23479 6.921875  65.40777 6.374437  -5.172981      9.409878  
1 1 1 29 26 10 o 157.5985 2.333792  249.4526       5.198617  259.0160       10.39723  239.8893       10.39723  160.6326 3.236340  154.5644 3.363398  6.068161       4.667584  
1 1 1 29 26 11 o 79.08476 3.962219  63.31258       4.431452  63.24110       8.862904  63.38405       8.862904  79.03957 5.606624  79.12995 5.600221  -0.9037781E-01 7.924438  
1 1 1 29 26 12 o 36.12856 7.356866  13.44207       4.369507  4.917482       8.739014  21.96666       8.739014  27.31059 10.80804  44.94654 9.984000  -17.63595      14.71373  
1 1 1 29 26 13 o 146.1712 2.750047  215.3304       5.684648  217.2650       11.36929  213.3958       11.36929  146.8329 3.871507  145.5094 3.906721  1.323532       5.500094  
1 1 1 29 26 14 o 102.2496 3.919625  107.0410       5.627467  92.60305       11.25493  121.4790       11.25493  95.18950 5.911857  109.3098 5.148182  -14.12030      7.839249  
1 1 1 29 26 15 o 98.78745 4.447647  101.2229       6.146852  84.66455       12.29370  117.7813       12.29370  90.40664 6.799116  107.1683 5.735703  -16.76163      8.895294  
1 1 1 29 26 16 o 85.29806 6.123642  79.78996       6.995024  52.13865       13.99005  107.4413       13.99005  69.08942 10.12459  101.5067 6.891194  -32.41728      12.24728  
1 1 1 29 26 17 o 72.67647 7.793572  60.53935       7.700243  50.09923       15.40049  70.97946       15.40049  65.01174 12.29218  80.34119 9.584428  -15.32944      15.58714  
1 1 1 29 27 0  o 77.24127 5.929578  60.88720       9.053504  60.88720       9.053504  60.88720       9.053504  77.24127 5.929578  77.24127 5.929578  0.000000       0.000000  
1 1 1 29 27 1  o 137.1828 1.893452  188.7370       3.664287  173.4175       7.328573  204.0564       7.328573  131.5992 2.784429  142.7664 2.566631  -11.16721      3.786903  
1 1 1 29 27 2  o 286.5021 1.926875  822.0914       7.805074  844.3107       15.61015  799.8723       15.61015  290.3798 2.687885  282.6245 2.761641  7.755341       3.853750  
1 1 1 29 27 3  o 115.7142 2.184477  134.1729       3.573751  130.4657       7.147503  137.8801       7.147503  114.1124 3.131783  117.3161 3.046258  -3.203720      4.368953  
1 1 1 29 27 4  o 22.22824 6.187514  0.7242802      3.206846  -5.470222      6.413693  6.918783       6.413693  17.01568 7.889801  27.44079 9.533749  -10.42511      12.37503  
1 1 1 29 27 5  o 136.9099 2.257644  188.0317       4.364742  199.8442       8.729484  176.2193       8.729484  141.2239 3.090654  132.5960 3.291760  8.627884       4.515288  
1 1 1 29 27 6  o 37.36073 7.014048  14.80009       3.778647  13.47543       7.557293  16.12477       7.557293  35.77056 10.11354  38.95089 9.721309  -3.180332      14.02810  
1 1 1 29 27 7  o 71.67994 4.126641  52.90105       4.059782  38.40591       8.119563  67.39619       8.119563  61.56893 6.593881  81.79095 4.963607  -20.22203      8.253282  
1 1 1 29 27 8  f 44.71912 6.325202  21.90471       3.983541  9.406114       7.967083  34.40331       7.967083  31.20642 10.64123  58.23183 6.840833  -27.02541      12.65040  
1 1 1 29 27 9  o 67.18527 4.575669  45.84885       4.340917  42.97079       8.681833  48.72691       8.681833  65.04339 6.673878  69.32715 6.261497  -4.283760      9.151339  
1 1 1 29 27 10 o 222.1777 2.199497  495.5125       6.909253  508.2160       13.81851  482.8091       13.81851  225.0366 3.070280  219.3189 3.150323  5.717712       4.398994  
1 1 1 29 27 11 o 113.0236 3.094307  129.2936       4.922247  143.7410       9.844495  114.8461       9.844495  119.4150 4.121967  106.6323 4.616096  12.78273       6.188614  
1 1 1 29 27 12 o 24.52608 7.532386  -0.8624654     4.898422  1.343731       9.796844  -3.068661      9.796844  25.84499 10.94585  23.20718 10.35063  2.637815       15.06477  
1 1 1 29 27 13 o 102.5650 3.876474  106.9552       5.617938  111.9966       11.23588  101.9139       11.23588  105.0226 5.349264  100.1073 5.611914  4.915298       7.752948  
1 1 1 29 27 14 o 117.1279 3.685553  140.1340       6.070612  156.9401       12.14122  123.3278       12.14122  124.3022 4.883753  109.9537 5.521065  14.34856       7.371106  
1 1 1 29 27 15 o 79.72999 5.760817  66.94351       6.480402  71.97059       12.96080  61.91644       12.96080  82.88255 7.818778  76.57742 8.462550  6.305130       11.52163  
1 1 1 29 27 16 o 56.29046 8.879553  37.91988       7.152268  25.84537       14.30454  49.99440       14.30454  45.63092 14.18659  66.95000 10.68300  -21.31907      17.75911  
1 1 1 29 27 17 o 57.04224 9.829848  42.94696       7.876549  39.27314       15.75310  46.62078       15.75310  54.00425 14.34068  60.08022 13.44799  -6.075974      19.65970  
1 1 1 29 28 0  o 91.91794 5.256185  85.55085       9.596713  85.55085       9.596713  85.55085       9.596713  91.91794 5.256185  91.91794 5.256185  0.000000       0.000000  
1 1 1 29 28 1  o 127.2823 2.057335  163.1489       3.673816  186.7881       7.347633  139.5097       7.347633  136.5684 2.690093  117.9961 3.113506  18.57227       4.114671  
1 1 1 29 28 2  o 113.2956 2.311457  129.4413       3.669051  109.1852       7.338103  149.6973       7.338103  104.3561 3.515895  122.2350 3.001637  -17.87892      4.622914  
1 1 1 29 28 3  o 51.18114 5.059243  27.19863       3.487981  33.60279       6.975962  20.79447       6.975962  57.74624 6.040187  44.61605 8.117875  13.13019       10.11849  
1 1 1 29 28 4  o 183.7145 1.903989  338.0722       4.946072  331.4535       9.892144  344.6907       9.892144  181.9132 2.718919  185.5159 2.666118  -3.602646      3.807979  
1 1 1 29 28 5  o 224.5629 1.957827  505.4857       6.213562  526.6376       12.42712  484.3339       12.42712  229.2724 2.710122  219.8533 2.826231  9.419113       3.915653  
1 1 1 29 28 6  o 102.5070 2.897795  107.3174       4.097902  80.32840       8.195804  134.3064       8.195804  89.34258 4.586729  115.6715 3.542707  -26.32890      5.795589  
1 1 1 29 28 7  o 207.7882 2.029696  433.0005       5.961017  449.7971       11.92203  416.2039       11.92203  211.8299 2.814058  203.7464 2.925704  8.083527       4.059393  
1 1 1 29 28 8  o 181.9026 2.167572  332.3922       5.565523  355.8885       11.13105  308.8960       11.13105  188.3610 2.954710  175.4441 3.172248  12.91693       4.335144  
1 1 1 29 28 9  o 79.25483 4.159201  66.44319       4.345681  39.37798       8.691362  93.50840       8.691362  62.18003 6.988871  96.32963 4.511261  -34.14960      8.318401  
1 1 1 29 28 10 o 60.50170 5.441761  37.54821       4.645877  40.35004       9.291754  34.74640       9.291754  62.81719 7.395868  58.18621 7.984498  4.630978       10.88352  
1 1 1 29 28 11 o 35.18008 7.404963  10.92615       4.817417  -2.106131      9.634833  23.95843       9.634833  23.53416 10.40176  46.82598 10.54216  -23.29182      14.80993  
1 1 1 29 28 12 o 36.38449 8.249146  13.35630       5.117613  20.51810       10.23522  6.194502       10.23522  43.06145 11.61627  29.70754 11.71563  13.35392       16.49829  
1 1 1 29 28 13 o 47.51686 8.253114  25.36411       5.513107  25.88349       11.02621  24.84472       11.02621  48.03302 11.59319  47.00070 11.74962  1.032322       16.50623  
1 1 1 29 28 14 o 114.3905 4.052061  134.5589       6.508993  116.6091       13.01799  152.5087       13.01799  106.5447 6.109169  122.2363 5.324926  -15.69166      8.104121  
1 1 1 29 28 15 o 27.55323 8.588387  -0.3907302     6.547113  -2.439681      13.09423  1.658221       13.09423  26.54233 11.89876  28.56413 12.38794  -2.021799      17.17677  
1 1 1 29 28 16 o 31.18544 13.34340  4.822182       14.81916  4.822182       14.81916  ?              ?         31.18544 13.34340  ?        ?         ?              ?         
1 1 1 29 29 0  o 155.5056 5.496869  243.1104       17.04918  243.1104       17.04918  243.1104       17.04918  155.5056 5.496869  155.5056 5.496869  0.000000       0.000000  
1 1 1 29 29 1  o 96.23144 5.433522  93.77524       10.38770  93.77524       10.38770  93.77524       10.38770  96.23144 5.433522  96.23144 5.433522  0.000000       0.000000  
1 1 1 29 29 2  o 26.29413 13.93610  10.30193       9.739664  10.30193       9.739664  10.30193       9.739664  26.29413 13.93610  26.29413 13.93610  0.000000       0.000000  
1 1 1 29 29 3  o 26.49459 14.23620  10.41630       10.27334  10.41630       10.27334  10.41630       10.27334  26.49459 14.23620  26.49459 14.23620  0.000000       0.000000  
1 1 1 29 29 4  o 17.44599 11.52424  -1.105480      9.977913  -1.105480      9.977913  -1.105480      9.977913  17.44599 11.52424  17.44599 11.52424  0.000000       0.000000  
1 1 1 29 29 5  o 261.9510 4.211701  688.5618       22.05243  688.5618       22.05243  688.5618       22.05243  261.9510 4.211701  261.9510 4.211701  0.000000       0.000000  
1 1 1 29 29 6  o 50.35790 13.29450  30.58178       11.54083  30.58178       11.54083  30.58178       11.54083  50.35790 13.29450  50.35790 13.29450  0.000000       0.000000  
1 1 1 29 29 7  o 61.29456 10.99906  41.38881       12.26511  41.38881       12.26511  41.38881       12.26511  61.29456 10.99906  61.29456 10.99906  0.000000       0.000000  
1 1 1 29 29 8  o 101.7099 6.673791  105.6210       13.45637  105.6210       13.45637  105.6210       13.45637  101.7099 6.673791  101.7099 6.673791  0.000000       0.000000  
1 1 1 29 29 9  o 142.5303 5.089078  204.9332       14.46655  204.9332       14.46655  204.9332       14.46655  142.5303 5.089078  142.5303 5.089078  0.000000       0.000000  
1 1 1 29 29 10 o 37.28911 17.28708  21.60452       14.16159  21.60452       14.16159  21.60452       14.16159  37.28911 17.28708  37.28911 17.28708  0.000000       0.000000  
1 1 1 29 29 11 o 80.76098 8.821978  68.73039       13.95192  68.73039       13.95192  68.73039       13.95192  80.76098 8.821978  80.76098 8.821978  0.000000       0.000000  
1 1 1 29 29 12 o 23.92959 15.21072  4.021661       15.45767  4.021661       15.45767  4.021661       15.45767  23.92959 15.21072  23.92959 15.21072  0.000000       0.000000  
1 1 1 29 29 13 o 40.52232 18.46473  26.05503       16.12477  26.05503       16.12477  26.05503       16.12477  40.52232 18.46473  40.52232 18.46473  0.000000       0.000000  
1 1 1 29 29 14 o 31.56417 18.59457  15.50532       19.60322  15.50532       19.60322  15.50532       19.60322  31.56417 18.59457  31.56417 18.59457  0.000000       0.000000  
1 1 1 29 29 15 o 31.83648 18.88643  16.49644       20.46092  16.49644       20.46092  16.49644       20.46092  31.83648 18.88643  31.83648 18.88643  0.000000       0.000000  
1 1 1 30 0  0  o 354.0078 5.920789  1254.901       41.89390  1254.901       41.89390  1254.901       41.89390  354.0078 5.920789  354.0078 5.920789  0.000000       0.000000  
1 1 1 30 0  1  o 240.1088 3.271846  577.0227       15.70545  577.0227       15.70545  577.0227       15.70545  240.1088 3.271846  240.1088 3.271846  0.000000       0.000000  
1 1 1 30 0  2  o 82.83887 3.150584  68.94006       5.203382  68.94006       5.203382  68.94006       5.203382  82.83887 3.150584  82.83887 3.150584  0.000000       0.000000  
1 1 1 30 0  3  o 400.6341 4.461360  1606.663       35.73751  1606.663       35.73751  1606.663       35.73751  400.6341 4.461360  400.6341 4.461360  0.000000       0.000000  
1 1 1 30 0  4  o 277.5663 3.716448  771.2156       20.62293  771.2156       20.62293  771.2156       20.62293  277.5663 3.716448  277.5663 3.716448  0.000000       0.000000  
1 1 1 30 0  5  f 57.56479 5.290392  34.00305       5.994372  34.00305       5.994372  34.00305       5.994372  57.56479 5.290392  57.56479 5.290392  0.000000       0.000000  
1 1 1 30 0  6  o 163.6367 3.585515  268.2887       11.72190  268.2887       11.72190  268.2887       11.72190  163.6367 3.585515  163.6367 3.585515  0.000000       0.000000  
1 1 1 30 0  7  o 308.6350 4.423752  953.8867       27.29393  953.8867       27.29393  953.8867       27.29393  308.6350 4.423752  308.6350 4.423752  0.000000       0.000000  
1 1 1 30 0  8  o 114.4765 4.019254  131.6189       9.177394  131.6189       9.177394  131.6189       9.177394  114.4765 4.019254  114.4765 4.019254  0.000000       0.000000  
1 1 1 30 0  9  o 68.23128 6.455310  47.88827       8.662774  47.88827       8.662774  47.88827       8.662774  68.23128 6.455310  68.23128 6.455310  0.000000       0.000000  
1 1 1 30 0  10 o 29.77920 13.31375  12.91316       8.376874  12.91316       8.376874  12.91316       8.376874  29.77920 13.31375  29.77920 13.31375  0.000000       0.000000  
1 1 1 30 0  11 o 205.7936 3.916236  424.3806       16.10571  424.3806       16.10571  424.3806       16.10571  205.7936 3.916236  205.7936 3.916236  0.000000       0.000000  
1 1 1 30 0  12 o 188.0856 4.436438  354.8973       16.66798  354.8973       16.66798  354.8973       16.66798  188.0856 4.436438  188.0856 4.436438  0.000000       0.000000  
1 1 1 30 0  13 o 109.0127 3.984906  119.5063       8.662774  119.5063       8.662774  119.5063       8.662774  109.0127 3.984906  109.0127 3.984906  0.000000       0.000000  
1 1 1 30 0  14 o 27.09131 13.25358  11.08340       8.424523  11.08340       8.424523  11.08340       8.424523  27.09131 13.25358  27.09131 13.25358  0.000000       0.000000  
1 1 1 30 0  15 o 105.3689 5.016822  112.2444       10.52112  112.2444       10.52112  112.2444       10.52112  105.3689 5.016822  105.3689 5.016822  0.000000       0.000000  
1 1 1 30 0  16 o 21.95180 13.33803  5.222442       10.68313  5.222442       10.68313  5.222442       10.68313  21.95180 13.33803  21.95180 13.33803  0.000000       0.000000  
1 1 1 30 0  17 o 51.80114 15.01624  33.90775       13.48496  33.90775       13.48496  33.90775       13.48496  51.80114 15.01624  51.80114 15.01624  0.000000       0.000000  
1 1 1 30 0  18 o 36.62190 18.04798  21.47110       15.66733  21.47110       15.66733  21.47110       15.66733  36.62190 18.04798  36.62190 18.04798  0.000000       0.000000  
1 1 1 30 0  19 o 77.68750 10.17500  63.57465       15.76263  63.57465       15.76263  63.57465       15.76263  77.68750 10.17500  77.68750 10.17500  0.000000       0.000000  
1 1 1 30 0  20 o 29.74018 18.37675  12.17935       20.99460  12.17935       20.99460  12.17935       20.99460  29.74018 18.37675  29.74018 18.37675  0.000000       0.000000  
1 1 1 30 1  0  o 337.2607 3.943072  1138.426       26.58871  1138.426       26.58871  1138.426       26.58871  337.2607 3.943072  337.2607 3.943072  0.000000       0.000000  
1 1 1 30 1  1  o 255.1230 1.593170  651.1852       5.746593  668.5775       11.49319  633.7929       11.49319  258.5316 2.222782  251.7143 2.282982  6.817215       3.186340  
1 1 1 30 1  2  o 239.2419 1.477553  573.2917       4.988957  531.0880       9.977913  615.4953       9.977913  230.4217 2.165142  248.0622 2.011172  -17.64053      2.955106  
1 1 1 30 1  3  o 180.5454 1.317235  326.2930       3.359326  344.5764       6.718653  308.0097       6.718653  185.6088 1.809896  175.4821 1.914342  10.12672       2.634469  
1 1 1 30 1  4  o 136.4000 1.606297  186.7404       3.082956  165.1836       6.165912  208.2973       6.165912  128.4979 2.399227  144.3020 2.136461  -15.80415      3.212593  
1 1 1 30 1  5  o 136.7813 1.717943  187.2455       3.321206  179.8502       6.642413  194.6408       6.642413  134.0780 2.477071  139.4846 2.381056  -5.406647      3.435885  
1 1 1 30 1  6  f 378.3577 2.621468  1434.609       14.00434  1340.795       28.00868  1528.422       28.00868  365.9603 3.826738  390.7552 3.583917  -24.79489      5.242936  
1 1 1 30 1  7  o 246.4310 2.038815  609.3580       7.076028  545.5546       14.15206  673.1614       14.15206  233.4855 3.030607  259.3765 2.728092  -25.89099      4.077630  
1 1 1 30 1  8  o 120.3408 2.033010  144.9323       3.459391  147.8866       6.918783  141.9780       6.918783  121.5683 2.845636  119.1134 2.904285  2.454941       4.066019  
1 1 1 30 1  9  o 303.2800 2.323462  920.8891       9.963620  940.9163       19.92724  900.8618       19.92724  306.5818 3.249906  299.9783 3.321447  6.603546       4.646924  
1 1 1 30 1  10 o 104.9043 2.498034  110.2526       3.702406  104.6490       7.404812  115.8563       7.404812  102.2334 3.621522  107.5751 3.441694  -5.341667      4.996067  
1 1 1 30 1  11 o 153.6060 2.326913  236.5394       5.046137  220.5910       10.09227  252.4879       10.09227  148.4146 3.400027  158.7973 3.177722  -10.38271      4.653826  
1 1 1 30 1  12 o 91.46450 3.409197  85.19346       4.312327  64.79450       8.624654  105.5924       8.624654  80.31319 5.369388  102.6158 4.202400  -22.30261      6.818394  
1 1 1 30 1  13 o 47.14853 3.843603  22.91013       2.468271  29.93374       4.936542  15.88652       4.936542  54.59692 4.520897  39.70014 6.217285  14.89678       7.687207  
1 1 1 30 1  14 o 78.59947 3.397875  62.24522       3.769116  66.84344       7.538233  57.64700       7.538233  81.52457 4.623289  75.67437 4.980704  5.850197       6.795750  
1 1 1 30 1  15 o 87.94876 2.608102  77.91254       3.230671  69.83587       6.461343  85.98922       6.461343  83.35707 3.875702  92.54046 3.491091  -9.183388      5.216203  
1 1 1 30 1  16 o 28.55879 6.542526  5.127142       3.778647  -5.546463      7.557293  15.80075       7.557293  18.78355 8.653816  38.33402 9.814787  -19.55046      13.08505  
1 1 1 30 1  17 o 43.62788 7.265683  20.83735       4.440981  16.78234       8.881963  24.89237       8.881963  39.19630 10.92621  48.05947 9.580109  -8.863171      14.53137  
1 1 1 30 1  18 o 22.82228 7.284938  -4.207497      5.003252  -3.478451      10.00650  -4.936542      10.00650  23.18952 10.39855  22.45503 10.20547  0.7344971      14.56988  
1 1 1 30 1  19 o 95.41698 4.270751  93.45122       5.751357  86.78021       11.50271  100.1222       11.50271  91.92126 6.256830  98.91270 5.814579  -6.991432      8.541502  
1 1 1 30 1  20 o 37.40099 9.718605  15.08600       6.752007  14.59044       13.50401  15.58156       13.50401  37.02773 13.72636  37.77424 13.76199  -0.7465057     19.43721  
1 1 1 30 1  21 o 58.42896 8.363684  41.22680       6.671002  44.30499       13.34200  38.14860       13.34200  61.07566 11.34714  55.78226 12.29013  5.293396       16.72737  
1 1 1 30 2  0  o 245.1797 3.178777  601.6101       15.58156  601.6101       15.58156  601.6101       15.58156  245.1797 3.178777  245.1797 3.178777  0.000000       0.000000  
1 1 1 30 2  1  o 247.5786 1.515004  613.1938       5.303447  599.3134       10.60689  627.0742       10.60689  244.7753 2.166660  250.3818 2.118144  -5.606491      3.030008  
1 1 1 30 2  2  o 80.39980 1.342717  64.70872       1.524801  60.98249       3.049601  68.43496       3.049601  78.08248 1.952808  82.71710 1.843392  -4.634621      2.685433  
1 1 1 30 2  3  o 291.2385 1.717810  849.2091       7.066498  897.8122       14.13300  800.6061       14.13300  299.5827 2.358780  282.8943 2.497928  16.68839       3.435621  
1 1 1 30 2  4  o 303.8140 2.086275  925.2920       8.939144  846.1214       17.87829  1004.462       17.87829  290.7846 3.074147  316.8435 2.821312  -26.05887      4.172551  
1 1 1 30 2  5  o 48.27128 3.449038  23.72494       2.296731  17.73534       4.593462  29.71455       4.593462  42.06717 5.459675  54.47539 4.216089  -12.40822      6.898077  
1 1 1 30 2  6  o 383.1506 2.514280  1469.884       13.61837  1422.058       27.23675  1517.710       27.23675  376.9095 3.613169  389.3918 3.497345  -12.48236      5.028560  
1 1 1 30 2  7  o 183.5467 1.709263  337.0810       4.436216  343.4327       8.872433  330.7292       8.872433  185.2770 2.394370  181.8165 2.439942  3.460571       3.418527  
1 1 1 30 2  8  o 99.47662 2.258631  99.12156       3.173491  93.40356       6.346982  104.8396       6.346982  96.60257 3.285100  102.3507 3.100606  -5.748093      4.517261  
1 1 1 30 2  9  o 232.8303 2.197161  542.9291       7.228508  517.1743       14.45702  568.6839       14.45702  227.2994 3.180170  238.3611 3.032588  -11.06163      4.394322  
1 1 1 30 2  10 o 147.2507 1.947254  216.9887       4.055017  216.1881       8.110033  217.7892       8.110033  146.9788 2.758912  147.5225 2.748745  -0.5436401     3.894508  
1 1 1 30 2  11 o 103.8335 2.650288  108.6849       3.854887  125.8532       7.709774  91.51662       7.709774  112.1008 3.438770  95.56631 4.033730  16.53445       5.300577  
1 1 1 30 2  12 o 114.4819 2.796444  131.4902       4.521987  138.9570       9.043974  124.0235       9.043974  117.7430 3.840556  111.2208 4.065774  6.522209       5.592887  
1 1 1 30 2  13 o 189.5812 1.840634  360.2961       4.927012  383.7542       9.854024  336.8380       9.854024  195.7680 2.516761  183.3943 2.686567  12.37366       3.681267  
1 1 1 30 2  14 o 52.26676 4.430577  27.69419       3.259262  30.78192       6.518523  24.60647       6.518523  55.22057 5.902259  49.31295 6.609342  5.907619       8.861155  
1 1 1 30 2  15 o 126.1264 2.359380  159.7038       4.207497  163.5444       8.414993  155.8632       8.414993  127.6489 3.296149  124.6038 3.376699  3.045036       4.718760  
1 1 1 30 2  16 o 58.70474 5.309469  36.44273       4.121727  25.25451       8.243454  47.63096       8.243454  48.85998 8.752622  68.54951 6.012774  -19.68953      10.61894  
1 1 1 30 2  17 o 78.78616 4.773373  64.63248       5.160498  82.20581       10.32100  47.05915       10.32100  89.93871 5.737793  67.63361 7.630078  22.30510       9.546745  
1 1 1 30 2  18 o 68.75415 5.267287  48.76027       5.108082  44.80055       10.21616  52.71999       10.21616  65.87453 7.754259  71.63377 7.130829  -5.759239      10.53457  
1 1 1 30 2  19 o 86.15639 5.203132  77.08344       6.332687  81.10986       12.66537  73.05701       12.66537  88.49308 7.156139  83.81969 7.555131  4.673386       10.40626  
1 1 1 30 2  20 o 68.31918 6.667958  51.48584       6.108732  39.13973       12.21746  63.83197       12.21746  58.87765 10.77650  77.76072 7.855807  -18.88307      13.33592  
1 1 1 30 2  21 o 21.91888 10.59707  -16.53456      14.17112  -16.53456      14.17112  ?              ?         21.91888 10.59707  ?        ?         ?              ?         
1 1 1 30 3  0  o 134.2334 2.369357  180.3839       6.356512  180.3839       6.356512  180.3839       6.356512  134.2334 2.369357  134.2334 2.369357  0.000000       0.000000  
1 1 1 30 3  1  o 151.0182 1.203747  228.2531       2.568336  239.9369       5.136672  216.5694       5.136672  154.8865 1.658205  147.1498 1.745388  7.736679       2.407494  
1 1 1 30 3  2  o 336.6902 1.990815  1135.795       9.458529  1049.101       18.91706  1222.490       18.91706  323.8157 2.920960  349.5648 2.705802  -25.74902      3.981629  
1 1 1 30 3  3  o 340.4121 1.993552  1159.439       9.596713  1173.792       19.19343  1145.087       19.19343  342.5202 2.801795  338.3041 2.836712  4.216125       3.987103  
1 1 1 30 3  4  o 285.1782 2.050370  813.8813       8.267279  793.6396       16.53456  834.1231       16.53456  281.6292 2.935519  288.7271 2.863353  -7.097931      4.100739  
1 1 1 30 3  5  o 199.0830 1.636613  396.5005       4.607757  398.8402       9.215513  394.1610       9.215513  199.6706 2.307679  198.4954 2.321342  1.175201       3.273226  
1 1 1 30 3  6  o 322.6002 2.280020  1042.516       10.38770  1105.614       20.77541  979.4176       20.77541  332.3798 3.125251  312.8206 3.320659  19.55927       4.560041  
1 1 1 30 3  7  o 139.7764 1.762955  198.9483       3.392681  146.7811       6.785362  251.1156       6.785362  121.1154 2.801197  158.4373 2.141340  -37.32191      3.525909  
1 1 1 30 3  8  o 463.2236 3.021533  2149.035       19.79382  2139.305       39.58764  2158.765       39.58764  462.1733 4.282770  464.2739 4.263393  -2.100555      6.043065  
1 1 1 30 3  9  o 113.9979 2.181270  130.0798       3.516572  130.5039       7.033143  129.6557       7.033143  114.1839 3.079744  113.8119 3.089811  0.3720093      4.362540  
1 1 1 30 3  10 o 151.4627 1.965525  229.6826       4.207497  220.2479       8.414993  239.1173       8.414993  148.3482 2.836231  154.5773 2.721938  -6.229065      3.931050  
1 1 1 30 3  11 o 209.0975 2.093945  438.4755       6.175443  475.3852       12.35089  401.5658       12.35089  217.9234 2.833767  200.2715 3.083535  17.65190       4.187891  
1 1 1 30 3  12 o 56.61376 4.114770  32.23524       3.292616  33.46938       6.585233  31.00110       6.585233  57.70372 5.706072  55.52380 5.930099  2.179920       8.229540  
1 1 1 30 3  13 o 241.2542 1.881179  583.1743       6.413693  557.7054       12.82739  608.6432       12.82739  235.9758 2.717946  246.5327 2.601559  -10.55690      3.762358  
1 1 1 30 3  14 o 31.74542 4.792023  8.462644       2.949536  23.14838       5.899073  -6.223093      5.899073  47.86079 6.162741  15.63006 7.339928  32.23073       9.584045  
1 1 1 30 3  15 f 113.6143 2.465079  130.7755       3.907302  155.3295       7.814603  106.2214       7.814603  124.4202 3.140408  102.8085 3.800565  21.61175       4.930157  
1 1 1 30 3  16 o 20.83796 6.382510  -2.873296      3.716702  -9.244103      7.433403  3.497512       7.433403  16.83549 8.028041  24.84042 9.924528  -8.004921      12.76502  
1 1 1 30 3  17 o 87.54173 3.554782  77.77913       4.383801  85.58897       8.767603  69.96929       8.767603  92.00237 4.764880  83.08109 5.276534  8.921280       7.109563  
1 1 1 30 3  18 o 34.58661 7.938210  11.63613       4.822182  4.021661       9.644363  19.25061       9.644363  27.45080 11.16693  41.72242 11.28541  -14.27162      15.87642  
1 1 1 30 3  19 o 23.38467 7.751822  -10.80702      6.489933  -13.18000      12.97987  -8.434053      12.97987  22.53327 10.68620  24.23608 11.23246  -1.702808      15.50364  
1 1 1 30 3  20 o 42.69607 9.241994  19.95583       7.037908  35.48021       14.07582  4.431452       14.07582  54.57909 13.05189  30.81304 13.08839  23.76605       18.48399  
1 1 1 30 3  21 o 29.51704 12.96330  3.430801       14.70480  3.430801       14.70480  ?              ?         29.51704 12.96330  ?        ?         ?              ?         
1 1 1 30 4  0  o 148.9388 3.475447  222.2683       10.34005  222.2683       10.34005  222.2683       10.34005  148.9388 3.475447  148.9388 3.475447  0.000000       0.000000  
1 1 1 30 4  1  f 369.8749 2.152817  1370.858       11.23588  1265.279       22.47175  1476.436       22.47175  355.6028 3.159670  384.1471 2.924889  -28.54428      4.305634  
1 1 1 30 4  2  o 300.8333 1.733588  906.0508       7.366693  855.2035       14.73339  956.8982       14.73339  292.3821 2.519543  309.2843 2.381851  -16.90219      3.467176  
1 1 1 30 4  3  o 338.7315 1.965600  1148.003       9.415645  1159.296       18.83129  1136.710       18.83129  340.3985 2.766065  337.0646 2.793424  3.333923       3.931200  
1 1 1 30 4  4  o 169.8053 1.574703  288.5876       3.778647  301.5389       7.557293  275.6363       7.557293  173.6189 2.176403  165.9918 2.276406  7.627136       3.149405  
1 1 1 30 4  5  f 156.0942 1.506361  244.6352       3.306911  215.0159       6.613823  274.2545       6.613823  146.6066 2.255636  165.5818 1.997146  -18.97523      3.012721  
1 1 1 30 4  6  o 131.3721 1.654790  172.6980       3.073426  177.7251       6.146852  167.6709       6.146852  133.2854 2.305899  129.4588 2.374058  3.826599       3.309580  
1 1 1 30 4  7  o 129.5350 1.899157  167.9091       3.478451  164.2592       6.956903  171.5591       6.956903  128.1261 2.714865  130.9439 2.656445  -2.817764      3.798315  
1 1 1 30 4  8  o 379.2848 2.645508  1440.279       14.19018  1435.476       28.38035  1445.082       28.38035  378.6516 3.747555  379.9180 3.735063  -1.266388      5.291017  
1 1 1 30 4  9  o 162.1969 1.928347  263.7047       4.412392  285.0138       8.824783  242.3957       8.824783  168.7658 2.614506  155.6280 2.835217  13.13779       3.856694  
1 1 1 30 4  10 o 82.58618 2.942368  68.71610       3.406976  58.37127       6.813953  79.06091       6.813953  76.32314 4.463884  88.84923 3.834559  -12.52609      5.884736  
1 1 1 30 4  11 o 69.85201 3.825398  49.13670       3.759587  43.42823       7.519173  54.84517       7.519173  65.76588 5.716621  73.93813 5.084774  -8.172249      7.650796  
1 1 1 30 4  12 o 111.6872 2.254504  125.2004       3.549927  136.5554       7.099854  113.8454       7.099854  116.7706 3.040087  106.6038 3.330020  10.16679       4.509008  
1 1 1 30 4  13 o 111.2591 1.862884  123.9853       2.930476  127.0254       5.860952  120.9453       5.860952  112.6253 2.601969  109.8929 2.666666  2.732430       3.725768  
1 1 1 30 4  14 o 117.9218 2.466958  139.5812       4.112197  144.4177       8.224394  134.7447       8.224394  119.9725 3.427615  115.8711 3.548941  4.101433       4.933916  
1 1 1 30 4  15 o 86.07230 2.836989  74.54845       3.449862  70.72216       6.899723  78.37476       6.899723  83.84958 4.114346  88.29503 3.907198  -4.445450      5.673979  
1 1 1 30 4  16 o 37.42985 7.130655  15.04788       3.859652  15.57203       7.719304  14.52373       7.719304  38.05240 10.00853  36.80729 10.15945  1.245110       14.26131  
1 1 1 30 4  17 o 42.38433 6.986497  18.55968       4.984192  1.667751       9.968384  35.45161       9.968384  26.25508 11.07647  58.51359 8.518008  -32.25851      13.97299  
1 1 1 30 4  18 o 119.1708 3.553106  144.0412       5.984842  149.4972       11.96968  138.5853       11.96968  121.4599 4.927421  116.8817 5.120427  4.578239       7.106212  
1 1 1 30 4  19 o 42.59681 8.730839  19.70805       6.294568  33.31689       12.58914  6.099203       12.58914  54.07956 11.95821  31.11407 12.72444  22.96549       17.46168  
1 1 1 30 4  20 o 35.75856 14.39849  11.25493       15.81981  11.25493       15.81981  ?              ?         35.75856 14.39849  ?        ?         ?              ?         
1 1 1 30 4  21 o 38.80286 14.57469  19.53651       15.32425  19.53651       15.32425  ?              ?         38.80286 14.57469  ?        ?         ?              ?         
1 1 1 30 5  0  o 413.6497 4.582532  1712.761       37.90083  1712.761       37.90083  1712.761       37.90083  413.6497 4.582532  413.6497 4.582532  0.000000       0.000000  
1 1 1 30 5  1  o 127.0183 1.278177  161.5574       2.291966  150.5074       4.583931  172.6074       4.583931  122.6685 1.868422  131.3681 1.744690  -8.699554      2.556353  
1 1 1 30 5  2  o 207.8113 1.434318  433.8058       4.188437  377.4263       8.376874  490.1853       8.376874  194.2463 2.156250  221.3764 1.891998  -27.13011      2.868636  
1 1 1 30 5  3  o 318.5875 1.953529  1016.661       8.786664  948.2640       17.57333  1085.058       17.57333  307.8531 2.854174  329.3219 2.668108  -21.46881      3.907059  
1 1 1 30 5  4  f 257.4440 1.644634  663.2549       5.984842  639.2059       11.96968  687.3038       11.96968  252.7733 2.367672  262.1147 2.283291  -9.341446      3.289269  
1 1 1 30 5  5  o 187.0572 1.594270  350.0609       4.217027  355.8599       8.434053  344.2618       8.434053  188.6072 2.235878  185.5071 2.273243  3.100128       3.188539  
1 1 1 30 5  6  o 229.0459 1.833233  525.8036       5.922898  482.2849       11.84580  569.3224       11.84580  219.5459 2.697795  238.5459 2.482918  -19.00002      3.666467  
1 1 1 30 5  7  o 254.4513 2.137501  647.9832       7.690712  635.6132       15.38142  660.3530       15.38142  252.0206 3.051621  256.8820 2.993870  -4.861435      4.275002  
1 1 1 30 5  8  o 151.8672 1.843163  231.8412       3.931127  200.4160       7.862253  263.2664       7.862253  141.5210 2.777770  162.2135 2.423427  -20.69255      3.686327  
1 1 1 30 5  9  o 104.0655 2.214704  108.4038       3.259262  109.5474       6.518523  107.2602       6.518523  104.6149 3.115484  103.5160 3.148557  1.098923       4.429408  
1 1 1 30 5  10 o 124.7563 2.402341  156.1253       4.226557  142.6260       8.453114  169.6245       8.453114  119.3461 3.541429  130.1666 3.247037  -10.82050      4.804682  
1 1 1 30 5  11 o 208.4341 1.773680  434.8492       5.227207  424.6665       10.45441  445.0321       10.45441  205.9914 2.537585  210.8768 2.478797  -4.885406      3.547361  
1 1 1 30 5  12 f 43.29524 5.400813  19.52698       3.178256  24.26339       6.356512  14.79056       6.356512  49.09138 6.474164  37.49910 8.646404  11.59228       10.80163  
1 1 1 30 5  13 o 31.78984 5.655600  10.64978       2.596926  7.385753       5.193852  13.91381       5.193852  27.12759 8.570287  36.45210 7.381967  -9.324511      11.31120  
1 1 1 30 5  14 o 122.4384 2.091680  150.4406       3.616637  159.7133       7.233273  141.1680       7.233273  126.2251 2.865228  118.6518 3.048110  7.573349       4.183361  
1 1 1 30 5  15 o 118.6128 2.444640  141.3442       4.097902  135.3070       8.195804  147.3815       8.195804  116.0678 3.530609  121.1577 3.382287  -5.089890      4.889280  
1 1 1 30 5  16 o 58.52415 5.047629  35.43256       4.078841  26.78884       8.157682  44.07627       8.157682  51.13941 7.975927  65.90889 6.188606  -14.76948      10.09526  
1 1 1 30 5  17 o 73.09319 4.820203  54.84517       4.950837  61.82113       9.901674  47.86921       9.901674  77.86515 6.358219  68.32122 7.246412  9.543930       9.640407  
1 1 1 30 5  18 o 57.32806 6.617924  34.48432       5.365392  34.61298       10.73078  34.35566       10.73078  57.44027 9.340820  57.21585 9.377459  0.2244186      13.23585  
1 1 1 30 5  19 o 36.32279 8.691509  10.96904       6.289802  -3.812001      12.57960  25.75007       12.57960  25.65650 11.57473  46.98908 12.96900  -21.33258      17.38302  
1 1 1 30 5  20 o 58.07703 8.634292  39.57811       6.880662  33.80293       13.76132  45.35329       13.76132  53.14812 13.02917  63.00594 11.33335  -9.857819      17.26858  
1 1 1 30 5  21 o 51.50315 13.92386  35.93764       14.68574  35.93764       14.68574  ?              ?         51.50315 13.92386  ?        ?         ?              ?         
1 1 1 30 6  0  o 18.28497 9.167224  4.955602       4.069312  4.955602       4.069312  4.955602       4.069312  18.28497 9.167224  18.28497 9.167224  0.000000       0.000000  
1 1 1 30 6  1  o 157.1841 1.527789  247.3084       3.392681  234.4095       6.785362  260.2072       6.785362  153.0809 2.216266  161.2872 2.103503  -8.206223      3.055579  
1 1 1 30 6  2  o 100.4902 1.370073  102.2712       1.910766  124.8717       3.821531  79.67083       3.821531  111.7353 1.710083  89.24511 2.141031  22.49016       2.740146  
1 1 1 30 6  3  o 185.4610 1.339862  345.4483       3.492747  389.3960       6.985494  301.5007       6.985494  197.3092 1.770189  173.6128 2.011802  23.69644       2.679724  
1 1 1 30 6  4  o 391.8770 2.247795  1537.723       12.44619  1463.046       24.89237  1612.400       24.89237  382.3488 3.255191  401.4051 3.100655  -19.05627      4.495590  
1 1 1 30 6  5  o 214.5586 1.693409  461.2236       5.127142  426.1151       10.25428  496.3322       10.25428  206.3771 2.484357  222.7402 2.301848  -16.36316      3.386818  
1 1 1 30 6  6  o 372.9626 2.370548  1392.271       12.50336  1387.187       25.00673  1397.356       25.00673  372.2810 3.358582  373.6442 3.346329  -1.363190      4.741096  
1 1 1 30 6  7  o 159.5210 1.828564  254.7465       4.121727  242.7197       8.243454  266.7734       8.243454  155.7513 2.646352  163.2907 2.524166  -7.539368      3.657129  
1 1 1 30 6  8  o 159.5854 1.829684  255.1420       4.121727  273.0442       8.243454  237.2399       8.243454  165.1943 2.495078  153.9764 2.676856  11.21790       3.659367  
1 1 1 30 6  9  o 91.00446 2.303228  84.25000       2.892356  105.4114       5.784712  63.08862       5.784712  102.6310 2.818209  79.37789 3.643780  23.25312       4.606456  
1 1 1 30 6  10 o 59.79697 3.276846  36.39985       2.706521  45.35329       5.413042  27.44641       5.413042  67.28350 4.022563  52.31044 5.173960  14.97306       6.553692  
1 1 1 30 6  11 o 282.6743 2.224546  802.1309       8.858138  720.5064       17.71628  883.7554       17.71628  268.2363 3.302363  297.1122 2.981413  -28.87582      4.449093  
1 1 1 30 6  12 o 154.8331 1.740972  239.9798       3.812001  242.4528       7.624003  237.5067       7.624003  155.6317 2.449374  154.0344 2.474772  1.597244       3.481943  
1 1 1 30 6  13 o 84.89496 2.376386  72.62339       2.830411  83.13022       5.660822  62.11657       5.660822  91.08309 3.107504  78.70682 3.596145  12.37627       4.752772  
1 1 1 30 6  14 o 28.83046 5.861211  8.410229       2.682696  4.183672       5.365392  12.63678       5.365392  23.10773 8.634983  34.55320 7.927942  -11.44547      11.72242  
1 1 1 30 6  15 o 29.73123 6.050056  5.336802       3.692876  -8.424523      7.385753  19.09813       7.385753  17.13019 8.094084  42.33228 8.994359  -25.20209      12.10011  
1 1 1 30 6  16 o 62.23127 4.445937  39.84494       3.831062  30.66755       7.662123  49.02234       7.662123  54.85764 6.983643  69.60489 5.504013  -14.74725      8.891873  
1 1 1 30 6  17 o 113.0372 3.174335  129.0982       5.069962  135.3070       10.13992  122.8894       10.13992  115.7836 4.378827  110.2909 4.596901  5.492691       6.348670  
1 1 1 30 6  18 o 55.12855 7.260228  32.80704       5.532167  29.52395       11.06433  36.09013       11.06433  51.67697 11.02991  58.58012 9.443762  -6.903152      14.52046  
1 1 1 30 6  19 o 69.53998 6.618800  51.90516       6.451812  59.33381       12.90362  44.47653       12.90362  74.88125 8.616059  64.19871 10.04975  10.68254       13.23760  
1 1 1 30 6  20 o 27.56958 8.739166  -2.577866      7.128443  2.115661       14.25689  -7.271393      14.25689  29.59733 12.88244  25.54184 11.81249  4.055494       17.47833  
1 1 1 30 6  21 o 48.39204 14.55168  33.78386       15.21942  33.78386       15.21942  ?              ?         48.39204 14.55168  ?        ?         ?              ?         
1 1 1 30 7  0  o 171.6002 2.653269  294.7440       9.101154  294.7440       9.101154  294.7440       9.101154  171.6002 2.653269  171.6002 2.653269  0.000000       0.000000  
1 1 1 30 7  1  o 144.4331 1.409029  208.6642       2.878061  209.3456       5.756122  207.9828       5.756122  144.6690 1.989411  144.1973 1.995920  0.4717712      2.818058  
1 1 1 30 7  2  o 174.4771 1.284624  304.5599       3.168726  295.4778       6.337452  313.6419       6.337452  171.8745 1.843628  177.0798 1.789434  -5.205322      2.569249  
1 1 1 30 7  3  o 214.7825 1.549515  461.7096       4.703057  482.4565       9.406114  440.9628       9.406114  219.6122 2.141528  209.9528 2.240055  9.659454       3.099030  
1 1 1 30 7  4  o 106.7262 1.420782  113.9455       2.144251  112.2063       4.288502  115.6847       4.288502  105.9114 2.024570  107.5411 1.993891  -1.629623      2.841563  
1 1 1 30 7  5  o 398.3784 2.512242  1588.742       14.15206  1617.299       28.30411  1560.186       28.30411  401.9625 3.520740  394.7943 3.584666  7.168213       5.024484  
1 1 1 30 7  6  o 163.5290 1.650581  267.5549       3.816766  272.2817       7.633533  262.8280       7.633533  164.9743 2.313553  162.0837 2.354812  2.890564       3.301162  
1 1 1 30 7  7  o 179.2615 1.585328  321.5900       4.016897  333.6836       8.033793  309.4964       8.033793  182.6347 2.199416  175.8884 2.283776  6.746323       3.170657  
1 1 1 30 7  8  o 334.7686 2.145170  1121.796       10.15422  1145.831       20.30844  1097.761       20.30844  338.3584 3.001025  331.1789 3.066083  7.179504       4.290340  
1 1 1 30 7  9  o 141.9142 1.714259  201.5119       3.440331  199.4534       6.880662  203.5704       6.880662  141.1890 2.436686  142.6395 2.411907  -1.450516      3.428518  
1 1 1 30 7  10 o 198.2987 1.702352  394.5136       4.755473  354.4589       9.510944  434.5681       9.510944  188.1992 2.526830  208.3983 2.281915  -20.19913      3.404703  
1 1 1 30 7  11 o 267.2053 2.089719  714.8837       7.895608  728.8547       15.79122  700.9127       15.79122  269.8195 2.926255  264.5910 2.984081  5.228546       4.179439  
1 1 1 30 7  12 o 50.90715 3.885509  28.11352       2.434916  41.83672       4.869832  14.39031       4.869832  64.60279 3.769057  37.21151 6.795802  27.39128       7.771018  
1 1 1 30 7  13 o 121.1932 1.989206  147.6007       3.392681  130.8088       6.785362  164.3926       6.785362  114.2654 2.969123  128.1209 2.648031  -13.85546      3.978411  
1 1 1 30 7  14 o 134.7896 2.020319  182.3137       3.845356  193.8308       7.690712  170.7967       7.690712  139.0618 2.765214  130.5173 2.946242  8.544449       4.040637  
1 1 1 30 7  15 o 139.9883 2.561451  196.8994       5.069962  201.4547       10.13992  192.3441       10.13992  141.6153 3.580095  138.3612 3.664294  3.254089       5.122902  
1 1 1 30 7  16 o 23.98594 7.259166  -0.1477151     4.440981  -2.859001      8.881963  2.563571       8.881963  22.20201 9.880207  25.76987 10.63783  -3.567869      14.51833  
1 1 1 30 7  17 o 37.41571 8.016341  14.24736       5.036607  23.05308       10.07321  5.441632       10.07321  45.78672 11.09960  29.04469 11.56917  16.74203       16.03268  
1 1 1 30 7  18 o 26.68690 8.120378  -1.200780      5.794242  6.042023       11.58848  -8.443583      11.58848  30.57969 12.31915  22.79411 10.58304  7.785578       16.24076  
1 1 1 30 7  19 o 47.09389 8.730224  25.22115       6.756773  7.624003       13.51355  42.81830       13.51355  32.57368 13.22936  61.61411 11.39523  -29.04044      17.46045  
1 1 1 30 7  20 o 29.06042 12.80301  0.8958204      14.43796  0.8958204      14.43796  ?              ?         29.06042 12.80301  ?        ?         ?              ?         
1 1 1 30 7  21 o 55.94016 14.06664  45.03880       15.73404  45.03880       15.73404  ?              ?         55.94016 14.06664  ?        ?         ?              ?         
1 1 1 30 8  0  o 146.4508 2.546076  214.7205       7.452463  214.7205       7.452463  214.7205       7.452463  146.4508 2.546076  146.4508 2.546076  0.000000       0.000000  
1 1 1 30 8  1  o 356.0295 2.082956  1268.715       10.48301  1224.825       20.96601  1312.606       20.96601  349.8656 2.996294  362.1934 2.894311  -12.32776      4.165912  
1 1 1 30 8  2  o 198.7396 1.460352  396.1289       4.088372  355.7074       8.176744  436.5504       8.176744  188.5701 2.168091  208.9090 1.957011  -20.33893      2.920704  
1 1 1 30 8  3  o 150.4073 1.307006  226.3948       2.777996  236.5728       5.555993  216.2167       5.555993  153.7908 1.806348  147.0238 1.889488  6.766983       2.614011  
1 1 1 30 8  4  o 451.7167 2.559398  2042.589       16.34872  2012.603       32.69744  2072.576       32.69744  448.3975 3.646033  455.0358 3.592843  -6.638336      5.118797  
1 1 1 30 8  5  o 254.9814 1.736044  650.7229       6.256447  624.9205       12.51289  676.5255       12.51289  249.9218 2.503363  260.0411 2.405946  -10.11938      3.472089  
1 1 1 30 8  6  o 164.1945 1.645915  269.7325       3.821531  274.1306       7.643063  265.3344       7.643063  165.5338 2.308612  162.8551 2.346583  2.678604       3.291829  
1 1 1 30 8  7  o 238.4650 1.801604  568.9794       6.075377  561.8510       12.15075  576.1078       12.15075  236.9703 2.563771  239.9596 2.531833  -2.989304      3.603208  
1 1 1 30 8  8  o 87.16706 1.940519  76.13997       2.387266  81.73884       4.774532  70.54109       4.774532  90.37864 2.641405  83.95548 2.843490  6.423157       3.881038  
1 1 1 30 8  9  o 109.2930 1.832911  119.5968       2.830411  125.5102       5.660822  113.6834       5.660822  111.9983 2.527192  106.5877 2.655477  5.410568       3.665823  
1 1 1 30 8  10 o 123.6441 1.991717  153.4331       3.468921  137.7181       6.937842  169.1480       6.937842  117.2892 2.957580  129.9990 2.668421  -12.70985      3.983435  
1 1 1 30 8  11 o 53.39367 3.790021  28.73773       2.844706  25.13062       5.689413  32.34483       5.689413  50.01583 5.687612  56.77151 5.010798  -6.755680      7.580041  
1 1 1 30 8  12 o 245.3870 1.881282  603.5303       6.518523  564.8719       13.03705  642.1888       13.03705  237.5100 2.744526  253.2641 2.573805  -15.75409      3.762565  
1 1 1 30 8  13 o 122.4809 2.073510  150.7885       3.573751  133.4963       7.147503  168.0807       7.147503  115.4218 3.096254  129.5400 2.758801  -14.11828      4.147020  
1 1 1 30 8  14 o 184.6819 1.866490  342.0224       4.869832  359.9673       9.739664  324.0773       9.739664  189.5402 2.569287  179.8235 2.708117  9.716690       3.732979  
1 1 1 30 8  15 o 128.4101 2.461734  165.6267       4.469572  169.4911       8.939144  161.7623       8.939144  129.9148 3.440386  126.9054 3.521971  3.009438       4.923468  
1 1 1 30 8  16 o 108.9077 3.094825  119.6063       4.765002  116.0469       9.530005  123.1658       9.530005  107.2736 4.441917  110.5419 4.310585  -3.268333      6.189650  
1 1 1 30 8  17 o 54.99743 6.667889  32.15900       5.031842  36.48085       10.06368  27.83714       10.06368  59.35378 8.477712  50.64109 10.29424  8.712685       13.33578  
1 1 1 30 8  18 o 79.65265 5.175808  65.59025       5.827598  63.34593       11.65520  67.83456       11.65520  78.24383 7.447997  81.06146 7.189110  -2.817635      10.35162  
1 1 1 30 8  19 o 47.59045 9.482203  26.72690       6.723418  31.27747       13.44684  22.17632       13.44684  51.64336 13.01491  43.53753 13.79351  8.105831       18.96441  
1 1 1 30 8  20 o 51.10048 9.295678  32.17329       7.157033  19.32685       14.31407  45.01974       14.31407  40.24655 14.21713  61.95440 11.97964  -21.70785      18.59136  
1 1 1 30 9  0  o 149.9642 2.721878  225.1749       8.157682  225.1749       8.157682  225.1749       8.157682  149.9642 2.721878  149.9642 2.721878  0.000000       0.000000  
1 1 1 30 9  1  o 174.4844 1.420010  305.1889       3.492747  277.0086       6.985494  333.3690       6.985494  166.4091 2.098891  182.5597 1.913208  -16.15057      2.840019  
1 1 1 30 9  2  o 147.4010 1.440675  217.8559       2.992421  239.1078       5.984842  196.6040       5.984842  154.6098 1.935466  140.1921 2.134515  14.41776       2.881351  
1 1 1 30 9  3  o 350.6093 2.046435  1230.214       10.14469  1260.314       20.28938  1200.113       20.28938  354.9019 2.858448  346.3167 2.929309  8.585205       4.092869  
1 1 1 30 9  4  o 321.4241 1.964387  1034.096       8.924850  996.1618       17.84970  1072.030       17.84970  315.5232 2.828587  327.3251 2.726601  -11.80188      3.928773  
1 1 1 30 9  5  o 126.1681 1.563518  159.6943       2.777996  142.7976       5.555993  176.5910       5.555993  119.4720 2.325228  132.8642 2.090853  -13.39220      3.127036  
1 1 1 30 9  6  o 254.3049 1.785344  647.1968       6.418458  626.8551       12.83692  667.5386       12.83692  250.3055 2.564250  258.3044 2.484842  -7.998993      3.570689  
1 1 1 30 9  7  o 248.6833 1.838593  618.7926       6.466108  615.5621       12.93222  622.0233       12.93222  248.0338 2.606946  249.3329 2.593364  -1.299103      3.677187  
1 1 1 30 9  8  o 234.1701 1.787690  548.8376       5.918132  565.6915       11.83626  531.9839       11.83626  237.7687 2.489029  230.5715 2.566724  7.197250       3.575379  
1 1 1 30 9  9  o 167.5686 1.723569  280.9921       4.083606  287.6822       8.167212  274.3021       8.167212  169.5648 2.408286  165.5724 2.466357  3.992416       3.447138  
1 1 1 30 9  10 o 189.4169 1.775434  359.1001       4.755473  353.1629       9.510944  365.0373       9.510944  187.8497 2.531530  190.9841 2.489983  -3.134445      3.550867  
1 1 1 30 9  11 o 174.5681 1.779720  305.2698       4.388567  288.2350       8.777133  322.3047       8.777133  169.6890 2.586241  179.4473 2.445602  -9.758286      3.559440  
1 1 1 30 9  12 o 71.26341 2.731296  52.26731       2.644576  68.82569       5.289153  35.70893       5.289153  82.88114 3.190805  59.64568 4.433810  23.23547       5.462592  
1 1 1 30 9  13 o 64.92447 3.282515  42.37993       3.011481  40.42628       6.022963  44.33358       6.022963  63.41991 4.748479  66.42902 4.533382  -3.009113      6.565029  
1 1 1 30 9  14 o 84.27832 2.983639  71.67516       3.535631  62.85991       7.071262  80.49041       7.071262  79.04847 4.472739  89.50817 3.950066  -10.45970      5.967278  
1 1 1 30 9  15 o 47.12440 6.030630  23.42951       3.883476  18.40244       7.766953  28.45659       7.766953  41.42469 9.561713  52.82412 7.351710  -11.39943      12.06126  
1 1 1 30 9  16 o 56.89896 6.384670  36.12825       4.645877  53.74922       9.291754  18.50727       9.291754  72.63832 6.395904  41.15961 11.05208  31.47871       12.76934  
1 1 1 30 9  17 o 47.93728 7.972775  25.35934       5.322507  27.24628       10.64501  23.47240       10.64501  49.82534 10.97807  46.04922 11.56471  3.776123       15.94555  
1 1 1 30 9  18 o 64.21917 6.760380  43.72366       6.127792  40.75030       12.25558  46.69702       12.25558  61.90416 9.898839  66.53418 9.209992  -4.630024      13.52076  
1 1 1 30 9  19 o 52.19830 8.144321  31.25365       6.132557  44.25734       12.26511  18.24996       12.26511  64.28783 9.539221  40.10876 13.20315  24.17907       16.28864  
1 1 1 30 9  20 o 30.98430 12.99054  6.061082       13.57072  6.061082       13.57072  ?              ?         30.98430 12.99054  ?        ?         ?              ?         
1 1 1 30 10 0  o 37.91696 7.066136  15.73404       4.831712  15.73404       4.831712  15.73404       4.831712  37.91696 7.066136  37.91696 7.066136  0.000000       0.000000  
1 1 1 30 10 1  o 161.9747 1.332604  263.1425       3.040071  290.5603       6.080142  235.7246       6.080142  170.4383 1.783678  153.5111 1.980359  16.92722       2.665207  
1 1 1 30 10 2  o 246.8131 1.604775  610.2728       5.589347  656.4553       11.17869  564.0905       11.17869  256.1688 2.181900  237.4573 2.353832  18.71149       3.209550  
1 1 1 30 10 3  o 217.6399 1.736481  475.4804       5.317742  530.4686       10.63548  420.4923       10.63548  230.2727 2.309324  205.0070 2.593932  25.26564       3.472961  
1 1 1 30 10 4  o 163.1268 1.596708  266.2207       3.683347  263.0472       7.366693  269.3941       7.366693  162.1541 2.271510  164.0995 2.244581  -1.945404      3.193415  
1 1 1 30 10 5  o 75.61064 2.144800  58.03296       2.244316  71.75140       4.488632  44.31452       4.488632  84.68240 2.650274  66.53887 3.372939  18.14353       4.289600  
1 1 1 30 10 6  o 224.8828 1.610342  506.1814       5.117613  483.6953       10.23522  528.6675       10.23522  219.8833 2.327422  229.8822 2.226189  -9.998993      3.220685  
1 1 1 30 10 7  o 30.76435 4.982244  9.901674       2.125191  11.00715       4.250381  8.796194       4.250381  32.50497 6.762033  29.02373 7.318873  3.481236       9.964487  
1 1 1 30 10 8  o 125.3908 1.657989  157.3165       2.940006  158.7699       5.880013  155.8632       5.880013  125.9703 2.333888  124.8113 2.355562  1.159035       3.315977  
1 1 1 30 10 9  f 124.2191 1.830285  154.8340       3.202081  138.6616       6.404162  171.0064       6.404162  117.7095 2.720325  130.7288 2.449408  -13.01927      3.660569  
1 1 1 30 10 10 o 102.7601 2.127058  105.9022       3.082956  114.7794       6.165912  97.02497       6.165912  107.0794 2.879130  98.44067 3.131791  8.638771       4.254116  
1 1 1 30 10 11 o 113.6781 2.155070  129.4270       3.464156  131.8190       6.928313  127.0350       6.928313  114.7302 3.019392  112.6260 3.075804  2.104218       4.310139  
1 1 1 30 10 12 o 51.57860 3.937389  27.55601       2.744641  18.32620       5.489282  36.78582       5.489282  42.63128 6.438092  60.52592 4.534654  -17.89465      7.874777  
1 1 1 30 10 13 o 122.6314 2.002833  150.8123       3.468921  159.6847       6.937842  141.9399       6.937842  126.2489 2.747684  119.0139 2.914720  7.235039       4.005666  
1 1 1 30 10 14 o 39.64281 5.834228  16.82999       3.626166  2.382501       7.252333  31.27747       7.252333  23.72391 9.672604  55.56170 6.526377  -31.83779      11.66846  
1 1 1 30 10 15 o 29.32017 7.602976  7.080792       4.221792  10.34005       8.443583  3.821531       8.443583  32.35653 10.95483  26.28382 10.54574  6.072710       15.20595  
1 1 1 30 10 16 o 137.1954 2.976637  189.9568       5.770417  198.9674       11.54083  180.9462       11.54083  140.4793 4.107664  133.9115 4.309126  6.567749       5.953274  
1 1 1 30 10 17 o 66.31487 5.604487  45.40094       5.255797  45.92509       10.51159  44.87679       10.51159  66.71006 7.878568  65.91967 7.973033  0.7903900      11.20897  
1 1 1 30 10 18 o 55.46428 7.163230  33.32166       5.494047  31.18217       10.98809  35.46114       10.98809  53.07478 10.72684  57.85378 9.496437  -4.778999      14.32646  
1 1 1 30 10 19 o 37.70734 8.561428  12.77020       6.261212  -3.173491      12.52242  28.71390       12.52242  25.80733 11.60065  49.60735 12.59433  -23.80002      17.12286  
1 1 1 30 10 20 o 38.47007 14.47337  16.65845       15.12411  16.65845       15.12411  ?              ?         38.47007 14.47337  ?        ?         ?              ?         
1 1 1 30 11 0  o 42.19056 5.453975  18.69787       4.479102  18.69787       4.479102  18.69787       4.479102  42.19056 5.453975  42.19056 5.453975  0.000000       0.000000  
1 1 1 30 11 1  o 105.4615 1.465071  111.6726       2.172841  125.2814       4.345681  98.06374       4.345681  111.9135 1.941535  99.00946 2.194579  12.90408       2.930143  
1 1 1 30 11 2  o 104.2756 1.585175  108.8612       2.334851  102.7430       4.669702  114.9795       4.669702  101.3419 2.303934  107.2093 2.177843  -5.867393      3.170349  
1 1 1 30 11 3  o 159.7534 1.477319  256.3809       3.316442  289.6359       6.632883  223.1260       6.632883  170.1616 1.948995  149.3452 2.220655  20.81642       2.954638  
1 1 1 30 11 4  o 164.6098 1.389867  271.0524       3.235436  273.2729       6.470873  268.8318       6.470873  165.2842 1.957499  163.9353 1.973606  1.348923       2.779734  
1 1 1 30 11 5  o 197.5686 1.516788  390.5919       4.236087  404.0341       8.472174  377.1499       8.472174  200.9705 2.107815  194.1668 2.181674  6.803741       3.033577  
1 1 1 30 11 6  o 291.4604 1.891989  850.5528       7.790778  894.3242       15.58156  806.7815       15.58156  298.9694 2.605878  283.9515 2.743700  15.01791       3.783978  
1 1 1 30 11 7  o 70.12731 2.549617  49.46549       2.511156  56.14125       5.022312  42.78971       5.022312  74.88706 3.353258  65.36756 3.841594  9.519501       5.099233  
1 1 1 30 11 8  o 153.4774 1.673270  235.7151       3.630931  229.6636       7.261863  241.7666       7.261863  151.5060 2.396560  155.4489 2.335771  -3.942963      3.346540  
1 1 1 30 11 9  o 77.25720 2.496039  60.49170       2.677931  73.62881       5.355862  47.35459       5.355862  85.75939 3.122610  68.75500 3.894889  17.00439       4.992079  
1 1 1 30 11 10 f 275.6714 1.947042  761.6284       7.576353  707.6505       15.15271  815.6062       15.15271  265.8811 2.849527  285.4616 2.654070  -19.58054      3.894084  
1 1 1 30 11 11 o 148.0381 1.830755  219.6380       3.826297  234.4095       7.652593  204.8665       7.652593  153.0272 2.500403  143.0490 2.674815  9.978180       3.661510  
1 1 1 30 11 12 o 103.4441 2.216985  107.8177       3.216377  123.7566       6.432753  91.87877       6.432753  111.1482 2.893772  95.73997 3.359491  15.40826       4.433971  
1 1 1 30 11 13 o 96.72651 2.523854  95.04751       3.387916  74.08625       6.775833  116.0087       6.775833  85.89119 3.944428  107.5618 3.149739  -21.67064      5.047709  
1 1 1 30 11 14 o 21.37886 6.328199  0.5432101      3.278321  3.154431       6.556643  -2.068011      6.556643  23.49102 9.341105  19.26670 8.539799  4.224316       12.65640  
1 1 1 30 11 15 o 80.15506 3.629749  65.29958       4.074077  75.72541       8.148153  54.87376       8.148153  86.65859 4.701295  73.65153 5.531558  13.00706       7.259498  
1 1 1 30 11 16 o 243.6680 2.206920  596.8975       7.600178  621.3562       15.20036  572.4387       15.20036  248.6869 3.056123  238.6491 3.184666  10.03773       4.413841  
1 1 1 30 11 17 o 69.13962 5.910758  49.92769       5.703707  40.96949       11.40741  58.88589       11.40741  62.66127 9.102444  75.61797 7.542794  -12.95669      11.82152  
1 1 1 30 11 18 o 107.5624 4.331110  118.9535       6.551878  104.8872       13.10376  133.0198       13.10376  101.0237 6.485486  114.1010 5.742172  -13.07734      8.662220  
1 1 1 30 11 19 o 57.15064 8.972902  38.37256       7.323808  26.06456       14.64762  50.68056       14.64762  46.41988 14.34039  67.88140 10.78912  -21.46152      17.94580  
1 1 1 30 11 20 o 72.05892 8.415151  60.11527       8.386403  63.12675       16.77281  57.10379       16.77281  74.67383 11.23071  69.44402 12.53516  5.229813       16.83030  
1 1 1 30 12 0  o 308.7378 3.850537  954.1725       23.76783  954.1725       23.76783  954.1725       23.76783  308.7378 3.850537  308.7378 3.850537  0.000000       0.000000  
1 1 1 30 12 1  o 174.6689 1.406483  306.3372       3.454626  268.8224       6.909253  343.8521       6.909253  163.9301 2.107378  185.4078 1.863259  -21.47771      2.812965  
1 1 1 30 12 2  o 209.6007 1.469112  440.7245       4.336152  487.6408       8.672303  393.8083       8.672303  220.7925 1.963904  198.4089 2.185463  22.38362       2.938225  
1 1 1 30 12 3  o 268.3307 1.725265  720.6970       6.542348  751.9840       13.08470  689.4100       13.08470  274.1607 2.386319  262.5008 2.492315  11.65988       3.450530  
1 1 1 30 12 4  o 108.4837 1.904347  118.1578       2.906651  104.3821       5.813303  131.9334       5.813303  102.1346 2.845904  114.8329 2.531201  -12.69833      3.808694  
1 1 1 30 12 5  f 320.6008 2.047634  1029.012       9.277458  984.6877       18.55492  1073.336       18.55492  313.6881 2.957542  327.5134 2.832696  -13.82532      4.095268  
1 1 1 30 12 6  o 162.1562 1.540170  263.1091       3.530867  255.5089       7.061733  270.7093       7.061733  159.8128 2.209377  164.4997 2.146427  -4.686951      3.080340  
1 1 1 30 12 7  o 213.9177 1.615177  458.5791       4.874598  421.9600       9.749194  495.1981       9.749194  205.3586 2.373700  222.4769 2.191058  -17.11829      3.230354  
1 1 1 30 12 8  o 183.0980 1.663023  335.8469       4.298031  359.7386       8.596063  311.9551       8.596063  189.6223 2.266628  176.5737 2.434129  13.04860       3.326047  
1 1 1 30 12 9  o 158.3277 1.717739  250.8964       3.845356  256.8717       7.690712  244.9211       7.690712  160.2147 2.400127  156.4407 2.458029  3.774017       3.435479  
1 1 1 30 12 10 o 94.63948 2.263550  89.85841       3.021011  97.62537       6.042023  82.09145       6.042023  98.74293 3.059471  90.53604 3.336805  8.206886       4.527100  
1 1 1 30 12 11 o 118.3296 2.141007  140.3484       3.578516  132.4099       7.157033  148.2868       7.157033  114.9752 3.112425  121.6840 2.940827  -6.708809      4.282015  
1 1 1 30 12 12 o 231.8762 1.793638  539.0790       5.870482  500.6492       11.74096  577.5087       11.74096  223.5895 2.625563  240.1629 2.444376  -16.57339      3.587276  
1 1 1 30 12 13 o 70.35544 3.163073  49.86575       3.140136  53.69204       6.280273  46.03945       6.280273  73.07470 4.297159  67.63618 4.642687  5.438515       6.326146  
1 1 1 30 12 14 o 132.9838 2.321097  177.6536       4.359977  187.6744       8.719954  167.6328       8.719954  136.7515 3.188248  129.2161 3.374174  7.535355       4.642195  
1 1 1 30 12 15 o 78.77756 3.868612  62.82655       4.302797  58.69530       8.605594  66.95781       8.605594  76.15546 5.650018  81.39967 5.286014  -5.244209      7.737225  
1 1 1 30 12 16 o 55.18806 6.494411  33.76957       4.674467  48.85080       9.348933  18.68834       9.348933  69.11485 6.763333  41.26127 11.08904  27.85358       12.98882  
1 1 1 30 12 17 o 91.88417 4.908727  87.24242       6.299332  102.6477       12.59866  71.83717       12.59866  100.2671 6.282549  83.50119 7.544003  16.76595       9.817454  
1 1 1 30 12 18 o 63.37051 8.143855  46.16811       6.904487  25.64524       13.80897  66.69096       13.80897  47.04001 13.79283  79.70102 8.662985  -32.66101      16.28771  
1 1 1 30 12 19 o 75.82953 6.983364  62.64072       7.461993  57.00848       14.92399  68.27295       14.92399  72.11578 10.34724  79.54327 9.381049  -7.427490      13.96673  
1 1 1 30 12 20 o 102.5766 6.063784  113.7549       8.791429  109.6522       17.58286  117.8576       17.58286  100.5768 8.741009  104.5764 8.406702  -3.999611      12.12757  
1 1 1 30 13 0  o 338.8664 4.008812  1149.519       27.16051  1149.519       27.16051  1149.519       27.16051  338.8664 4.008812  338.8664 4.008812  0.000000       0.000000  
1 1 1 30 13 1  o 95.15152 1.657348  90.58269       2.230021  91.91689       4.460042  89.24848       4.460042  95.85261 2.326510  94.45042 2.361049  1.402184       3.314695  
1 1 1 30 13 2  o 129.0621 1.636092  166.7655       2.982891  157.6834       5.965783  175.8476       5.965783  125.5436 2.375980  132.5806 2.249870  -7.036987      3.272185  
1 1 1 30 13 3  o 273.3421 2.026204  749.7015       7.800308  828.0811       15.60062  671.3220       15.60062  287.6794 2.711459  259.0049 3.011645  28.67450       4.052409  
1 1 1 30 13 4  o 359.2383 2.308279  1291.635       11.72667  1302.361       23.45334  1280.909       23.45334  360.7311 3.250806  357.7454 3.277938  2.985748       4.616559  
1 1 1 30 13 5  f 262.6687 1.813871  690.3392       6.737713  683.2155       13.47543  697.4628       13.47543  261.3127 2.578410  264.0247 2.551925  -2.712036      3.627743  
1 1 1 30 13 6  o 114.8226 1.712150  131.9858       2.777996  138.1183       5.555993  125.8532       5.555993  117.4930 2.364392  112.1521 2.476989  5.340912       3.424299  
1 1 1 30 13 7  o 133.3924 1.788887  178.2492       3.368856  166.2033       6.737713  190.2951       6.737713  128.8772 2.614005  137.9076 2.442835  -9.030441      3.577774  
1 1 1 30 13 8  f 227.6873 1.705256  519.1232       5.484517  547.9943       10.96903  490.2520       10.96903  234.0274 2.343536  221.3473 2.477789  12.68016       3.410513  
1 1 1 30 13 9  o 294.1994 1.967934  868.5026       8.157682  782.7183       16.31536  954.2869       16.31536  279.6201 2.917416  308.7787 2.641919  -29.15854      3.935868  
1 1 1 30 13 10 o 97.80345 2.254255  96.61517       3.078191  78.92749       6.156383  114.3029       6.156383  88.76098 3.467956  106.8459 2.880963  -18.08494      4.508510  
1 1 1 30 13 11 o 122.1450 2.152859  149.6306       3.711936  160.1231       7.423873  139.1381       7.423873  126.4401 2.935728  117.8499 3.149717  8.590240       4.305718  
1 1 1 30 13 12 o 60.38953 3.504682  37.24326       2.920946  27.95150       5.841892  46.53501       5.841892  52.69635 5.542976  68.08272 4.290290  -15.38637      7.009363  
1 1 1 30 13 13 o 54.26665 4.471893  30.50554       3.306911  39.74965       6.613823  21.26144       6.613823  62.78395 5.267128  45.74936 7.228323  17.03460       8.943786  
1 1 1 30 13 14 o 37.36285 6.409085  14.22829       3.893007  3.411741       7.786013  25.04485       7.786013  25.21682 10.12298  49.50888 7.863249  -24.29206      12.81817  
1 1 1 30 13 15 o 121.0802 2.715720  147.5388       4.645877  140.2245       9.291754  154.8530       9.291754  118.0598 3.935190  124.1006 3.743637  -6.040855      5.431440  
1 1 1 30 13 16 o 143.8805 2.707580  209.2169       5.479752  184.4246       10.95950  234.0092       10.95950  135.2649 4.051127  152.4961 3.593373  -17.23119      5.415160  
1 1 1 30 13 17 o 57.39320 7.132015  36.21402       5.489282  48.26947       10.97856  24.15856       10.97856  68.26526 8.041107  46.52114 11.78148  21.74412       14.26403  
1 1 1 30 13 18 o 64.20530 7.951312  46.19669       6.904487  34.14600       13.80897  58.24739       13.80897  54.35372 12.88297  74.05688 9.323223  -19.70316      15.90262  
1 1 1 30 13 19 o 79.89458 6.401832  68.54455       7.233273  68.33965       14.46655  68.74945       14.46655  79.76634 9.068077  80.02280 9.039015  -0.2564621     12.80366  
1 1 1 30 13 20 f 126.0393 4.906182  168.4380       8.729484  179.4023       17.45897  157.4738       17.45897  130.3888 6.694964  121.6897 7.173560  8.699081       9.812365  
1 1 1 30 14 0  o 23.97999 11.20612  8.472174       5.956253  8.472174       5.956253  8.472174       5.956253  23.97999 11.20612  23.97999 11.20612  0.000000       0.000000  
1 1 1 30 14 1  o 90.13170 1.778139  81.46724       2.258611  73.62881       4.517222  89.30566       4.517222  85.78339 2.632924  94.48002 2.390570  -8.696632      3.556278  
1 1 1 30 14 2  o 85.01827 2.016108  72.68057       2.406326  62.57400       4.812652  82.78715       4.812652  79.07451 3.043112  90.96204 2.645418  -11.88753      4.032216  
1 1 1 30 14 3  o 174.2430 1.500417  304.2168       3.688112  328.9185       7.376224  279.5150       7.376224  181.3314 2.033907  167.1547 2.206406  14.17662       3.000834  
1 1 1 30 14 4  o 302.1606 1.888827  914.2085       8.062383  864.5620       16.12477  963.8550       16.12477  293.9453 2.742817  310.3759 2.597620  -16.43054      3.777655  
1 1 1 30 14 5  o 112.4417 1.829565  126.7205       2.901886  137.1558       5.803772  116.2851       5.803772  117.0820 2.478507  107.8014 2.691883  9.280678       3.659130  
1 1 1 30 14 6  o 295.7158 1.954070  875.1497       8.171978  871.8238       16.34396  878.4758       16.34396  295.1534 2.768723  296.2781 2.758212  -1.124725      3.908140  
1 1 1 30 14 7  o 193.0387 1.620034  372.8614       4.421922  380.7237       8.843843  364.9991       8.843843  195.0752 2.266778  191.0023 2.315114  4.072891       3.240068  
1 1 1 30 14 8  o 24.09861 5.974938  5.108082       2.534981  6.204032       5.069962  4.012132       5.069962  25.50693 8.488750  22.69029 8.410747  2.816639       11.94988  
1 1 1 30 14 9  o 59.73882 3.334907  35.83758       2.811351  38.54887       5.622702  33.12630       5.622702  62.00810 4.533845  57.46953 4.891899  4.538567       6.669814  
1 1 1 30 14 10 o 146.6345 1.907066  215.7736       3.940656  194.8123       7.881313  236.7348       7.881313  139.4871 2.825105  153.7820 2.562496  -14.29489      3.814132  
1 1 1 30 14 11 o 33.52920 5.504979  11.15487       3.073426  21.44251       6.146852  0.8672303      6.146852  46.10159 6.666638  20.95680 8.762141  25.14479       11.00996  
1 1 1 30 14 12 o 142.2251 1.957561  203.0177       3.926362  220.4957       7.852723  185.5396       7.852723  148.3696 2.646338  136.0806 2.885320  12.28899       3.915122  
1 1 1 30 14 13 o 46.25781 5.194361  22.10485       3.306911  24.43493       6.613823  19.77476       6.613823  49.10042 6.734996  43.41521 7.909828  5.685215       10.38872  
1 1 1 30 14 14 o 97.93800 2.994446  96.56754       4.145552  93.20344       8.291104  99.93161       8.291104  96.22055 4.308385  99.65546 4.159884  -3.434906      5.988891  
1 1 1 30 14 15 o 53.69112 5.896796  30.41501       4.283737  23.90125       8.567473  36.92877       8.567473  47.25887 9.398108  60.12337 7.124912  -12.86449      11.79359  
1 1 1 30 14 16 o 62.99995 5.177146  40.78365       4.602992  37.82458       9.205984  43.74271       9.205984  60.65148 7.589249  65.34842 7.043769  -4.696938      10.35429  
1 1 1 30 14 17 o 124.9126 3.526098  158.4363       6.223093  166.2604       12.44619  150.6122       12.44619  128.0445 4.860103  121.7808 5.110077  6.263680       7.052197  
1 1 1 30 14 18 o 51.01775 8.416050  29.47153       7.080793  52.39596       14.16159  6.547113       14.16159  69.61321 10.17162  32.42229 13.41110  37.19092       16.83210  
1 1 1 30 14 19 o 43.52915 14.82682  22.99590       15.46720  22.99590       15.46720  ?              ?         43.52915 14.82682  ?        ?         ?              ?         
1 1 1 30 15 0  o 377.5052 4.579638  1426.918       34.56533  1426.918       34.56533  1426.918       34.56533  377.5052 4.579638  377.5052 4.579638  0.000000       0.000000  
1 1 1 30 15 1  o 327.0845 2.000874  1070.658       9.253634  1046.604       18.50727  1094.711       18.50727  323.4075 2.861292  330.7615 2.797676  -7.353973      4.001748  
1 1 1 30 15 2  o 74.64320 2.091968  55.95066       2.196666  49.33683       4.393332  62.56448       4.393332  70.21291 3.128578  79.07349 2.778005  -8.860580      4.183935  
1 1 1 30 15 3  o 333.3043 2.033243  1111.775       9.582418  1134.795       19.16484  1088.755       19.16484  336.7575 2.845495  329.8510 2.905075  6.906494       4.066485  
1 1 1 30 15 4  o 194.3872 1.692671  378.1887       4.650642  392.7600       9.301284  363.6173       9.301284  198.1352 2.347206  190.6392 2.439500  7.496048       3.385341  
1 1 1 30 15 5  o 212.4250 1.724800  452.1701       5.170027  486.9260       10.34005  417.4142       10.34005  220.6057 2.343560  204.2442 2.531297  16.36151       3.449599  
1 1 1 30 15 6  o 214.2832 1.656992  459.6512       5.017547  438.9138       10.03509  480.3884       10.03509  209.4445 2.395645  219.1220 2.289842  -9.677505      3.313984  
1 1 1 30 15 7  o 142.2204 1.885781  202.9129       3.778647  182.6711       7.557293  223.1546       7.557293  135.1040 2.796842  149.3367 2.530287  -14.23264      3.771562  
1 1 1 30 15 8  o 70.61547 2.929796  49.97534       2.925711  50.53761       5.851423  49.41307       5.851423  71.01360 4.119931  70.21735 4.166651  0.7962494      5.859591  
1 1 1 30 15 9  o 116.2357 2.115156  135.3546       3.473686  128.6074       6.947372  142.1019       6.947372  113.3333 3.065019  119.1381 2.915681  -5.804794      4.230311  
1 1 1 30 15 10 o 254.4525 1.855393  648.2547       6.675768  660.3054       13.35154  636.2040       13.35154  256.8205 2.599391  252.0846 2.648225  4.735947       3.710786  
1 1 1 30 15 11 o 101.1260 2.469777  102.6429       3.526102  109.5379       7.052203  95.74795       7.052203  104.5350 3.373129  97.71686 3.608489  6.818192       4.939553  
1 1 1 30 15 12 o 46.65202 5.063899  22.06672       3.340266  22.57658       6.680532  21.55687       6.680532  47.19847 7.077065  46.10558 7.244821  1.092892       10.12780  
1 1 1 30 15 13 o 92.48388 2.821897  86.07977       3.683347  92.36479       7.366693  79.79472       7.366693  95.88179 3.841550  89.08597 4.134598  6.795822       5.643794  
1 1 1 30 15 14 o 43.59196 6.441980  20.24649       3.921597  26.09315       7.843193  14.39984       7.843193  50.51096 7.763854  36.67297 10.28198  13.83799       12.88396  
1 1 1 30 15 15 o 70.72943 4.520466  51.06176       4.512457  47.37365       9.024914  54.74987       9.024914  68.12224 6.624058  73.33663 6.153074  -5.214394      9.040933  
1 1 1 30 15 16 f 63.88452 5.206177  42.28939       4.636347  34.29848       9.272694  50.28030       9.272694  57.63034 8.044976  70.13870 6.610255  -12.50836      10.41235  
1 1 1 30 15 17 o 30.23542 8.568582  6.213562       5.565523  6.251682       11.13105  6.175443       11.13105  30.26284 12.12237  30.20799 12.11323  0.5484772E-01  17.13716  
1 1 1 30 15 18 o 41.26063 8.490156  17.86399       6.180207  33.19300       12.36041  2.534981       12.36041  53.88576 11.79287  28.63549 12.21716  25.25027       16.98031  
1 1 1 30 15 19 o 84.69859 7.208847  81.91515       7.881313  110.9102       15.76263  52.92011       15.76263  102.2362 7.708926  67.16098 12.18369  35.07522       14.41769  
1 1 1 30 15 20 o 21.55539 10.61725  -21.30909      16.09618  -21.30909      16.09618  ?              ?         21.55539 10.61725  ?        ?         ?              ?         
1 1 1 30 16 0  o 252.8837 3.728894  640.2733       18.85035  640.2733       18.85035  640.2733       18.85035  252.8837 3.728894  252.8837 3.728894  0.000000       0.000000  
1 1 1 30 16 1  o 293.2202 1.913292  862.0222       7.909904  939.3820       15.81981  784.6623       15.81981  306.4116 2.581464  280.0287 2.824675  26.38284       3.826584  
1 1 1 30 16 2  o 295.9689 1.920362  877.4940       8.024263  818.4938       16.04853  936.4944       16.04853  286.0016 2.805671  305.9362 2.622855  -19.93463      3.840724  
1 1 1 30 16 3  o 259.0238 1.747004  671.2935       6.399398  666.1282       12.79880  676.4588       12.79880  258.0268 2.480129  260.0209 2.461109  -1.994141      3.494009  
1 1 1 30 16 4  o 219.9902 1.573530  484.3005       4.893657  499.4579       9.787313  469.1430       9.787313  223.4353 2.190190  216.5452 2.259878  6.890076       3.147059  
1 1 1 30 16 5  o 251.0763 1.774194  631.1340       6.294568  601.6673       12.58914  660.6008       12.58914  245.2082 2.567030  256.9444 2.449779  -11.73619      3.548388  
1 1 1 30 16 6  o 236.8968 1.768493  562.8516       5.903837  617.4680       11.80767  508.2351       11.80767  248.4243 2.376514  225.3693 2.619628  23.05498       3.536986  
1 1 1 30 16 7  o 273.4911 1.882880  748.6819       7.280923  766.6888       14.56185  730.6749       14.56185  276.7832 2.630551  270.1991 2.694651  6.584106       3.765759  
1 1 1 30 16 8  o 85.43118 2.442562  73.11895       2.949536  75.82070       5.899073  70.41720       5.899073  87.01242 3.389787  83.84993 3.517637  3.162491       4.885123  
1 1 1 30 16 9  o 99.51945 2.305975  99.21210       3.244966  101.2277       6.489933  97.19652       6.489933  100.5321 3.227791  98.50679 3.294155  2.025314       4.611951  
1 1 1 30 16 10 o 92.28560 2.617862  85.37930       3.416506  86.15123       6.833013  84.60737       6.833013  92.70382 3.685400  91.86737 3.718955  0.8364487      5.235723  
1 1 1 30 16 11 o 26.17229 6.551651  5.961017       3.073426  4.174142       6.146852  7.747893       6.146852  24.11327 9.183236  28.23132 9.346907  -4.118050      13.10330  
1 1 1 30 16 12 o 64.80008 3.756354  42.62771       3.406976  49.59414       6.813953  35.66127       6.813953  70.17541 4.854944  59.42475 5.733262  10.75066       7.512707  
1 1 1 30 16 13 o 92.34994 2.848637  85.89393       3.711936  79.25151       7.423873  92.53634       7.423873  88.75361 4.182293  95.94627 3.868766  -7.192657      5.697274  
1 1 1 30 16 14 o 145.6695 2.329322  213.0718       4.798357  210.6798       9.596713  215.4638       9.596713  144.8485 3.312673  146.4906 3.275540  -1.642090      4.658644  
1 1 1 30 16 15 o 171.3177 2.358956  295.5302       5.703707  273.9590       11.40741  317.1013       11.40741  165.0221 3.456330  177.6134 3.211304  -12.59131      4.717911  
1 1 1 30 16 16 o 72.57693 5.084593  54.24954       5.193852  60.20103       10.38770  48.29806       10.38770  76.67706 6.773672  68.47681 7.584834  8.200241       10.16919  
1 1 1 30 16 17 o 59.76595 7.350999  39.52569       5.918132  28.14210       11.83626  50.90928       11.83626  49.82098 12.00319  69.71091 8.489535  -19.88994      14.70200  
1 1 1 30 16 18 o 89.66516 5.656320  85.13628       7.071262  100.7798       14.14252  69.49279       14.14252  98.38845 7.187086  80.94188 8.736223  17.44657       11.31264  
1 1 1 30 16 19 o 79.04801 6.620826  68.22054       7.400048  69.63574       14.80010  66.80533       14.80010  79.94317 9.256637  78.15285 9.468686  1.790314       13.24165  
1 1 1 30 17 0  o 150.5121 3.178515  226.9380       9.558595  226.9380       9.558595  226.9380       9.558595  150.5121 3.178515  150.5121 3.178515  0.000000       0.000000  
1 1 1 30 17 1  o 115.1344 1.742272  132.9769       2.825646  119.3633       5.651292  146.5905       5.651292  109.2224 2.587058  121.0465 2.334348  -11.82410      3.484544  
1 1 1 30 17 2  o 344.3914 2.166311  1187.124       10.54971  1207.347       21.09943  1166.901       21.09943  347.3274 3.037398  341.4554 3.089631  5.872009       4.332621  
1 1 1 30 17 3  o 189.4330 1.568614  359.2621       4.197967  378.0743       8.395933  340.4499       8.395933  194.3984 2.159466  184.4676 2.275721  9.930801       3.137228  
1 1 1 30 17 4  o 209.5887 1.687869  440.0622       4.993722  470.7917       9.987444  409.3328       9.987444  216.9196 2.302107  202.2578 2.468989  14.66180       3.375737  
1 1 1 30 17 5  o 112.1480 1.831302  125.9247       2.901886  119.8017       5.803772  132.0477       5.803772  109.4181 2.652109  114.8779 2.526062  -5.459785      3.662604  
1 1 1 30 17 6  o 206.0701 1.674383  424.9048       4.879362  429.8127       9.758724  419.9968       9.758724  207.2610 2.354212  204.8793 2.381579  2.381683       3.348766  
1 1 1 30 17 7  o 204.2804 1.616675  417.6286       4.669702  426.6010       9.339403  408.6561       9.339403  206.4765 2.261615  202.0842 2.310770  4.392227       3.233351  
1 1 1 30 17 8  o 228.7965 1.705621  523.9358       5.517872  535.1859       11.03574  512.6857       11.03574  231.2550 2.386055  226.3379 2.437891  4.917084       3.411242  
1 1 1 30 17 9  o 79.82213 2.657378  64.50384       2.954301  77.35504       5.908603  51.65262       5.908603  87.87204 3.362049  71.77222 4.116218  16.09982       5.314755  
1 1 1 30 17 10 f 80.55293 2.837287  65.69032       3.187786  78.14603       6.375573  53.23460       6.375573  88.28432 3.610818  72.82155 4.377532  15.46278       5.674574  
1 1 1 30 17 11 o 80.23886 3.149670  64.90410       3.554691  72.65675       7.109383  57.15144       7.109383  85.06985 4.178556  75.40787 4.713953  9.661980       6.299340  
1 1 1 30 17 12 o 115.7255 2.268024  134.4493       3.707171  126.6728       7.414343  142.2258       7.414343  112.3657 3.299204  119.0854 3.113036  -6.719765      4.536048  
1 1 1 30 17 13 f 87.76638 3.142071  77.59328       3.897772  74.61993       7.795544  80.56666       7.795544  86.07247 4.528477  89.46029 4.356986  -3.387817      6.284141  
1 1 1 30 17 14 o 94.90290 3.236431  90.89718       4.336152  84.75986       8.672303  97.03451       8.672303  91.66943 4.730205  98.13638 4.418496  -6.466949      6.472863  
1 1 1 30 17 15 f 142.7131 2.596442  205.1047       5.236737  213.7961       10.47347  196.4134       10.47347  145.7581 3.592759  139.6680 3.749417  6.090088       5.192884  
1 1 1 30 17 16 o 49.66442 7.278657  26.93655       4.946072  29.54301       9.892144  24.33010       9.892144  52.28345 9.821680  47.04539 10.74477  5.238056       14.55731  
1 1 1 30 17 17 o 128.0316 3.654711  166.8704       6.613823  160.6759       13.22765  173.0649       13.22765  125.6124 5.265261  130.4507 5.069978  -4.838272      7.309422  
1 1 1 30 17 18 o 102.9192 4.862619  110.5528       7.052203  120.9072       14.10441  100.1985       14.10441  107.9495 6.532870  97.88889 7.204294  10.06065       9.725238  
1 1 1 30 17 19 o 31.05789 13.25362  4.974662       14.55232  4.974662       14.55232  ?              ?         31.05789 13.25362  ?        ?         ?              ?         
1 1 1 30 18 0  o 337.4143 4.263578  1139.998       28.76155  1139.998       28.76155  1139.998       28.76155  337.4143 4.263578  337.4143 4.263578  0.000000       0.000000  
1 1 1 30 18 1  o 161.3772 1.522862  260.6313       3.473686  250.9059       6.947372  270.3567       6.947372  158.3639 2.193483  164.3904 2.113071  -6.026474      3.045725  
1 1 1 30 18 2  o 87.74846 2.002486  79.10380       2.387266  104.2296       4.774532  53.97794       4.774532  102.0654 2.338956  73.43148 3.251012  28.63395       4.004971  
1 1 1 30 18 3  o 170.0854 1.536737  289.6121       3.692876  274.9787       7.385753  304.2454       7.385753  165.7836 2.227528  174.3871 2.117631  -8.603531      3.073474  
1 1 1 30 18 4  o 89.22308 2.311323  79.95197       2.901886  89.14366       5.803772  70.76028       5.803772  94.37404 3.074878  84.07211 3.451663  10.30193       4.622646  
1 1 1 30 18 5  o 190.5386 1.741817  364.9848       4.660172  415.0412       9.320344  314.9285       9.320344  203.6741 2.288053  177.4031 2.626883  26.27097       3.483633  
1 1 1 30 18 6  f 201.1296 1.861781  404.9537       5.293917  416.9186       10.58783  392.9888       10.58783  204.1041 2.593734  198.1552 2.671601  5.948837       3.723562  
1 1 1 30 18 7  o 128.2831 2.018130  167.2277       3.578516  207.8113       7.157033  126.6442       7.157033  144.1010 2.483339  112.4651 3.181890  31.63592       4.036260  
1 1 1 30 18 8  o 100.1429 2.348920  100.4653       3.325971  102.7525       6.651943  98.17809       6.651943  101.2848 3.283780  99.00090 3.359537  2.283943       4.697840  
1 1 1 30 18 9  o 239.8667 1.853358  576.1650       6.285037  592.8139       12.57007  559.5161       12.57007  243.3371 2.582852  236.3962 2.658688  6.940887       3.706716  
1 1 1 30 18 10 o 145.3828 1.902806  211.6900       3.912067  209.5743       7.824133  213.8056       7.824133  144.6552 2.704408  146.1104 2.677473  -1.455215      3.805612  
1 1 1 30 18 11 f 117.8829 2.467295  140.7248       4.055017  167.8043       8.110033  113.6453       8.110033  129.3687 3.134465  106.3972 3.811207  22.97151       4.934589  
1 1 1 30 18 12 o 45.44870 5.754256  21.70935       3.564222  16.68704       7.128443  26.73166       7.128443  39.57626 9.176802  51.32114 6.944939  -11.74488      11.50851  
1 1 1 30 18 13 o 34.28862 6.613671  11.56942       3.831062  1.734461       7.662123  21.40439       7.662123  23.67516 9.833165  44.90209 8.847114  -21.22693      13.22734  
1 1 1 30 18 14 o 81.08406 3.708283  66.78150       4.226557  75.14407       8.453114  58.41892       8.453114  86.24079 4.900879  75.92732 5.566582  10.31347       7.416566  
1 1 1 30 18 15 o 66.24837 5.455969  45.25799       5.093787  41.01714       10.18757  49.49884       10.18757  63.04764 8.079268  69.44909 7.334563  -6.401447      10.91194  
1 1 1 30 18 16 f 48.87322 7.585429  26.48388       5.127142  20.93742       10.25428  32.03034       10.25428  43.33845 11.59835  54.40799 9.779219  -11.06954      15.17086  
1 1 1 30 18 17 o 49.28296 7.600405  27.65131       5.694177  45.62966       11.38835  9.672954       11.38835  65.78236 8.656086  32.78355 12.49547  32.99882       15.20081  
1 1 1 30 18 18 o 51.85309 8.596035  31.75874       6.318392  40.94090       12.63678  22.57658       12.63678  60.16974 10.90183  43.53644 13.29351  16.63330       17.19207  
1 1 1 30 18 19 o 26.10354 12.11118  -6.937842      15.14318  -6.937842      15.14318  ?              ?         26.10354 12.11118  ?        ?         ?              ?         
1 1 1 30 19 0  o 182.8794 3.183524  334.9224       11.63613  334.9224       11.63613  334.9224       11.63613  182.8794 3.183524  182.8794 3.183524  0.000000       0.000000  
1 1 1 30 19 1  o 285.6693 1.898898  816.9835       7.666887  784.3193       15.33377  849.6475       15.33377  279.9521 2.738642  291.3864 2.631176  -11.43423      3.797796  
1 1 1 30 19 2  o 101.6735 1.901767  104.3964       2.696991  124.2236       5.393982  84.56925       5.393982  111.4239 2.420478  91.92306 2.933966  19.50083       3.803534  
1 1 1 30 19 3  o 137.9602 1.672709  190.5953       3.259262  179.3356       6.518523  201.8550       6.518523  133.8794 2.434475  142.0410 2.294592  -8.161560      3.345418  
1 1 1 30 19 4  o 168.8279 1.750779  285.2521       4.178907  293.2382       8.357814  277.2659       8.357814  171.1930 2.441050  166.4627 2.510417  4.730347       3.501559  
1 1 1 30 19 5  o 251.1116 1.837010  631.0816       6.523287  622.9859       13.04657  639.1774       13.04657  249.4996 2.614548  252.7236 2.581194  -3.223953      3.674020  
1 1 1 30 19 6  o 57.55066 3.533787  33.28354       2.868531  30.50554       5.737062  36.06153       5.737062  55.13713 5.202539  59.96418 4.783741  -4.827045      7.067574  
1 1 1 30 19 7  o 318.4607 2.085463  1016.761       9.372760  1092.386       18.74552  941.1356       18.74552  330.3342 2.837356  306.5871 3.057128  23.74713       4.170926  
1 1 1 30 19 8  o 193.8849 1.796930  376.3065       4.927012  373.9288       9.854024  378.6842       9.854024  193.2717 2.549267  194.4981 2.533193  -1.226364      3.593860  
1 1 1 30 19 9  o 153.1231 1.978999  235.4102       4.269442  211.9568       8.538883  258.8635       8.538883  145.4648 2.935035  160.7814 2.655432  -15.31667      3.957998  
1 1 1 30 19 10 o 83.98290 3.029001  71.30349       3.559456  59.42910       7.118913  83.17787       7.118913  76.91338 4.627877  91.05243 3.909238  -14.13905      6.058002  
1 1 1 30 19 11 o 134.8745 2.176147  182.5853       4.145552  172.0070       8.291104  193.1636       8.291104  130.9530 3.165680  138.7960 2.986794  -7.843063      4.352294  
1 1 1 30 19 12 o 47.11673 5.801396  23.89648       3.640462  32.95475       7.280923  14.83822       7.280923  57.00467 6.386251  37.22879 9.687135  19.77588       11.60279  
1 1 1 30 19 13 o 67.27670 4.383276  46.22528       4.126492  38.62511       8.252983  53.82546       8.252983  61.62825 6.695779  72.92515 5.658531  -11.29690      8.766551  
1 1 1 30 19 14 o 76.45778 4.452626  59.93896       4.769767  50.71869       9.539534  69.15924       9.539534  70.42812 6.772532  82.48743 5.782416  -12.05932      8.905252  
1 1 1 30 19 15 o 56.97162 6.677249  34.69398       5.174792  28.05633       10.34958  41.33163       10.34958  50.71779 10.55243  63.22544 8.184668  -12.50766      13.35450  
1 1 1 30 19 16 o 140.4868 3.049372  199.7298       6.056317  193.6973       12.11263  205.7623       12.11263  138.3398 4.377857  142.6338 4.246062  -4.293991      6.098744  
1 1 1 30 19 17 o 90.41344 5.012633  85.58420       6.332687  100.2175       12.66537  70.95087       12.66537  98.50589 6.428740  82.32100 7.692675  16.18489       10.02527  
1 1 1 30 19 18 o 34.03269 9.614157  10.23046       6.990257  9.520474       13.98051  10.94044       13.98051  33.57694 13.52917  34.48845 13.66344  -0.9115067     19.22831  
1 1 1 30 19 19 o 28.69904 12.70731  2.515921       14.46655  2.515921       14.46655  ?              ?         28.69904 12.70731  ?        ?         ?              ?         
1 1 1 30 20 0  o 146.6954 3.095382  215.5782       9.072563  215.5782       9.072563  215.5782       9.072563  146.6954 3.095382  146.6954 3.095382  0.000000       0.000000  
1 1 1 30 20 1  o 53.63736 3.417503  28.83303       2.592161  28.44706       5.184323  29.21899       5.184323  53.27757 4.865389  53.99715 4.800551  -0.7195816     6.835005  
1 1 1 30 20 2  o 358.7590 2.188746  1288.781       11.09769  1342.215       22.19538  1235.346       22.19538  366.2062 3.030448  351.3119 3.158928  14.89432       4.377493  
1 1 1 30 20 3  o 113.2558 1.897361  128.7313       3.025776  142.5403       6.051552  114.9223       6.051552  119.3521 2.535167  107.1594 2.823622  12.19273       3.794721  
1 1 1 30 20 4  o 200.5928 1.670471  402.7665       4.736412  417.5476       9.472824  387.9855       9.472824  204.2771 2.318621  196.9085 2.405388  7.368668       3.340942  
1 1 1 30 20 5  o 72.61481 2.902158  52.86769       2.978126  50.53761       5.956253  55.19778       5.956253  71.01038 4.193931  74.21922 4.012608  -3.208839      5.804315  
1 1 1 30 20 6  o 297.9437 2.024579  889.0493       8.524589  850.2860       17.04918  927.8126       17.04918  291.4386 2.925004  304.4488 2.800007  -13.01025      4.049159  
1 1 1 30 20 7  o 110.4248 2.374501  122.1699       3.707171  118.9821       7.414343  125.3577       7.414343  108.9814 3.401656  111.8682 3.313874  -2.886841      4.749003  
1 1 1 30 20 8  o 168.3756 1.735014  283.8083       4.131257  281.0779       8.262513  286.5386       8.262513  167.5648 2.465468  169.1864 2.441837  -1.621582      3.470029  
1 1 1 30 20 9  o 89.78925 2.715741  81.07173       3.435566  73.00935       6.871132  89.13412       6.871132  85.29964 4.027645  94.27886 3.644047  -8.979225      5.431483  
1 1 1 30 20 10 o 116.0651 2.399693  135.3832       3.926362  122.9752       7.852723  147.7913       7.852723  110.7198 3.546214  121.4104 3.233957  -10.69061      4.799387  
1 1 1 30 20 11 o 162.7122 2.038193  265.4583       4.688762  272.7106       9.377523  258.2059       9.377523  164.9408 2.842694  160.4836 2.921645  4.457153       4.076385  
1 1 1 30 20 12 o 34.51552 7.126523  12.52719       3.754822  9.596713       7.509643  15.45767       7.509643  31.06559 10.33121  37.96545 9.819140  -6.899858      14.25305  
1 1 1 30 20 13 o 106.7557 3.002102  114.7698       4.531517  112.1205       9.063033  117.4192       9.063033  105.5149 4.294671  107.9966 4.195982  -2.481689      6.004204  
1 1 1 30 20 14 o 82.63431 3.940940  70.22185       4.512457  54.31149       9.024914  86.13218       9.024914  73.00735 6.180825  92.26127 4.890954  -19.25392      7.881880  
1 1 1 30 20 15 o 40.25452 7.035666  15.49579       5.112847  -1.963181      10.22569  32.95475       10.22569  24.31162 10.73446  56.19741 9.098013  -31.88579      14.07133  
1 1 1 30 20 16 o 36.35226 7.026156  7.624003       5.470222  31.71585       10.94044  -16.46785      10.94044  53.60591 10.58118  19.09862 9.246949  34.50729       14.05231  
1 1 1 30 20 17 o 55.66434 8.853151  35.94241       6.818718  40.60735       13.63744  31.27747       13.63744  59.75541 11.83187  51.57327 13.17270  8.182133       17.70630  
1 1 1 30 20 18 o 91.35643 5.558594  89.41050       7.095088  104.4012       14.19018  74.41980       14.19018  99.56094 7.126377  83.15192 8.532681  16.40902       11.11719  
1 1 1 30 21 0  o 174.9733 3.125823  306.5993       10.93091  306.5993       10.93091  306.5993       10.93091  174.9733 3.125823  174.9733 3.125823  0.000000       0.000000  
1 1 1 30 21 1  o 93.40823 2.097753  87.88570       2.744641  101.8376       5.489282  73.93377       5.489282  100.8765 2.720794  85.93997 3.193672  14.93651       4.195505  
1 1 1 30 21 2  o 284.8420 1.864540  812.0517       7.509643  829.0627       15.01929  795.0406       15.01929  287.8281 2.609072  281.8560 2.664355  5.972107       3.729081  
1 1 1 30 21 3  o 203.9677 1.681899  416.3515       4.850772  408.0080       9.701544  424.6951       9.701544  201.9224 2.402295  206.0131 2.354594  -4.090622      3.363798  
1 1 1 30 21 4  o 159.7579 1.870864  255.4660       4.226557  251.8399       8.453114  259.0922       8.453114  158.6230 2.664530  160.8928 2.626940  -2.269791      3.741729  
1 1 1 30 21 5  o 289.2267 1.989272  837.5443       8.133858  862.9990       16.26772  812.0898       16.26772  293.6271 2.770132  284.8262 2.855727  8.800903       3.978543  
1 1 1 30 21 6  o 139.8261 1.832438  196.1275       3.611871  214.2535       7.223743  178.0014       7.223743  146.3078 2.468680  133.3445 2.708677  12.96329       3.664876  
1 1 1 30 21 7  o 155.2070 1.819385  241.3616       3.988307  227.2048       7.976613  255.5185       7.976613  150.6464 2.647462  159.7677 2.496316  -9.121246      3.638770  
1 1 1 30 21 8  o 27.24373 6.542327  7.009318       3.011481  7.033143       6.022963  6.985494       6.022963  27.27285 9.252248  27.21461 9.252248  0.5824661E-01  13.08465  
1 1 1 30 21 9  o 76.89235 3.244967  60.69659       3.411741  78.38428       6.823483  43.00891       6.823483  88.39394 3.859700  65.39076 5.217467  23.00318       6.489935  
1 1 1 30 21 10 o 75.91931 3.730989  59.68641       3.840591  78.95608       7.681183  40.41675       7.681183  88.61019 4.334255  63.22842 6.074154  25.38177       7.461977  
1 1 1 30 21 11 o 58.76913 4.877103  35.25148       4.021661  30.24823       8.043323  40.25474       8.043323  54.51242 7.377514  63.02583 6.380974  -8.513401      9.754207  
1 1 1 30 21 12 o 180.0310 2.094769  325.2257       5.332037  333.4644       10.66407  316.9870       10.66407  182.3191 2.924563  177.7429 2.999860  4.576263       4.189538  
1 1 1 30 21 13 o 124.4577 2.695629  156.0443       4.736412  166.5368       9.472824  145.5517       9.472824  128.6730 3.680968  120.2424 3.939053  8.430595       5.391258  
1 1 1 30 21 14 o 71.72993 4.733479  53.36802       4.683997  66.58614       9.367994  40.14991       9.367994  80.94373 5.786732  62.51612 7.492463  18.42761       9.466957  
1 1 1 30 21 15 o 145.4557 2.797933  214.1773       5.722767  240.2609       11.44553  188.0937       11.44553  154.4218 3.705931  136.4895 4.192827  17.93237       5.595867  
1 1 1 30 21 16 o 131.4756 3.342203  175.4569       6.213562  178.5542       12.42712  172.3596       12.42712  132.6535 4.684055  130.2977 4.768743  2.355774       6.684406  
1 1 1 30 21 17 o 53.49511 9.033847  33.86011       6.766303  37.68163       13.53261  30.03857       13.53261  56.88909 12.24449  50.10113 13.28586  6.787964       18.06769  
1 1 1 30 21 18 o 79.13127 6.427634  68.07758       7.176094  73.04749       14.35219  63.10768       14.35219  82.27156 8.722447  75.99099 9.443348  6.280571       12.85527  
1 1 1 30 22 0  o 169.8499 3.144476  288.9593       10.67360  288.9593       10.67360  288.9593       10.67360  169.8499 3.144476  169.8499 3.144476  0.000000       0.000000  
1 1 1 30 22 1  o 301.1544 1.921230  908.1855       8.176744  869.0505       16.35349  947.3206       16.35349  294.6569 2.775005  307.6519 2.657791  -12.99496      3.842461  
1 1 1 30 22 2  o 110.0606 2.045457  122.3700       3.140136  99.15969       6.280273  145.5803       6.280273  99.51622 3.155402  120.6049 2.603656  -21.08868      4.090915  
1 1 1 30 22 3  o 99.52682 2.190594  99.18352       3.082956  100.9132       6.165912  97.45382       6.165912  100.3958 3.070802  98.65787 3.124897  1.737915       4.381187  
1 1 1 30 22 4  o 79.61528 2.802160  64.48000       3.082956  80.19498       6.165912  48.76503       6.165912  89.48460 3.445237  69.74596 4.420265  19.73864       5.604320  
1 1 1 30 22 5  o 193.5552 1.749755  375.0104       4.788827  382.6583       9.577654  367.3626       9.577654  195.5308 2.449142  191.5796 2.499654  3.951248       3.499509  
1 1 1 30 22 6  o 134.4436 1.896666  181.2464       3.597576  195.6605       7.195153  166.8322       7.195153  139.8043 2.573295  129.0829 2.787027  10.72134       3.793332  
1 1 1 30 22 7  o 62.83576 3.706194  40.18326       3.230671  49.11764       6.461343  31.24888       6.461343  69.94508 4.618869  55.72645 5.797375  14.21862       7.412389  
1 1 1 30 22 8  f 84.93008 2.977406  72.43279       3.573751  69.38795       7.147503  75.47763       7.147503  83.13753 4.298602  86.72264 4.120898  -3.585114      5.954812  
1 1 1 30 22 9  o 51.23882 5.340847  27.18910       3.730997  31.92551       7.461993  22.45269       7.461993  56.18961 6.640012  46.28802 8.367127  9.901585       10.68169  
1 1 1 30 22 10 o 119.0559 2.373186  143.5171       3.940656  116.2660       7.881313  170.7682       7.881313  107.6113 3.661936  130.5006 3.019647  -22.88928      4.746371  
1 1 1 30 22 11 o 108.4026 2.786724  118.7200       4.240851  135.1736       8.481703  102.2665       8.481703  115.9917 3.656169  100.8135 4.206632  15.17819       5.573449  
1 1 1 30 22 12 o 176.6673 2.135395  313.8612       5.317742  343.0229       10.63548  284.6993       10.63548  184.9207 2.875689  168.4140 3.157541  16.50662       4.270791  
1 1 1 30 22 13 o 157.8664 2.358712  250.9155       5.255797  268.8224       10.51159  233.0086       10.51159  163.5379 3.213810  152.1948 3.453335  11.34305       4.717425  
1 1 1 30 22 14 o 59.59048 6.464629  39.02536       4.993722  23.36757       9.987444  54.68316       9.987444  46.09061 10.97661  73.09035 6.832259  -26.99975      12.92926  
1 1 1 30 22 15 o 34.66264 8.731427  11.95539       5.413042  13.63744       10.82608  10.27334       10.82608  36.12159 12.40206  33.20368 12.29391  2.917908       17.46285  
1 1 1 30 22 16 o 72.74606 5.812986  56.03165       5.913367  46.86856       11.82673  65.19476       11.82673  66.44806 8.899233  79.04406 7.481102  -12.59600      11.62597  
1 1 1 30 22 17 f 40.96252 9.531397  19.63181       6.432753  17.03965       12.86551  22.22397       12.86551  38.74535 13.49879  43.17971 13.46005  -4.434361      19.06279  
1 1 1 30 22 18 o 35.79041 14.16741  13.31342       15.01929  13.31342       15.01929  ?              ?         35.79041 14.16741  ?        ?         ?              ?         
1 1 1 30 23 0  o 16.17127 10.45714  0.3144901      7.681183  0.3144901      7.681183  0.3144901      7.681183  16.17127 10.45714  16.17127 10.45714  0.000000       0.000000  
1 1 1 30 23 1  o 46.86622 4.694669  22.88630       2.925711  16.22007       5.851423  29.55254       5.851423  39.46887 7.686975  54.26357 5.391668  -14.79470      9.389338  
1 1 1 30 23 2  o 187.3182 1.677935  352.0908       4.426687  388.8813       8.853374  315.3002       8.853374  197.1385 2.245470  177.4979 2.493938  19.64069       3.355870  
1 1 1 30 23 3  o 177.9193 1.736589  316.8059       4.369507  318.0353       8.739014  315.5765       8.739014  178.2647 2.451134  177.5738 2.460671  0.6909637      3.473177  
1 1 1 30 23 4  o 215.0857 1.763928  463.0533       5.365392  460.2801       10.73078  465.8266       10.73078  214.4410 2.502037  215.7303 2.487083  -1.289368      3.527856  
1 1 1 30 23 5  o 110.6540 2.195194  122.7369       3.430801  129.9130       6.861602  115.5608       6.861602  113.8966 3.012208  107.4114 3.194076  6.485153       4.390389  
1 1 1 30 23 6  o 102.2695 2.455438  104.8443       3.549927  101.4564       7.099854  108.2322       7.099854  100.6132 3.528292  103.9259 3.415825  -3.312729      4.910876  
1 1 1 30 23 7  o 168.5084 1.927545  284.3944       4.593462  283.6796       9.186924  285.1091       9.186924  168.2963 2.729389  168.7205 2.722528  -0.4241638     3.855090  
1 1 1 30 23 8  o 90.57130 2.955696  83.13975       3.730997  99.31217       7.461993  66.96734       7.461993  99.49930 3.749772  81.64330 4.569875  17.85600       5.911392  
1 1 1 30 23 9  o 91.25372 3.066661  84.57402       3.897772  101.3421       7.795544  67.80598       7.795544  100.4413 3.880646  82.06612 4.749550  18.37520       6.133322  
1 1 1 30 23 10 o 82.99226 3.449511  70.03123       3.993072  56.81788       7.986144  83.24458       7.986144  75.03167 5.321849  90.95285 4.390266  -15.92118      6.899023  
1 1 1 30 23 11 o 101.9527 3.225401  105.7116       4.583931  126.0724       9.167863  85.35071       9.167863  111.9381 4.095058  91.96724 4.984310  19.97089       6.450802  
1 1 1 30 23 12 o 37.69547 7.327626  15.17177       4.188437  9.606244       8.376874  20.73729       8.376874  31.50956 10.90056  43.88138 9.795626  -12.37182      14.65525  
1 1 1 30 23 13 o 105.4122 3.439596  112.4111       5.127142  114.1123       10.25428  110.7101       10.25428  106.2191 4.826948  104.6054 4.901414  1.613770       6.879192  
1 1 1 30 23 14 o 143.8250 2.954095  208.9691       5.999137  195.5557       11.99827  222.3826       11.99827  139.1618 4.310906  148.4881 4.040147  -9.326263      5.908189  
1 1 1 30 23 15 o 46.51997 8.491835  24.43493       6.127792  11.15010       12.25558  37.71975       12.25558  34.62399 13.02826  58.41594 10.89539  -23.79195      16.98367  
1 1 1 30 23 16 o 71.47995 6.292959  54.28767       6.351747  51.03318       12.70349  57.54216       12.70349  69.20344 9.178370  73.75645 8.611786  -4.553017      12.58592  
1 1 1 30 23 17 o 50.79461 9.229841  31.36324       6.728183  26.05503       13.45637  36.67145       13.45637  46.05312 13.64953  55.53610 12.42780  -9.482979      18.45968  
1 1 1 30 23 18 o 27.22028 12.50889  -2.392031      15.67686  -2.392031      15.67686  ?              ?         27.22028 12.50889  ?        ?         ?              ?         
1 1 1 30 24 0  o 120.4732 3.801395  145.7138       9.139274  145.7138       9.139274  145.7138       9.139274  120.4732 3.801395  120.4732 3.801395  0.000000       0.000000  
1 1 1 30 24 1  o 60.07449 3.382955  36.29026       2.863766  39.82589       5.727532  32.75462       5.727532  63.01719 4.544420  57.13178 5.012562  5.885410       6.765910  
1 1 1 30 24 2  o 131.5409 1.868763  173.4556       3.468921  186.5689       6.937842  160.3423       6.937842  136.5254 2.540862  126.5564 2.741008  9.968987       3.737527  
1 1 1 30 24 3  o 45.60988 5.031180  22.45746       2.954301  32.57355       5.908603  12.34135       5.908603  56.95392 5.187178  34.26584 8.622313  22.68808       10.06236  
1 1 1 30 24 4  o 71.35074 3.089083  51.28095       3.097251  57.91384       6.194502  44.64807       6.194502  75.99882 4.075394  66.70265 4.643371  9.296165       6.178165  
1 1 1 30 24 5  o 183.4445 1.877477  337.2049       4.865067  355.9552       9.730133  318.4546       9.730133  188.5552 2.580182  178.3339 2.728066  10.22122       3.754955  
1 1 1 30 24 6  o 164.2650 1.982298  270.3471       4.602992  279.5341       9.205984  261.1602       9.205984  167.0614 2.755270  161.4686 2.850704  5.592743       3.964597  
1 1 1 30 24 7  o 310.6088 2.147214  967.4622       9.420408  1022.722       18.84082  912.2025       18.84082  319.5042 2.948446  301.7134 3.122303  17.79077       4.294428  
1 1 1 30 24 8  o 100.8923 2.688712  102.2093       3.835827  100.2842       7.671653  104.1344       7.671653  99.93826 3.838196  101.8463 3.766290  -1.908035      5.377424  
1 1 1 30 24 9  o 68.21528 4.379494  47.70243       4.136022  58.77154       8.272044  36.63334       8.272044  76.32864 5.418703  60.10192 6.881680  16.22672       8.758987  
1 1 1 30 24 10 o 30.76257 7.497402  9.082093       3.959717  9.139274       7.919433  9.024914       7.919433  30.82353 10.60496  30.70160 10.60090  0.1219292      14.99480  
1 1 1 30 24 11 o 161.0622 2.371254  260.5884       5.398747  269.5371       10.79749  251.6397       10.79749  163.8403 3.295129  158.2842 3.410793  5.556046       4.742508  
1 1 1 30 24 12 o 111.0170 2.959254  124.2855       4.645877  122.9561       9.291754  125.6150       9.291754  110.4182 4.207527  111.6158 4.162384  -1.197517      5.918507  
1 1 1 30 24 13 o 86.11827 4.229598  75.47286       5.150967  76.30675       10.30193  74.63898       10.30193  86.60242 5.947833  85.63412 6.015087  0.9682922      8.459196  
1 1 1 30 24 14 o 190.3072 2.615510  365.3231       7.028378  388.5764       14.05676  342.0699       14.05676  196.4166 3.578302  184.1978 3.815668  12.21877       5.231019  
1 1 1 30 24 15 o 108.4122 3.896134  120.2591       5.946723  133.1151       11.89345  107.4031       11.89345  114.3414 5.200846  102.4830 5.802641  11.85842       7.792268  
1 1 1 30 24 16 f 53.24468 8.374861  33.08341       6.480402  47.23070       12.96080  18.93612       12.96080  66.02273 9.815412  40.46664 13.57243  25.55609       16.74972  
1 1 1 30 24 17 o 90.60860 6.068526  89.97753       7.490582  115.8563       14.98116  64.09881       14.98116  104.8891 7.141431  76.32810 9.813663  28.56100       12.13705  
1 1 1 30 25 0  o 125.6871 3.928507  158.6269       9.854024  158.6269       9.854024  158.6269       9.854024  125.6871 3.928507  125.6871 3.928507  0.000000       0.000000  
1 1 1 30 25 1  o 119.8023 1.938359  144.6988       3.249731  120.6784       6.499463  168.7192       6.499463  109.7773 2.960295  129.8273 2.503119  -20.05001      3.876719  
1 1 1 30 25 2  o 33.96812 6.394558  12.08881       3.149666  10.14945       6.299332  14.02816       6.299332  31.43077 9.343799  36.50547 8.732406  -5.074701      12.78912  
1 1 1 30 25 3  o 79.85179 2.686891  63.97015       3.030541  67.60585       6.061082  60.33445       6.061082  82.12833 3.690007  77.57526 3.906582  4.553070       5.373783  
1 1 1 30 25 4  o 59.99646 4.016892  36.38555       3.383151  41.43645       6.766303  31.33465       6.766303  64.20580 5.269231  55.78712 6.064395  8.418671       8.033784  
1 1 1 30 25 5  f 86.97414 2.948524  75.92554       3.626166  77.40269       7.252333  74.44839       7.252333  87.82332 4.128933  86.12495 4.210356  1.698372       5.897049  
1 1 1 30 25 6  o 199.2158 1.909707  397.7443       5.374923  418.2147       10.74985  377.2738       10.74985  204.3535 2.630208  194.0780 2.769465  10.27553       3.819415  
1 1 1 30 25 7  f 74.95415 3.719610  56.64635       3.935891  52.79622       7.871783  60.49646       7.871783  72.38583 5.437378  77.52247 5.077098  -5.136642      7.439221  
1 1 1 30 25 8  o 84.10661 3.484754  71.57033       4.116962  62.06891       8.233924  81.07175       8.233924  78.45818 5.247333  89.75505 4.586886  -11.29687      6.969507  
1 1 1 30 25 9  o 36.68887 6.971940  14.07105       3.993072  21.77606       7.986144  6.366043       7.986144  45.26455 9.141729  28.11320 10.52903  17.15136       13.94388  
1 1 1 30 25 10 o 39.97147 7.124002  17.14924       4.293266  8.605594       8.586533  25.69289       8.586533  30.71974 10.99519  49.22321 9.061536  -18.50347      14.24800  
1 1 1 30 25 11 o 179.6349 2.277909  324.6301       5.770417  352.7245       11.54083  296.5356       11.54083  187.4548 3.078298  171.8151 3.358505  15.63974       4.555817  
1 1 1 30 25 12 o 186.9947 2.312067  351.5523       6.113498  345.1291       12.22700  357.9755       12.22700  185.2772 3.299649  188.7122 3.239588  -3.434967      4.624134  
1 1 1 30 25 13 o 77.52727 4.862259  61.70678       5.312977  67.41525       10.62595  55.99829       10.62595  81.20885 6.542362  73.84567 7.194703  7.363182       9.724518  
1 1 1 30 25 14 o 75.26003 5.453632  58.80013       5.803772  57.76134       11.60754  59.83890       11.60754  74.56990 7.782997  75.95014 7.641556  -1.380241      10.90726  
1 1 1 30 25 15 o 51.51167 8.653593  30.87245       6.313628  38.90148       12.62726  22.84342       12.62726  58.82676 11.13741  44.19658 13.24752  14.63018       17.30719  
1 1 1 30 25 16 o 73.45473 6.598160  58.28074       6.833013  53.37755       13.66603  63.18392       13.66603  70.11716 9.745135  76.79228 8.898046  -6.675117      13.19632  
1 1 1 30 25 17 o 64.55394 8.307461  48.93180       7.304748  49.74662       14.60950  48.11699       14.60950  65.19347 11.62238  63.91441 11.87333  1.279060       16.61492  
1 1 1 30 26 0  o 109.4715 4.262312  120.5736       9.301284  120.5736       9.301284  120.5736       9.301284  109.4715 4.262312  109.4715 4.262312  0.000000       0.000000  
1 1 1 30 26 1  o 72.59988 3.039434  53.24890       3.087722  62.10704       6.175443  44.39076       6.175443  78.70055 3.923380  66.49923 4.643244  12.20132       6.078867  
1 1 1 30 26 2  o 154.2677 1.937480  238.3311       4.226557  242.0812       8.453114  234.5810       8.453114  155.4831 2.718338  153.0522 2.761512  2.430878       3.874959  
1 1 1 30 26 3  o 109.2749 2.265165  119.8303       3.492747  110.6243       6.985494  129.0363       6.985494  105.0626 3.324443  113.4872 3.077657  -8.424606      4.530330  
1 1 1 30 26 4  o 94.56757 2.664229  89.75834       3.559456  94.43282       7.118913  85.08387       7.118913  97.03906 3.668066  92.09607 3.864938  4.942993       5.328457  
1 1 1 30 26 5  o 41.84912 6.369283  18.65498       3.835827  27.95150       7.671653  9.358463       7.671653  52.57295 7.296198  31.12528 10.44206  21.44767       12.73857  
1 1 1 30 26 6  o 86.52547 3.083215  75.33468       3.764351  69.54996       7.528703  81.11939       7.528703  83.18268 4.525403  89.86825 4.188745  -6.685570      6.166430  
1 1 1 30 26 7  o 214.3551 1.967842  460.7852       5.961017  481.1127       11.92203  440.4577       11.92203  219.0967 2.720725  209.6136 2.843812  9.483093       3.935684  
1 1 1 30 26 8  o 58.54049 4.806474  34.77498       3.978776  35.36584       7.957553  34.18413       7.957553  59.04515 6.738533  58.03583 6.855725  1.009323       9.612948  
1 1 1 30 26 9  o 159.4204 2.329337  255.2945       5.246267  268.5174       10.49253  242.0716       10.49253  163.5676 3.207400  155.2733 3.378732  8.294342       4.658674  
1 1 1 30 26 10 o 63.95521 5.263929  41.81289       4.750707  44.92443       9.501413  38.70134       9.501413  66.38781 7.155993  61.52261 7.721889  4.865204       10.52786  
1 1 1 30 26 11 o 34.91138 8.006598  12.11740       4.774532  5.899073       9.549064  18.33573       9.549064  28.91602 11.34272  40.90674 11.30333  -11.99072      16.01320  
1 1 1 30 26 12 o 99.70634 3.660148  100.8417       5.150967  93.67042       10.30193  108.0131       10.30193  96.11012 5.359443  103.3026 4.986292  -7.192444      7.320296  
1 1 1 30 26 13 o 94.42601 3.932714  90.66846       5.251032  92.29808       10.50206  89.03882       10.50206  95.28893 5.510643  93.56310 5.612289  1.725830       7.865429  
1 1 1 30 26 14 o 166.3654 2.860075  280.2869       6.709123  304.9124       13.41825  255.6614       13.41825  173.7664 3.861001  158.9643 4.220521  14.80206       5.720151  
1 1 1 30 26 15 o 38.03490 9.338826  15.75310       6.184973  18.58351       12.36995  12.92269       12.36995  40.38985 13.25945  35.67995 13.15453  4.709896       18.67765  
1 1 1 30 26 16 o 45.81894 9.574985  25.71195       6.880662  17.99265       13.76132  33.43126       13.76132  39.21706 13.93118  52.42081 13.13938  -13.20375      19.14997  
1 1 1 30 26 17 o 71.28088 8.087557  61.61147       7.828898  72.16119       15.65780  51.06176       15.65780  79.19176 9.886001  63.37001 12.80239  15.82175       16.17511  
1 1 1 30 27 0  o 29.64814 14.03691  13.16094       9.367994  13.16094       9.367994  13.16094       9.367994  29.64814 14.03691  29.64814 14.03691  0.000000       0.000000  
1 1 1 30 27 1  o 139.5467 2.008870  195.0601       3.964482  195.2317       7.928963  194.8886       7.928963  139.6082 2.839720  139.4853 2.842222  0.1229248      4.017740  
1 1 1 30 27 2  o 173.2965 1.863426  300.8431       4.564872  311.0593       9.129744  290.6270       9.129744  176.2441 2.590085  170.3489 2.679719  5.895187       3.726853  
1 1 1 30 27 3  o 217.4728 1.876718  473.7270       5.770417  486.1159       11.54083  461.3380       11.54083  220.3212 2.619094  214.6244 2.688612  5.696808       3.753437  
1 1 1 30 27 4  o 159.5079 1.970501  255.1944       4.436216  236.6967       8.872433  273.6922       8.872433  153.7095 2.886104  165.3063 2.683635  -11.59676      3.941002  
1 1 1 30 27 5  o 207.6762 2.017442  432.5431       5.918132  456.8684       11.83626  408.2177       11.83626  213.5328 2.771533  201.8197 2.932386  11.71312       4.034883  
1 1 1 30 27 6  o 110.4828 2.563697  122.6130       4.002602  128.1404       8.005203  117.0856       8.005203  112.9843 3.542618  107.9813 3.706753  5.002945       5.127393  
1 1 1 30 27 7  o 146.4961 2.219918  215.2876       4.598227  210.3081       9.196454  220.2670       9.196454  144.7966 3.175646  148.1956 3.102809  -3.399017      4.439837  
1 1 1 30 27 8  o 76.28218 4.240041  60.91102       4.336152  82.80621       8.672303  39.01583       8.672303  90.63362 4.784264  61.93074 7.001615  28.70288       8.480082  
1 1 1 30 27 9  o 24.21055 7.198075  -0.7623994E-01 4.374272  -5.298682      8.748544  5.146202       8.748544  20.72593 9.452335  27.69517 10.85829  -6.969238      14.39615  
1 1 1 30 27 10 o 125.9967 2.799123  160.2613       4.965132  177.6965       9.930264  142.8262       9.930264  132.9156 3.735553  119.0778 4.169653  13.83778       5.598247  
1 1 1 30 27 11 o 42.32761 6.945145  18.51204       4.955602  35.55644       9.911204  1.467621       9.911204  58.60545 8.455873  26.04976 11.01991  32.55569       13.89029  
1 1 1 30 27 12 o 74.74789 5.126565  57.43256       5.413042  54.34008       10.82608  60.52505       10.82608  72.67928 7.447848  76.81650 7.046718  -4.137215      10.25313  
1 1 1 30 27 13 o 76.71077 5.647981  62.44058       5.908603  80.71914       11.81721  44.16204       11.81721  88.62471 6.666992  64.79683 9.118660  23.82788       11.29596  
1 1 1 30 27 14 o 143.6867 3.109559  209.4266       6.318392  211.9187       12.63678  206.9345       12.63678  144.5539 4.370960  142.8195 4.424041  1.734406       6.219118  
1 1 1 30 27 15 o 23.26641 7.753647  -11.20728      6.618587  -8.138623      13.23717  -14.27595      13.23717  24.31494 11.29749  22.21789 10.62276  2.097048       15.50729  
1 1 1 30 27 16 o 54.06255 9.289945  35.72799       7.114148  28.48518       14.22830  42.97079       14.22830  47.80498 13.99542  60.32012 12.22050  -12.51514      18.57989  
1 1 1 30 28 0  o 345.3872 4.430187  1195.996       30.59131  1195.996       30.59131  1195.996       30.59131  345.3872 4.430187  345.3872 4.430187  0.000000       0.000000  
1 1 1 30 28 1  o 159.6250 1.856877  255.8901       4.174142  228.8726       8.348284  282.9077       8.348284  151.1622 2.761366  168.0878 2.483310  -16.92564      3.713754  
1 1 1 30 28 2  o 31.33487 6.521527  9.382290       3.445096  16.29631       6.890193  2.468271       6.890193  39.25984 8.967970  23.40989 9.470838  15.84995       13.04305  
1 1 1 30 28 3  o 185.4256 1.985972  344.8861       5.198617  368.5252       10.39723  321.2469       10.39723  191.7999 2.710438  179.0513 2.903424  12.74861       3.971945  
1 1 1 30 28 4  o 88.84200 3.090097  79.39922       3.878712  83.39706       7.757423  75.40139       7.757423  91.09196 4.258018  86.59203 4.479294  4.499931       6.180193  
1 1 1 30 28 5  o 46.53588 6.085771  22.57658       3.912067  24.94002       7.824133  20.21314       7.824133  49.47253 7.907553  43.59922 9.252947  5.873314       12.17154  
1 1 1 30 28 6  o 242.4206 2.010311  589.5022       6.885427  619.2310       13.77085  559.7733       13.77085  248.5523 2.770213  236.2890 2.913986  12.26332       4.020621  
1 1 1 30 28 7  o 62.13560 4.792000  39.30650       4.197967  35.81376       8.395933  42.79925       8.395933  59.32501 7.076217  64.94618 6.463762  -5.621170      9.584001  
1 1 1 30 28 8  o 59.45699 5.239775  36.09013       4.402863  34.58438       8.805723  37.59586       8.805723  58.19074 7.566258  60.72323 7.250705  -2.532486      10.47955  
1 1 1 30 28 9  o 97.87492 3.664070  97.04402       5.050902  107.0601       10.10180  87.02800       10.10180  102.9917 4.904185  92.75818 5.445236  10.23350       7.328139  
1 1 1 30 28 10 o 33.65826 8.523401  10.83085       5.160498  11.47412       10.32100  10.18757       10.32100  34.21890 12.07390  33.09761 12.03388  1.121284       17.04680  
1 1 1 30 28 11 o 117.7367 3.077243  139.9386       5.122376  143.6553       10.24475  136.2219       10.24475  119.3151 4.293150  116.1583 4.409824  3.156784       6.154485  
1 1 1 30 28 12 o 176.1013 2.630915  312.4602       6.551878  309.1438       13.10376  315.7767       13.10376  175.1597 3.740516  177.0430 3.700727  -1.883270      5.261829  
1 1 1 30 28 13 o 81.05402 5.381994  69.23071       6.008667  86.62774       12.01733  51.83369       12.01733  91.78576 6.546405  70.32227 8.544474  21.46349       10.76399  
1 1 1 30 28 14 o 82.41202 6.181444  74.62469       6.709123  104.0962       13.41825  45.15316       13.41825  100.2926 6.689548  64.53141 10.39668  35.76122       12.36289  
1 1 1 30 28 15 o 33.42813 9.687458  8.462644       7.338103  11.18822       14.67621  5.737062       14.67621  35.02588 13.96045  31.83039 13.43478  3.195490       19.37492  
1 1 1 30 28 16 o 49.99942 14.67206  32.71650       15.61968  32.71650       15.61968  ?              ?         49.99942 14.67206  ?        ?         ?              ?         
1 1 1 30 29 0  o 37.89963 14.66453  19.99395       10.51159  19.99395       10.51159  19.99395       10.51159  37.89963 14.66453  37.89963 14.66453  0.000000       0.000000  
1 1 1 30 29 1  o 114.8318 2.283516  132.2621       3.707171  136.1075       7.414343  128.4168       7.414343  116.5061 3.181954  113.1575 3.276117  3.348679       4.567031  
1 1 1 30 29 2  o 169.3146 2.037552  289.0069       4.836477  245.3023       9.672954  332.7115       9.672954  156.4083 3.092213  182.2209 2.654183  -25.81265      4.075104  
1 1 1 30 29 3  o 158.1324 1.979645  250.6677       4.426687  246.5412       8.853374  254.7942       8.853374  156.8277 2.822644  159.4372 2.776446  -2.609512      3.959289  
1 1 1 30 29 4  o 149.5645 2.145392  224.6746       4.526752  242.7482       9.053504  206.6010       9.053504  155.6066 2.909101  143.5224 3.154039  12.08418       4.290784  
1 1 1 30 29 5  o 55.79475 5.508226  31.83498       4.321856  28.01821       8.643713  35.65174       8.643713  52.37438 8.251852  59.21511 7.298572  -6.840725      11.01645  
1 1 1 30 29 6  o 124.7856 2.686652  156.7114       4.731647  145.2754       9.463295  168.1474       9.463295  120.2034 3.936368  129.3679 3.657513  -9.164528      5.373304  
1 1 1 30 29 7  o 102.4966 3.164580  105.8783       4.583931  101.3516       9.167863  110.4051       9.167863  100.2884 4.570752  104.7048 4.377956  -4.416489      6.329160  
1 1 1 30 29 8  o 85.22723 3.800597  73.44774       4.579167  71.17960       9.158334  75.71588       9.158334  83.89659 5.458108  86.55788 5.290295  -2.661285      7.601195  
1 1 1 30 29 9  o 61.45925 5.873217  40.40246       4.760237  27.74184       9.520474  53.06306       9.520474  50.80795 9.716043  72.11055 6.601305  -21.30260      11.74643  
1 1 1 30 29 10 o 114.4121 3.422035  132.3908       5.536932  132.8768       11.07386  131.9048       11.07386  114.6245 4.830495  114.1997 4.848464  0.4248047      6.844070  
1 1 1 30 29 11 o 68.95648 5.957511  52.16724       5.184323  74.50557       10.36865  29.82891       10.36865  85.49805 6.063673  52.41492 10.25669  33.08314       11.91502  
1 1 1 30 29 12 o 32.99565 8.726468  8.624654       5.818067  16.01994       11.63613  1.229370       11.63613  38.48039 12.86014  27.51091 11.79923  10.96947       17.45294  
1 1 1 30 29 13 o 58.35490 7.790480  39.94501       6.251682  16.96341       12.50336  62.92661       12.50336  39.20095 13.33078  77.50886 8.065765  -38.30791      15.58096  
1 1 1 30 29 14 o 31.80241 8.753689  3.688111       6.618587  19.05048       13.23717  -11.67426      13.23717  40.53413 13.71639  23.07070 10.87975  17.46343       17.50738  
1 1 1 30 29 15 o 32.38046 13.37815  7.881313       14.06629  7.881313       14.06629  ?              ?         32.38046 13.37815  ?        ?         ?              ?         
1 1 1 30 30 0  o 144.2355 5.948605  209.6505       17.09683  209.6505       17.09683  209.6505       17.09683  144.2355 5.948605  144.2355 5.948605  0.000000       0.000000  
1 1 1 30 30 1  o 27.55879 14.55609  11.47412       10.59736  11.47412       10.59736  11.47412       10.59736  27.55879 14.55609  27.55879 14.55609  0.000000       0.000000  
1 1 1 30 30 2  o 112.7778 5.135252  128.4740       11.53130  128.4740       11.53130  128.4740       11.53130  112.7778 5.135252  112.7778 5.135252  0.000000       0.000000  
1 1 1 30 30 3  o 73.80667 7.968780  56.86554       11.52177  56.86554       11.52177  56.86554       11.52177  73.80667 7.968780  73.80667 7.968780  0.000000       0.000000  
1 1 1 30 30 4  o 129.8129 5.063914  170.0058       13.10376  170.0058       13.10376  170.0058       13.10376  129.8129 5.063914  129.8129 5.063914  0.000000       0.000000  
1 1 1 30 30 5  o 19.69541 12.99099  -0.9720604     12.61772  -0.9720604     12.61772  -0.9720604     12.61772  19.69541 12.99099  19.69541 12.99099  0.000000       0.000000  
1 1 1 30 30 6  o 141.2611 5.074083  201.2641       14.29501  201.2641       14.29501  201.2641       14.29501  141.2611 5.074083  141.2611 5.074083  0.000000       0.000000  
1 1 1 30 30 7  o 83.85919 8.070095  73.09513       13.30389  73.09513       13.30389  73.09513       13.30389  83.85919 8.070095  83.85919 8.070095  0.000000       0.000000  
1 1 1 30 30 8  o 22.72498 14.23620  4.269442       13.02751  4.269442       13.02751  4.269442       13.02751  22.72498 14.23620  22.72498 14.23620  0.000000       0.000000  
1 1 1 30 30 9  o 90.43889 8.072278  85.00764       14.38078  85.00764       14.38078  85.00764       14.38078  90.43889 8.072278  90.43889 8.072278  0.000000       0.000000  
1 1 1 30 30 10 o 34.38151 17.90457  18.91706       15.85793  18.91706       15.85793  18.91706       15.85793  34.38151 17.90457  34.38151 17.90457  0.000000       0.000000  
1 1 1 30 30 11 f 90.33888 9.947124  86.73257       17.59239  86.73257       17.59239  86.73257       17.59239  90.33888 9.947124  90.33888 9.947124  0.000000       0.000000  
1 1 1 30 30 12 o 40.94758 19.06368  27.01756       17.23025  27.01756       17.23025  27.01756       17.23025  40.94758 19.06368  40.94758 19.06368  0.000000       0.000000  
1 1 1 30 30 13 o 142.1618 6.644204  206.8678       18.80270  206.8678       18.80270  206.8678       18.80270  142.1618 6.644204  142.1618 6.644204  0.000000       0.000000  
1 1 1 30 30 14 o 23.23851 15.73379  -3.697641      20.81353  -3.697641      20.81353  -3.697641      20.81353  23.23851 15.73379  23.23851 15.73379  0.000000       0.000000  
1 1 1 31 0  1  o 113.2507 2.510403  128.4740       5.679882  128.4740       5.679882  128.4740       5.679882  113.2507 2.510403  113.2507 2.510403  0.000000       0.000000  
1 1 1 31 0  2  f 205.1990 2.899323  421.4453       11.89345  421.4453       11.89345  421.4453       11.89345  205.1990 2.899323  205.1990 2.899323  0.000000       0.000000  
1 1 1 31 0  3  o 236.9608 3.110024  561.9939       14.73339  561.9939       14.73339  561.9939       14.73339  236.9608 3.110024  236.9608 3.110024  0.000000       0.000000  
1 1 1 31 0  4  o 53.20956 4.345879  28.89497       4.564872  28.89497       4.564872  28.89497       4.564872  53.20956 4.345879  53.20956 4.345879  0.000000       0.000000  
1 1 1 31 0  5  o 168.1727 3.440120  283.3080       11.55990  283.3080       11.55990  283.3080       11.55990  168.1727 3.440120  168.1727 3.440120  0.000000       0.000000  
1 1 1 31 0  6  o 213.9206 3.722381  458.2883       15.91511  458.2883       15.91511  458.2883       15.91511  213.9206 3.722381  213.9206 3.722381  0.000000       0.000000  
1 1 1 31 0  7  o 28.86461 12.76474  12.06498       7.700243  12.06498       7.700243  12.06498       7.700243  28.86461 12.76474  28.86461 12.76474  0.000000       0.000000  
1 1 1 31 0  8  o 41.82125 11.25565  20.94695       8.119563  20.94695       8.119563  20.94695       8.119563  41.82125 11.25565  41.82125 11.25565  0.000000       0.000000  
1 1 1 31 0  9  o 17.59822 11.60553  -1.200781      10.06368  -1.200781      10.06368  -1.200781      10.06368  17.59822 11.60553  17.59822 11.60553  0.000000       0.000000  
1 1 1 31 0  10 o 200.0033 3.977454  400.8796       15.89605  400.8796       15.89605  400.8796       15.89605  200.0033 3.977454  200.0033 3.977454  0.000000       0.000000  
1 1 1 31 0  11 o 24.33116 14.05879  7.738363       10.86420  7.738363       10.86420  7.738363       10.86420  24.33116 14.05879  24.33116 14.05879  0.000000       0.000000  
1 1 1 31 0  12 o 208.5249 5.791175  437.1222       24.11091  437.1222       24.11091  437.1222       24.11091  208.5249 5.791175  208.5249 5.791175  0.000000       0.000000  
1 1 1 31 0  13 o 170.5452 5.140038  292.4663       17.49709  292.4663       17.49709  292.4663       17.49709  170.5452 5.140038  170.5452 5.140038  0.000000       0.000000  
1 1 1 31 0  14 o 152.3752 4.549563  233.5232       13.83757  233.5232       13.83757  233.5232       13.83757  152.3752 4.549563  152.3752 4.549563  0.000000       0.000000  
1 1 1 31 0  15 o 76.08480 5.919984  59.28615       8.901024  59.28615       8.901024  59.28615       8.901024  76.08480 5.919984  76.08480 5.919984  0.000000       0.000000  
1 1 1 31 0  16 o 21.56319 13.27981  4.574402       10.89279  4.574402       10.89279  4.574402       10.89279  21.56319 13.27981  21.56319 13.27981  0.000000       0.000000  
1 1 1 31 0  17 o 25.12890 15.14448  7.690712       13.52308  7.690712       13.52308  7.690712       13.52308  25.12890 15.14448  25.12890 15.14448  0.000000       0.000000  
1 1 1 31 0  18 o 25.00306 15.22825  7.471523       13.99957  7.471523       13.99957  7.471523       13.99957  25.00306 15.22825  25.00306 15.22825  0.000000       0.000000  
1 1 1 31 0  19 o 27.80722 17.37348  8.958203       19.24108  8.958203       19.24108  8.958203       19.24108  27.80722 17.37348  27.80722 17.37348  0.000000       0.000000  
1 1 1 31 0  20 o 32.80521 18.09262  18.80270       16.97294  18.80270       16.97294  18.80270       16.97294  32.80521 18.09262  32.80521 18.09262  0.000000       0.000000  
1 1 1 31 1  0  o 94.55748 2.736339  89.65828       5.165262  89.65828       5.165262  89.65828       5.165262  94.55748 2.736339  94.55748 2.736339  0.000000       0.000000  
1 1 1 31 1  1  o 112.4368 1.361886  127.0969       2.149016  109.0423       4.298031  145.1515       4.298031  104.4080 2.058286  120.4656 1.783925  -16.05756      2.723772  
1 1 1 31 1  2  o 367.3361 2.090399  1350.206       10.85944  1352.260       21.71888  1348.153       21.71888  367.6156 2.954020  367.0565 2.958519  0.5590820      4.180798  
1 1 1 31 1  3  o 219.9747 1.533392  485.7015       4.745942  429.2409       9.491883  542.1619       9.491883  207.1413 2.291161  232.8082 2.038563  -25.66681      3.066783  
1 1 1 31 1  4  o 278.7470 2.006032  777.6484       7.905138  753.7852       15.81028  801.5115       15.81028  274.4666 2.880183  283.0274 2.793065  -8.560852      4.012064  
1 1 1 31 1  5  o 195.8686 1.725789  383.8876       4.779297  374.2147       9.558595  393.5606       9.558595  193.3994 2.471206  198.3379 2.409674  -4.938507      3.451578  
1 1 1 31 1  6  o 171.1054 1.703270  293.1238       4.116962  309.1057       8.233924  277.1420       8.233924  175.7756 2.342169  166.4353 2.473612  9.340332       3.406540  
1 1 1 31 1  7  o 244.9062 1.883489  600.1472       6.523287  595.1487       13.04657  605.1457       13.04657  243.8857 2.674732  245.9266 2.652534  -2.040955      3.766978  
1 1 1 31 1  8  o 336.9604 2.526826  1136.839       12.04116  1139.464       24.08232  1134.213       24.08232  337.3500 3.569337  336.5709 3.577600  0.7791748      5.053651  
1 1 1 31 1  9  o 213.3675 1.999396  455.6247       6.032492  448.0340       12.06498  463.2154       12.06498  211.5888 2.851046  215.1463 2.803902  -3.557556      3.998791  
1 1 1 31 1  10 o 94.81017 2.630012  90.04901       3.526102  88.77198       7.052203  91.32602       7.052203  94.13670 3.745724  95.48363 3.692886  -1.346924      5.260025  
1 1 1 31 1  11 o 190.4973 2.454990  363.5077       6.613823  362.6548       13.22765  364.3606       13.22765  190.2734 3.475957  190.7212 3.467797  -0.4477386     4.909979  
1 1 1 31 1  12 o 144.1847 2.528712  208.5070       5.150967  197.6427       10.30193  219.3712       10.30193  140.4172 3.668329  147.9522 3.481508  -7.534943      5.057425  
1 1 1 31 1  13 o 222.4157 2.449816  495.9890       7.705008  503.8228       15.41002  488.1554       15.41002  224.1767 3.437024  220.6546 3.491886  3.522095       4.899633  
1 1 1 31 1  14 o 189.1084 2.124533  358.8714       5.675117  378.9701       11.35023  338.7726       11.35023  194.4225 2.918961  183.7943 3.087754  10.62819       4.249066  
1 1 1 31 1  15 o 46.15096 5.577372  22.42410       3.487981  17.13495       6.975962  27.71325       6.975962  40.07123 8.934887  52.23068 6.678031  -12.15945      11.15474  
1 1 1 31 1  16 o 76.13229 3.695996  58.95260       3.945422  67.71068       7.890843  50.19453       7.890843  81.88416 4.818296  70.38042 5.605852  11.50375       7.391993  
1 1 1 31 1  17 o 30.54038 7.102408  5.789478       4.450512  18.40244       8.901024  -6.823483      8.901024  40.99314 10.73138  20.08762 9.306684  20.90553       14.20482  
1 1 1 31 1  18 o 53.13546 7.062211  32.94522       5.374923  57.19909       10.74985  8.691362       10.74985  74.43118 7.221332  31.83974 12.13885  42.59144       14.12442  
1 1 1 31 1  19 o 28.11878 8.431229  0.2382494E-01  6.208797  -9.510944      12.41759  9.558595       12.41759  23.06814 10.79966  33.16942 12.95028  -10.10128      16.86246  
1 1 1 31 1  20 o 79.36263 5.915795  67.90128       6.570938  78.38428       13.14188  57.41827       13.14188  85.96712 7.643547  72.75813 9.031207  13.20900       11.83159  
1 1 1 31 2  0  o 372.6440 4.302835  1390.075       32.05893  1390.075       32.05893  1390.075       32.05893  372.6440 4.302835  372.6440 4.302835  0.000000       0.000000  
1 1 1 31 2  1  o 285.9697 1.745385  818.2699       7.056968  839.3360       14.11394  797.2039       14.11394  289.6529 2.436353  282.2864 2.499932  7.366486       3.490771  
1 1 1 31 2  2  o 183.6074 1.350134  337.4289       3.502276  320.0747       7.004553  354.7830       7.004553  178.8815 1.957875  188.3333 1.859616  -9.451767      2.700268  
1 1 1 31 2  3  o 257.1567 1.591876  661.8873       5.784712  692.1165       11.56942  631.6581       11.56942  263.0343 2.199224  251.2791 2.302106  11.75519       3.183752  
1 1 1 31 2  4  o 103.0306 1.740979  106.2500       2.534981  101.6947       5.069962  110.8053       5.069962  100.8199 2.514366  105.2413 2.408733  -4.421364      3.481958  
1 1 1 31 2  5  f 52.59994 3.057827  27.72278       2.272906  26.47435       4.545812  28.97121       4.545812  51.41321 4.420860  53.78666 4.225780  -2.373447      6.115653  
1 1 1 31 2  6  o 328.9038 2.319648  1084.086       10.76890  1006.664       21.53781  1161.507       21.53781  317.1341 3.395694  340.6735 3.161063  -23.53937      4.639296  
1 1 1 31 2  7  o 214.8676 1.866915  462.0860       5.670352  478.2823       11.34070  445.8898       11.34070  218.6365 2.593507  211.0987 2.686114  7.537781       3.733830  
1 1 1 31 2  8  o 145.8831 1.737231  212.9765       3.583282  207.7922       7.166563  218.1608       7.166563  144.1062 2.486556  147.6600 2.426711  -3.553757      3.474462  
1 1 1 31 2  9  o 254.1064 2.034602  646.3154       7.309513  663.9553       14.61903  628.6752       14.61903  257.5774 2.837793  250.6353 2.916393  6.942017       4.069204  
1 1 1 31 2  10 o 92.46265 2.989699  85.78433       3.902537  79.93767       7.805074  91.63099       7.805074  89.30101 4.370092  95.62428 4.081115  -6.323265      5.979398  
1 1 1 31 2  11 o 168.7012 2.470788  286.7959       5.841892  330.9008       11.68378  242.6911       11.68378  181.7731 3.213838  155.6293 3.753722  26.14378       4.941577  
1 1 1 31 2  12 o 151.8754 2.366112  231.2027       5.079492  239.6319       10.15898  222.7734       10.15898  154.6505 3.284498  149.1004 3.406760  5.550125       4.732224  
1 1 1 31 2  13 o 141.6826 2.444133  201.3547       4.893657  192.4203       9.787313  210.2891       9.787313  138.5296 3.532572  144.8355 3.378769  -6.305923      4.888266  
1 1 1 31 2  14 o 88.37896 2.887296  78.52247       3.607106  81.23376       7.214212  75.81118       7.214212  89.91286 4.011781  86.84506 4.153497  3.067795       5.774593  
1 1 1 31 2  15 o 63.53550 4.421196  41.04573       3.954952  36.65240       7.909904  45.43906       7.909904  60.07812 6.583015  66.99288 5.903540  -6.914764      8.842391  
1 1 1 31 2  16 o 84.91062 3.324942  72.83305       3.988307  76.71654       7.976613  68.94958       7.976613  87.19743 4.573882  82.62382 4.827066  4.573608       6.649884  
1 1 1 31 2  17 o 35.62099 7.784091  13.12758       4.536282  7.319043       9.072563  18.93612       9.072563  29.68392 11.19988  41.55807 10.81347  -11.87415      15.56818  
1 1 1 31 2  18 o 152.3922 3.018712  234.9241       6.504228  229.0632       13.00846  240.7851       13.00846  150.4693 4.322629  154.3152 4.214897  -3.845978      6.037423  
1 1 1 31 2  19 f 39.09654 7.560279  14.07105       5.627467  -5.298682      11.25493  33.44078       11.25493  23.49117 10.71554  54.70190 10.66810  -31.21073      15.12056  
1 1 1 31 2  20 o 49.82932 9.001156  30.05287       6.399398  33.65044       12.79880  26.45529       12.79880  53.14782 12.27857  46.51082 13.16511  6.637005       18.00231  
1 1 1 31 3  0  o 564.6028 6.197161  3193.199       69.95975  3193.199       69.95975  3193.199       69.95975  564.6028 6.197161  564.6028 6.197161  0.000000       0.000000  
1 1 1 31 3  1  o 150.7334 1.251785  227.2572       2.668401  226.2613       5.336802  228.2531       5.336802  150.4031 1.774167  151.0638 1.766407  -0.6607056     2.503570  
1 1 1 31 3  2  o 168.2547 1.305734  285.7953       3.063896  340.3736       6.127792  231.2169       6.127792  184.4736 1.660886  152.0357 2.015248  32.43794       2.611468  
1 1 1 31 3  3  o 127.0435 1.256688  161.6289       2.253846  172.7313       4.507692  150.5264       4.507692  131.4131 1.715085  122.6740 1.837265  8.739098       2.513376  
1 1 1 31 3  4  o 114.0459 1.693016  130.2799       2.725581  139.3763       5.451162  121.1835       5.451162  118.0340 2.309150  110.0579 2.476497  7.976082       3.386032  
1 1 1 31 3  5  o 97.17841 1.962443  96.29115       2.620751  70.21706       5.241503  122.3653       5.241503  83.76283 3.128776  110.5940 2.369705  -26.83115      3.924887  
1 1 1 31 3  6  o 191.5417 1.987611  367.7438       5.370157  398.2017       10.74031  337.2859       10.74031  199.4925 2.691910  183.5910 2.925065  15.90144       3.975221  
1 1 1 31 3  7  o 301.2070 2.211861  908.0854       9.420408  889.5115       18.84082  926.6594       18.84082  298.1238 3.159899  304.2903 3.095863  -6.166504      4.423723  
1 1 1 31 3  8  o 98.51363 2.671183  97.18698       3.721466  97.40617       7.442933  96.96779       7.442933  98.62487 3.773355  98.40237 3.781887  0.2224960      5.342366  
1 1 1 31 3  9  o 108.1119 2.418889  117.0237       3.697641  119.6111       7.395282  114.4363       7.395282  109.3086 3.382756  106.9153 3.458477  2.393242       4.837778  
1 1 1 31 3  10 o 224.2020 2.195636  503.2795       6.961668  501.7738       13.92334  504.7852       13.92334  223.8662 3.109745  224.5378 3.100444  -0.6715698     4.391272  
1 1 1 31 3  11 o 250.6312 2.328846  629.2280       8.252983  643.1323       16.50597  615.3238       16.50597  253.4050 3.256835  247.8573 3.329731  5.547699       4.657691  
1 1 1 31 3  12 o 163.4703 2.202122  267.9313       5.084257  283.7082       10.16851  252.1544       10.16851  168.2959 3.021022  158.6447 3.204808  9.651245       4.404244  
1 1 1 31 3  13 o 170.1223 2.047894  289.9456       4.927012  290.1886       9.854024  289.7026       9.854024  170.1937 2.894944  170.0509 2.897376  0.1428528      4.095789  
1 1 1 31 3  14 o 89.72197 2.414684  80.78107       3.063896  80.73820       6.127792  80.82396       6.127792  89.69807 3.415788  89.74586 3.413969  -0.4779053E-01 4.829368  
1 1 1 31 3  15 o 70.29539 3.673341  49.95152       3.645226  46.53501       7.290452  53.36802       7.290452  67.86529 5.371268  72.72551 5.012308  -4.860222      7.346683  
1 1 1 31 3  16 o 86.96059 3.514386  76.60217       4.307562  83.74967       8.615124  69.45467       8.615124  91.07021 4.729935  82.85097 5.199169  8.219246       7.028773  
1 1 1 31 3  17 f 37.92910 7.267360  15.08600       4.455277  25.02579       8.910554  5.146202       8.910554  48.18665 9.586154  27.67156 10.92537  20.51508       14.53472  
1 1 1 31 3  18 o 56.07967 7.727426  35.04182       5.946723  24.10138       11.89345  45.98227       11.89345  46.02312 12.56993  66.13622 8.991629  -20.11309      15.45485  
1 1 1 31 3  19 o 84.72801 5.148053  75.20602       6.103968  63.18392       12.20794  87.22813       12.20794  77.63349 7.862545  91.82254 6.647570  -14.18905      10.29611  
1 1 1 31 3  20 o 35.55015 13.93216  12.73209       14.39984  12.73209       14.39984  ?              ?         35.55015 13.93216  ?        ?         ?              ?         
1 1 1 31 4  0  o 143.8053 2.583086  207.0489       7.423873  207.0489       7.423873  207.0489       7.423873  143.8053 2.583086  143.8053 2.583086  0.000000       0.000000  
1 1 1 31 4  1  o 160.8335 1.335648  260.7933       3.001951  214.6919       6.003902  306.8947       6.003902  146.5015 2.049093  175.1656 1.713780  -28.66405      2.671296  
1 1 1 31 4  2  o 180.5061 1.346956  326.3931       3.430801  351.4666       6.861602  301.3197       6.861602  187.4514 1.830235  173.5608 1.976715  13.89063       2.693912  
1 1 1 31 4  3  f 149.3302 1.353204  224.7318       2.825646  263.4189       5.651292  186.0447       5.651292  162.2837 1.741177  136.3766 2.071943  25.90707       2.706409  
1 1 1 31 4  4  o 126.1902 1.604600  161.4287       2.806586  124.6048       5.613173  198.2527       5.613173  111.5996 2.514872  140.7809 1.993585  -29.18130      3.209200  
1 1 1 31 4  5  o 96.23753 2.085451  93.06049       2.820881  81.19563       5.641763  104.9253       5.641763  90.07317 3.131766  102.4019 2.754716  -12.32872      4.170901  
1 1 1 31 4  6  o 56.17973 3.231944  31.68726       2.558806  28.63766       5.117612  34.73687       5.117612  53.46558 4.785894  58.89388 4.344774  -5.428299      6.463888  
1 1 1 31 4  7  o 356.0309 2.479521  1268.901       12.48430  1261.125       24.96861  1276.677       24.96861  354.9388 3.517312  357.1230 3.495800  -2.184204      4.959042  
1 1 1 31 4  8  o 143.5756 1.964665  206.3293       3.988307  201.3309       7.976613  211.3278       7.976613  141.8349 2.811936  145.3163 2.744569  -3.481415      3.929331  
1 1 1 31 4  9  o 380.7444 2.707038  1451.677       14.57614  1449.542       29.15228  1453.812       29.15228  380.4641 3.831148  381.0247 3.825510  -0.5606689     5.414076  
1 1 1 31 4  10 o 206.4957 2.002614  426.9156       5.846657  415.5463       11.69331  438.2849       11.69331  203.7428 2.869626  209.2487 2.794119  -5.505829      4.005229  
1 1 1 31 4  11 o 239.3383 2.251592  574.2637       7.609708  610.4158       15.21942  538.1117       15.21942  246.8908 3.082217  231.7857 3.283079  15.10503       4.503184  
1 1 1 31 4  12 o 33.24057 6.964966  10.91662       3.769116  4.927012       7.538233  16.90623       7.538233  26.49316 10.14625  39.98799 9.544452  -13.49483      13.92993  
1 1 1 31 4  13 o 76.84514 3.834110  59.72454       4.136022  68.01564       8.272044  51.43343       8.272044  82.23982 5.029220  71.45046 5.788656  10.78936       7.668220  
1 1 1 31 4  14 o 72.77605 2.941070  53.52526       3.001951  45.64872       6.003902  61.40181       6.003902  67.36456 4.456277  78.18755 3.839423  -10.82300      5.882140  
1 1 1 31 4  15 o 74.21342 3.685094  55.65046       3.864417  53.05353       7.728833  58.24739       7.728833  72.46378 5.332893  75.96306 5.087232  -3.499275      7.370189  
1 1 1 31 4  16 o 50.97936 5.690590  26.74596       4.102666  26.78884       8.205333  26.70307       8.205333  51.02142 8.041067  50.93730 8.054347  0.8412552E-01  11.38118  
1 1 1 31 4  17 o 77.80367 4.754013  62.17375       5.193852  53.84452       10.38770  70.50297       10.38770  72.45095 7.168784  83.15639 6.245885  -10.70544      9.508025  
1 1 1 31 4  18 o 92.21561 4.517488  88.69575       5.732297  65.75703       11.46459  111.6345       11.46459  79.77805 7.185307  104.6532 5.477425  -24.87510      9.034977  
1 1 1 31 4  19 o 45.59426 8.727156  24.06803       5.765652  23.22462       11.53130  24.91143       11.53130  44.77464 12.43924  46.41388 12.24411  -1.639236      17.45431  
1 1 1 31 4  20 o 54.71373 9.169405  36.36173       7.014082  32.05893       14.02816  40.66453       14.02816  50.96587 13.53231  58.46159 12.37694  -7.495720      18.33881  
1 1 1 31 5  0  o 442.3255 4.961112  1959.007       43.87614  1959.007       43.87614  1959.007       43.87614  442.3255 4.961112  442.3255 4.961112  0.000000       0.000000  
1 1 1 31 5  1  o 101.3402 1.419007  103.9866       1.996536  81.24328       3.993072  126.7300       3.993072  90.11890 2.215446  112.5615 1.773729  -22.44258      2.838013  
1 1 1 31 5  2  o 523.7560 3.011504  2746.971       22.30497  2781.398       44.60995  2712.544       44.60995  527.0425 4.232101  520.4694 4.285550  6.573181       6.023008  
1 1 1 31 5  3  o 273.0777 1.664469  746.0230       6.427987  748.6390       12.85597  743.4070       12.85597  273.5567 2.349782  272.5987 2.358040  0.9579773      3.328938  
1 1 1 31 5  4  o 188.2859 1.397607  355.2309       3.711936  384.5928       7.423873  325.8689       7.423873  196.0831 1.893043  180.4888 2.056603  15.59435       2.795215  
1 1 1 31 5  5  o 142.2086 1.667161  203.0224       3.335501  179.2213       6.671002  226.8236       6.671002  133.8402 2.492153  150.5770 2.215147  -16.73683      3.334322  
1 1 1 31 5  6  o 178.1823 1.748404  318.0115       4.398098  296.3736       8.796194  339.6493       8.796194  172.1105 2.555392  184.2541 2.386973  -12.14366      3.496809  
1 1 1 31 5  7  o 213.8915 1.766588  458.1359       5.336802  431.2422       10.67360  485.0296       10.67360  207.6048 2.570655  220.1783 2.423855  -12.57352      3.533177  
1 1 1 31 5  8  o 264.8212 2.150167  703.0474       8.033793  758.5215       16.06759  647.5733       16.06759  275.2951 2.918248  254.3473 3.158592  20.94778       4.300334  
1 1 1 31 5  9  o 144.5966 1.952023  209.5219       3.983541  194.0785       7.967083  224.9653       7.967083  139.2565 2.860579  149.9368 2.656814  -10.68030      3.904046  
1 1 1 31 5  10 f 112.1486 2.557189  126.2916       4.040722  113.7787       8.081444  138.8045       8.081444  106.5699 3.791617  117.7273 3.432272  -11.15742      5.114377  
1 1 1 31 5  11 o 98.91132 2.897669  98.13521       4.050251  102.5238       8.100503  93.74665       8.100503  101.1298 4.005005  96.69288 4.188780  4.436874       5.795338  
1 1 1 31 5  12 o 45.94720 5.548608  21.94283       3.473686  17.48756       6.947372  26.39811       6.947372  40.74268 8.776745  51.15174 6.790945  -10.40906      11.09722  
1 1 1 31 5  13 o 123.3431 1.775261  152.8041       3.082956  169.3386       6.165912  136.2695       6.165912  130.0457 2.370671  116.6404 2.643129  13.40534       3.550523  
1 1 1 31 5  14 o 18.00527 5.617821  -2.596926      2.916181  0.9815904      5.832363  -6.175443      5.832363  20.48927 8.548808  15.52126 7.290922  4.968018       11.23564  
1 1 1 31 5  15 o 32.63943 7.026276  11.12628       3.540397  10.08274       7.080793  12.16981       7.080793  31.37671 10.01635  33.90215 9.856315  -2.525431      14.05255  
1 1 1 31 5  16 o 42.03343 7.061423  19.18390       4.140787  18.55492       8.281574  19.81288       8.281574  41.31216 10.09504  42.75470 9.876481  -1.442543      14.12285  
1 1 1 31 5  17 o 180.9635 2.400201  329.4093       6.142087  334.3888       12.28417  324.4299       12.28417  182.3393 3.368493  179.5877 3.420104  2.751617       4.800402  
1 1 1 31 5  18 o 56.36572 6.803216  34.28419       5.255797  39.10160       10.51159  29.46677       10.51159  61.07538 8.605427  51.65605 10.53953  9.419334       13.60643  
1 1 1 31 5  19 o 41.13691 8.613629  15.40525       6.871132  -5.899073      13.74226  36.70958       13.74226  25.92660 11.83026  56.34722 12.52291  -30.42062      17.22726  
1 1 1 31 5  20 o 41.96831 14.52979  21.56640       14.88587  21.56640       14.88587  ?              ?         41.96831 14.52979  ?        ?         ?              ?         
1 1 1 31 6  0  o 31.49939 8.246392  11.76003       4.479102  11.76003       4.479102  11.76003       4.479102  31.49939 8.246392  31.49939 8.246392  0.000000       0.000000  
1 1 1 31 6  1  o 62.23798 1.994198  38.85383       1.748756  42.70395       3.497512  35.00370       3.497512  65.33105 2.676761  59.14492 2.956730  6.186127       3.988396  
1 1 1 31 6  2  o 261.0856 1.719654  682.1339       6.346982  704.2673       12.69396  660.0004       12.69396  265.3244 2.392160  256.8469 2.471115  8.477448       3.439308  
1 1 1 31 6  3  o 275.2742 1.809239  758.8599       7.033143  711.8436       14.06629  805.8761       14.06629  266.7343 2.636760  283.8141 2.478081  -17.07980      3.618479  
1 1 1 31 6  4  o 74.58041 1.752740  56.22225       1.820231  67.52008       3.640462  44.92443       3.640462  82.15466 2.215615  67.00616 2.716513  15.14851       3.505480  
1 1 1 31 6  5  o 295.9691 2.042773  877.3418       8.538883  929.6328       17.07777  825.0506       17.07777  304.8030 2.801443  287.1353 2.973819  17.66776       4.085546  
1 1 1 31 6  6  o 51.33248 3.510046  26.42670       2.544511  28.04680       5.089022  24.80660       5.089022  52.91053 4.809083  49.75443 5.114140  3.156094       7.020092  
1 1 1 31 6  7  o 89.52718 2.427811  80.24264       3.073426  81.80556       6.146852  78.67971       6.146852  90.40006 3.399806  88.65430 3.466754  1.745758       4.855621  
1 1 1 31 6  8  o 275.7120 2.174087  760.8898       8.476938  755.4053       16.95388  766.3743       16.95388  274.7173 3.085695  276.7066 3.063512  -1.989227      4.348174  
1 1 1 31 6  9  o 194.7174 2.026182  379.8850       5.570287  354.6686       11.14057  405.1013       11.14057  188.2422 2.959106  201.1925 2.768636  -12.95023      4.052364  
1 1 1 31 6  10 o 271.4979 2.207800  738.0177       8.476938  740.7100       16.95388  735.3256       16.95388  271.9937 3.116594  271.0021 3.127997  0.9916077      4.415600  
1 1 1 31 6  11 o 217.6882 1.883841  475.7331       5.775182  525.9324       11.55036  425.5338       11.55036  229.2183 2.519512  206.1581 2.801337  23.06020       3.767683  
1 1 1 31 6  12 o 69.15768 3.222838  48.67449       3.087722  37.47198       6.175443  59.87701       6.175443  61.05842 5.056995  77.25694 3.996691  -16.19852      6.445676  
1 1 1 31 6  13 o 107.0789 2.112083  115.0462       3.192551  107.0505       6.385102  123.0419       6.385102  103.3454 3.089205  110.8125 2.881039  -7.467079      4.224165  
1 1 1 31 6  14 o 106.8910 2.345868  115.0700       3.526102  129.1220       7.052203  101.0180       7.052203  113.4641 3.107681  100.3180 3.514925  13.14610       4.691735  
1 1 1 31 6  15 o 200.5884 1.919950  403.4718       5.446397  402.3472       10.89279  404.5963       10.89279  200.3081 2.719011  200.8687 2.711422  -0.5606232     3.839900  
1 1 1 31 6  16 o 82.52898 3.847913  69.15447       4.483867  64.70872       8.967733  73.60022       8.967733  79.83553 5.616380  85.22243 5.261369  -5.386894      7.695826  
1 1 1 31 6  17 o 129.3513 2.990640  169.3386       5.446397  151.0791       10.89279  187.5981       10.89279  122.2932 4.453557  136.4094 3.992685  -14.11619      5.981279  
1 1 1 31 6  18 o 127.9430 3.213066  166.2700       5.794242  150.8028       11.58848  181.7372       11.58848  121.8985 4.753335  133.9876 4.324462  -12.08914      6.426132  
1 1 1 31 6  19 o 54.71649 8.917809  35.03706       6.833013  26.96991       13.66603  43.10421       13.66603  47.67168 13.63918  61.76130 11.49270  -14.08961      17.83562  
1 1 1 31 6  20 o 37.97436 14.79568  15.48626       16.19147  15.48626       16.19147  ?              ?         37.97436 14.79568  ?        ?         ?              ?         
1 1 1 31 7  0  o 222.7520 3.250921  496.6943       14.47608  496.6943       14.47608  496.6943       14.47608  222.7520 3.250921  222.7520 3.250921  0.000000       0.000000  
1 1 1 31 7  1  o 135.1358 1.388154  183.7099       2.630281  211.2992       5.260562  156.1205       5.260562  145.3438 1.809696  124.9278 2.105441  20.41602       2.776307  
1 1 1 31 7  2  o 122.6302 1.373361  150.5931       2.377736  160.6854       4.755472  140.5009       4.755472  126.7452 1.875997  118.5153 2.006269  8.229836       2.746722  
1 1 1 31 7  3  o 304.3679 1.770610  927.4076       7.614474  973.1373       15.22895  881.6778       15.22895  311.8801 2.441475  296.8556 2.565043  15.02451       3.541221  
1 1 1 31 7  4  o 316.4355 1.907556  1002.080       8.534119  1029.126       17.06824  975.0337       17.06824  320.7090 2.661016  312.1619 2.733876  8.547119       3.815112  
1 1 1 31 7  5  o 108.6474 1.706132  118.4055       2.611221  106.3358       5.222442  130.4753       5.222442  103.0929 2.532882  114.2020 2.286494  -11.10910      3.412264  
1 1 1 31 7  6  o 345.7393 2.263637  1198.322       11.04051  1100.935       22.08102  1295.709       22.08102  331.6554 3.328910  359.8232 3.068315  -28.16779      4.527273  
1 1 1 31 7  7  o 179.0008 1.536543  320.6322       3.888242  330.7197       7.776483  310.5447       7.776483  181.8185 2.138529  176.1830 2.206933  5.635452       3.073087  
1 1 1 31 7  8  o 245.1021 1.808949  602.0104       6.256447  648.1451       12.51289  555.8756       12.51289  254.5135 2.458199  235.6908 2.654515  18.82265       3.617899  
1 1 1 31 7  9  o 38.76258 4.298256  15.09553       2.353911  14.32360       4.707822  15.86746       4.707822  37.76686 6.232742  39.75829 5.920554  -1.991432      8.596513  
1 1 1 31 7  10 o 288.3806 2.137384  832.6935       8.715188  813.4811       17.43038  851.9061       17.43038  285.0496 3.057429  291.7117 2.987603  -6.662170      4.274769  
1 1 1 31 7  11 o 118.7805 2.125475  142.9644       3.507041  173.7606       7.014082  112.1681       7.014082  131.7440 2.662013  105.8170 3.314252  25.92699       4.250950  
1 1 1 31 7  12 o 111.6792 2.323619  125.0194       3.669051  121.9555       7.338103  128.0833       7.338103  110.3074 3.326205  113.0509 3.245486  -2.743492      4.647238  
1 1 1 31 7  13 o 24.90667 5.300639  4.755473       2.501626  11.79815       5.003252  -2.287201      5.003252  33.44502 7.643491  16.36832 7.346028  17.07670       10.60128  
1 1 1 31 7  14 o 48.26992 4.704952  23.76307       3.183021  27.37017       6.366043  20.15596       6.366043  52.00632 6.120452  44.53353 7.147471  7.472786       9.409904  
1 1 1 31 7  15 o 37.68097 6.719180  15.25277       3.692876  9.920734       7.385753  20.58481       7.385753  31.32703 10.24565  44.03491 8.695762  -12.70788      13.43836  
1 1 1 31 7  16 f 59.63729 5.573143  36.78582       4.674467  41.10291       9.348933  32.46873       9.348933  63.25675 7.389673  56.01783 8.344604  7.238914       11.14629  
1 1 1 31 7  17 o 111.6741 3.383311  127.7354       5.241503  155.9490       10.48301  99.52184       10.48301  124.3062 4.216606  99.04198 5.292202  25.26421       6.766622  
1 1 1 31 7  18 o 30.94452 8.812628  5.837128       6.051552  10.36865       12.10310  1.305611       12.10310  33.93195 12.89666  27.95709 12.01357  5.974857       17.62526  
1 1 1 31 7  19 o 39.30485 9.944882  16.81093       7.118913  21.30909       14.23783  12.31277       14.23783  42.66507 14.22536  35.94464 13.90115  6.720428       19.88976  
1 1 1 31 7  20 o 80.14292 6.648824  70.15988       7.528703  66.95781       15.05741  73.36197       15.05741  78.14519 9.634251  82.14066 9.165624  -3.995468      13.29765  
1 1 1 31 8  0  o 149.1066 2.814456  222.6304       8.386403  222.6304       8.386403  222.6304       8.386403  149.1066 2.814456  149.1066 2.814456  0.000000       0.000000  
1 1 1 31 8  1  o 602.1171 3.290523  3631.412       28.01821  3672.139       56.03642  3590.686       56.03642  605.4991 4.627292  598.7352 4.679566  6.763916       6.581047  
1 1 1 31 8  2  o 276.3686 1.744613  764.1491       6.818718  764.1252       13.63744  764.1729       13.63744  276.3643 2.467294  276.3729 2.467216  -0.8605957E-02 3.489225  
1 1 1 31 8  3  o 161.1130 1.359469  260.1977       3.087722  236.3345       6.175443  284.0608       6.175443  153.7073 2.008832  168.5188 1.832272  -14.81143      2.718938  
1 1 1 31 8  4  o 448.4980 2.647708  2015.810       16.76804  1887.455       33.53608  2144.165       33.53608  434.1886 3.861926  462.8074 3.623114  -28.61887      5.295416  
1 1 1 31 8  5  o 128.5512 1.502288  165.3456       2.730346  160.7330       5.460692  169.9581       5.460692  126.7572 2.153997  130.3453 2.094703  -3.588074      3.004577  
1 1 1 31 8  6  o 244.6725 1.969537  599.0894       6.813953  587.1150       13.62791  611.0638       13.62791  242.2255 2.813062  247.1196 2.757351  -4.894058      3.939074  
1 1 1 31 8  7  o 303.3506 2.024983  922.3376       8.667539  850.7625       17.33508  993.9127       17.33508  291.5533 2.972883  315.1481 2.750307  -23.59482      4.049966  
1 1 1 31 8  8  o 281.6846 1.900795  794.0256       7.571588  804.1323       15.14318  783.9191       15.14318  283.4785 2.670957  279.8906 2.705196  3.587921       3.801591  
1 1 1 31 8  9  o 239.7218 1.804650  575.3882       6.113498  549.6906       12.22700  601.0859       12.22700  234.3620 2.608571  245.0817 2.494473  -10.71977      3.609299  
1 1 1 31 8  10 o 100.8868 2.155139  101.9329       3.073426  105.5162       6.146852  98.34964       6.146852  102.6627 2.993713  99.11092 3.100996  3.551773       4.310278  
1 1 1 31 8  11 o 216.4400 1.866851  469.3098       5.708472  444.8987       11.41694  493.7209       11.41694  210.8007 2.707995  222.0792 2.570467  -11.27849      3.733703  
1 1 1 31 8  12 o 46.84851 4.890922  22.66711       3.116311  26.89367       6.232623  18.44056       6.232623  51.66145 6.032179  42.03557 7.700472  9.625877       9.781843  
1 1 1 31 8  13 o 102.3141 2.442316  105.9308       3.487981  125.4625       6.975962  86.39902       6.975962  111.8591 3.118193  92.76908 3.759853  19.08999       4.884632  
1 1 1 31 8  14 o 136.0696 2.131819  186.2735       4.083606  206.6962       8.167212  165.8506       8.167212  143.5741 2.844249  128.5651 3.176296  15.00908       4.263638  
1 1 1 31 8  15 f 92.12958 2.959217  85.45078       3.854887  83.57813       7.709774  87.32343       7.709774  91.11327 4.230874  93.14588 4.138548  -2.032616      5.918435  
1 1 1 31 8  16 o 26.86442 7.629946  4.226557       4.426687  4.431452       8.853374  4.021661       8.853374  27.02971 10.81789  26.69913 10.76278  0.3305740      15.25989  
1 1 1 31 8  17 o 63.92369 6.243809  42.60865       5.627467  38.93959       11.25493  46.27770       11.25493  61.05383 9.217223  66.79356 8.425164  -5.739738      12.48762  
1 1 1 31 8  18 o 30.78688 8.244123  3.087722       5.865717  17.57333       11.73143  -11.39789      11.73143  39.81640 12.91107  21.75735 10.25508  18.05905       16.48825  
1 1 1 31 8  19 o 129.5323 3.808113  172.5788       6.937842  152.3085       13.87568  192.8492       13.87568  121.7079 5.700407  137.3567 5.050968  -15.64885      7.616227  
1 1 1 31 8  20 o 37.87987 13.89647  16.33442       13.78991  16.33442       13.78991  ?              ?         37.87987 13.89647  ?        ?         ?              ?         
1 1 1 31 9  0  o 268.3921 3.365547  720.9924       18.05936  720.9924       18.05936  720.9924       18.05936  268.3921 3.365547  268.3921 3.365547  0.000000       0.000000  
1 1 1 31 9  1  f 95.10013 1.590459  90.59698       2.134721  83.95933       4.269442  97.23463       4.269442  91.61031 2.330219  98.58994 2.165252  -6.979637      3.180918  
1 1 1 31 9  2  o 154.4459 1.382151  238.7457       3.016246  227.2239       6.032492  250.2674       6.032492  150.7159 2.001280  158.1759 1.906893  -7.460068      2.764302  
1 1 1 31 9  3  o 253.2130 1.724747  641.5313       6.175443  629.4091       12.35089  653.6534       12.35089  250.8194 2.462108  255.6067 2.415994  -4.787323      3.449493  
1 1 1 31 9  4  o 257.6163 1.649982  664.4938       6.003902  702.4947       12.00780  626.4929       12.00780  264.9918 2.265694  250.2408 2.399250  14.75098       3.299965  
1 1 1 31 9  5  o 132.5068 1.672971  175.8238       3.130606  165.0501       6.261212  186.5975       6.261212  128.4415 2.437379  136.5721 2.292273  -8.130646      3.345943  
1 1 1 31 9  6  o 122.5179 1.679122  151.0935       2.882826  127.6449       5.765652  174.5420       5.765652  112.9484 2.552339  132.0873 2.182516  -19.13890      3.358245  
1 1 1 31 9  7  o 113.9451 1.865293  130.8612       2.973361  152.9280       5.946723  108.7945       5.946723  123.6282 2.405084  104.2621 2.851814  19.36608       3.730586  
1 1 1 31 9  8  o 216.2442 1.998033  468.0423       6.108732  480.2455       12.21746  455.8391       12.21746  219.0658 2.788538  213.4226 2.862271  5.643234       3.996065  
1 1 1 31 9  9  o 291.9473 2.114268  853.8836       8.719954  808.3254       17.43991  899.4417       17.43991  284.1449 3.068841  299.7498 2.909077  -15.60495      4.228536  
1 1 1 31 9  10 o 63.58758 3.332904  42.56576       2.777996  60.67754       5.555993  24.45399       5.555993  77.82917 3.569351  49.34598 5.629630  28.48319       6.665809  
1 1 1 31 9  11 o 154.1013 1.855152  237.8356       4.040722  246.9891       8.081444  228.6820       8.081444  157.0713 2.572539  151.1314 2.673648  5.939957       3.710304  
1 1 1 31 9  12 o 136.9387 2.256485  187.9364       4.369507  184.9583       8.739014  190.9146       8.739014  135.8513 3.216390  138.0260 3.165711  -2.174789      4.512969  
1 1 1 31 9  13 o 161.4457 2.045227  261.8178       4.655407  238.3073       9.310814  285.3283       9.310814  154.1645 3.019766  168.7270 2.759136  -14.56250      4.090455  
1 1 1 31 9  14 o 61.73777 3.932935  38.54887       3.430801  40.40722       6.861602  36.69051       6.861602  63.24281 5.424809  60.23274 5.695908  3.010071       7.865870  
1 1 1 31 9  15 o 80.07124 3.547456  64.82309       4.007367  69.96929       8.014733  59.67689       8.014733  83.28476 4.811645  76.85773 5.214005  6.427025       7.094912  
1 1 1 31 9  16 o 88.11633 3.697591  78.69877       4.607757  78.53676       9.215513  78.86078       9.215513  88.02440 5.234636  88.20825 5.223725  -0.1838531     7.395182  
1 1 1 31 9  17 o 60.22155 6.406222  37.84841       5.455927  37.79600       10.91185  37.90083       10.91185  60.17803 9.066311  60.26507 9.053217  -0.8703613E-01 12.81244  
1 1 1 31 9  18 o 81.90038 5.054455  69.36890       5.851423  66.93875       11.70285  71.79905       11.70285  80.41677 7.276371  83.38398 7.017443  -2.967209      10.10891  
1 1 1 31 9  19 o 41.62346 9.390249  19.86529       6.589998  11.25493       13.18000  28.47565       13.18000  34.47433 13.36604  48.77258 13.19303  -14.29826      18.78050  
1 1 1 31 9  20 o 76.79703 8.323989  69.14970       8.534119  51.71933       17.06824  86.58009       17.06824  64.92389 13.58392  88.67017 9.624566  -23.74628      16.64798  
1 1 1 31 10 0  o 179.2888 2.925238  321.8092       10.48301  321.8092       10.48301  321.8092       10.48301  179.2888 2.925238  179.2888 2.925238  0.000000       0.000000  
1 1 1 31 10 1  o 204.2305 1.458619  417.2808       4.212262  409.1421       8.424523  425.4194       8.424523  202.2380 2.082824  206.2230 2.042576  -3.985001      2.917238  
1 1 1 31 10 2  o 309.2876 1.980537  957.1935       8.662774  952.8098       17.32555  961.5774       17.32555  308.5789 2.807313  309.9963 2.794477  -1.417389      3.961074  
1 1 1 31 10 3  o 328.3424 2.028239  1078.982       9.415645  1107.129       18.83129  1050.835       18.83129  332.6286 2.830678  324.0562 2.905559  8.572418       4.056478  
1 1 1 31 10 4  o 197.2593 1.497778  390.1012       4.164612  353.7061       8.329224  426.4962       8.329224  188.0341 2.214817  206.4845 2.016912  -18.45038      2.995555  
1 1 1 31 10 5  o 119.7949 1.723177  143.8363       2.911416  131.6284       5.822832  156.0443       5.822832  114.6995 2.538298  124.8902 2.331180  -10.19070      3.446354  
1 1 1 31 10 6  o 66.06860 2.687471  43.76177       2.506391  40.69312       5.012782  46.83044       5.012782  63.74627 3.931824  68.39093 3.664800  -4.644665      5.374942  
1 1 1 31 10 7  o 82.05536 2.011347  67.64397       2.320556  76.01131       4.641112  59.27663       4.641112  87.15395 2.662594  76.95676 3.015402  10.19719       4.022693  
1 1 1 31 10 8  o 162.5992 1.713124  264.6911       3.935891  251.9352       7.871783  277.4470       7.871783  158.6767 2.480448  166.5217 2.363591  -7.845001      3.426249  
1 1 1 31 10 9  o 228.4269 1.843139  522.6731       5.946723  492.5583       11.89345  552.7879       11.89345  221.8351 2.680695  235.0187 2.530319  -13.18358      3.686277  
1 1 1 31 10 10 o 153.4666 1.997503  235.9343       4.331387  247.4465       8.662774  224.4221       8.662774  157.2173 2.755032  149.7158 2.893072  7.501465       3.995006  
1 1 1 31 10 11 o 125.7896 2.165247  158.5411       3.850122  163.9828       7.700243  153.0995       7.700243  127.9526 3.009022  123.6266 3.114315  4.325981       4.330494  
1 1 1 31 10 12 o 298.0538 2.013360  890.2215       8.481703  855.5562       16.96341  924.8869       16.96341  292.2386 2.902322  303.8691 2.791235  -11.63058      4.026719  
1 1 1 31 10 13 f 73.09945 3.268041  53.78258       3.378386  54.13995       6.756773  53.42520       6.756773  73.34389 4.606227  72.85500 4.637137  0.4888916      6.536082  
1 1 1 31 10 14 f 258.0320 2.021439  668.0199       7.371458  696.3955       14.74292  639.6443       14.74292  263.5305 2.797194  252.5336 2.919001  10.99690       4.042878  
1 1 1 31 10 15 o 53.14265 6.043383  32.00652       4.069312  13.46590       8.138623  50.54714       8.138623  35.63771 10.62601  70.64760 5.760015  -35.00989      12.08677  
1 1 1 31 10 16 o 87.08212 3.887612  78.05550       4.679232  96.77718       9.358463  59.33381       9.358463  97.83156 4.782947  76.33267 6.130052  21.49889       7.775225  
1 1 1 31 10 17 o 65.90128 6.099962  45.23416       5.675117  48.20275       11.35023  42.26557       11.35023  68.15358 8.326955  63.64896 8.916276  4.504616       12.19992  
1 1 1 31 10 18 o 62.44235 7.745059  42.74207       6.694828  40.93137       13.38966  44.55276       13.38966  60.50497 11.48065  64.37974 10.39897  -3.874767      15.49012  
1 1 1 31 10 19 o 52.59798 8.811828  32.64979       7.128443  49.91816       14.25689  15.38142       14.25689  67.33740 10.58616  37.85857 14.08994  29.47883       17.62366  
1 1 1 31 10 20 o 30.56340 13.73197  0.2954301      17.52568  0.2954301      17.52568  ?              ?         30.56340 13.73197  ?        ?         ?              ?         
1 1 1 31 11 0  f 105.2744 3.101908  111.1580       6.518523  111.1580       6.518523  111.1580       6.518523  105.2744 3.101908  105.2744 3.101908  0.000000       0.000000  
1 1 1 31 11 1  f 73.51234 1.883175  54.23524       1.948886  60.19150       3.897772  48.27900       3.897772  77.56353 2.512632  69.46114 2.805721  8.102386       3.766349  
1 1 1 31 11 2  o 403.2042 2.309018  1629.926       13.13235  1765.023       26.26469  1494.829       26.26469  419.9571 3.127068  386.4512 3.398190  33.50592       4.618035  
1 1 1 31 11 3  f 200.7188 1.601247  403.5767       4.536282  374.2814       9.072563  432.8719       9.072563  193.4212 2.345287  208.0164 2.180733  -14.59515      3.202494  
1 1 1 31 11 4  o 102.4354 1.651617  105.4114       2.377736  118.9440       4.755472  91.87877       4.755472  109.0408 2.180593  95.82993 2.481204  13.21087       3.303235  
1 1 1 31 11 5  o 50.14971 3.391863  25.35934       2.382501  29.39053       4.765002  21.32815       4.765002  54.16887 4.398284  46.13055 5.164691  8.038315       6.783726  
1 1 1 31 11 6  o 261.0179 1.757048  682.4293       6.475638  726.6533       12.95128  638.2053       12.95128  269.4893 2.402929  252.5464 2.564138  16.94289       3.514096  
1 1 1 31 11 7  o 106.1418 1.818867  112.8591       2.725581  120.4688       5.451162  105.2494       5.451162  109.7265 2.483977  102.5571 2.657623  7.169373       3.637733  
1 1 1 31 11 8  o 148.6556 1.682274  221.7584       3.521337  245.5310       7.042673  197.9858       7.042673  156.6515 2.247879  140.6598 2.503443  15.99171       3.364548  
1 1 1 31 11 9  f 217.0831 1.700147  472.2737       5.208147  436.3979       10.41630  508.1494       10.41630  208.8199 2.494086  225.3462 2.311176  -16.52625      3.400294  
1 1 1 31 11 10 o 48.77121 4.613599  24.79230       2.987656  32.04940       5.975312  17.53521       5.975312  56.48972 5.288850  41.05270 7.561035  15.43702       9.227199  
1 1 1 31 11 11 o 41.42144 5.898118  17.94976       3.383151  22.58611       6.766303  13.31342       6.766303  47.29393 7.153459  35.54896 9.379723  11.74496       11.79624  
1 1 1 31 11 12 o 123.4452 2.293358  153.3711       3.978776  133.7155       7.957553  173.0267       7.957553  115.4839 3.445309  131.4064 3.027840  -15.92255      4.586717  
1 1 1 31 11 13 o 37.36473 5.879217  14.74292       3.144901  20.27985       6.289802  9.205984       6.289802  44.70256 7.035170  30.02691 9.421632  14.67566       11.75843  
1 1 1 31 11 14 o 58.47529 4.884746  35.38490       3.926362  25.98832       7.852723  44.78149       7.852723  50.44063 7.784125  66.50995 5.903420  -16.06932      9.769491  
1 1 1 31 11 15 o 37.25499 5.977036  13.82804       3.831062  28.29458       7.662123  -0.6385102     7.662123  52.63073 7.279134  21.87925 9.482303  30.75149       11.95407  
1 1 1 31 11 16 o 102.2682 3.426569  105.8497       4.950837  111.2628       9.901674  100.4367       9.901674  104.9147 4.718918  99.62167 4.969639  5.292992       6.853137  
1 1 1 31 11 17 o 86.98418 4.440168  77.54565       5.441632  69.98835       10.88326  85.10293       10.88326  82.64011 6.584735  91.32823 5.958324  -8.688118      8.880336  
1 1 1 31 11 18 f 47.77620 9.570183  26.64113       7.128443  37.06219       14.25689  16.22007       14.25689  56.52851 12.89145  39.02389 14.14794  17.50462       19.14037  
1 1 1 31 11 19 o 90.94995 6.504295  90.89718       8.019498  63.18392       16.03900  118.6104       16.03900  75.71452 10.59176  106.1854 7.552355  -30.47088      13.00859  
1 1 1 31 11 20 o 47.03806 15.30332  30.42930       16.47738  30.42930       16.47738  ?              ?         47.03806 15.30332  ?        ?         ?              ?         
1 1 1 31 12 0  o 173.2146 2.818615  300.3667       9.758724  300.3667       9.758724  300.3667       9.758724  173.2146 2.818615  173.2146 2.818615  0.000000       0.000000  
1 1 1 31 12 1  o 221.2062 1.534190  489.5801       4.798357  501.6403       9.596713  477.5200       9.596713  223.9322 2.142772  218.4802 2.196244  5.452026       3.068381  
1 1 1 31 12 2  o 339.3059 2.011585  1153.817       9.630070  1244.704       19.26014  1062.929       19.26014  352.6991 2.730393  325.9127 2.954800  26.78635       4.023169  
1 1 1 31 12 3  o 198.1232 1.631657  392.8125       4.569637  379.1512       9.139274  406.4737       9.139274  194.6755 2.347310  201.5708 2.267013  -6.895355      3.263313  
1 1 1 31 12 4  o 67.37068 2.397123  46.40636       2.210961  33.07864       4.421922  59.73406       4.421922  57.47935 3.846531  77.26201 2.861640  -19.78266      4.794245  
1 1 1 31 12 5  o 239.7908 1.719918  575.3121       5.832363  570.6757       11.66473  579.9484       11.66473  238.8240 2.442117  240.7575 2.422505  -1.933487      3.439835  
1 1 1 31 12 6  o 257.7032 1.805997  664.6415       6.580468  648.5930       13.16094  680.6901       13.16094  254.5895 2.584737  260.8170 2.523021  -6.227509      3.611994  
1 1 1 31 12 7  o 247.2479 1.785604  611.7691       6.242152  626.7883       12.48430  596.7498       12.48430  250.2852 2.494016  244.2106 2.556053  6.074585       3.571208  
1 1 1 31 12 8  o 152.3357 1.645688  232.2224       3.545162  235.2767       7.090323  229.1680       7.090323  153.3382 2.311988  151.3332 2.342620  2.005035       3.291376  
1 1 1 31 12 9  o 144.8059 1.796691  209.8888       3.678581  214.9302       7.357163  204.8474       7.357163  146.5466 2.510179  143.0651 2.571263  3.481461       3.593382  
1 1 1 31 12 10 o 146.3678 1.864819  216.0785       3.816766  253.2217       7.633533  178.9353       7.633533  159.0561 2.399635  133.6795 2.855161  25.37660       3.729637  
1 1 1 31 12 11 o 149.4351 2.008981  223.6787       4.245616  224.5841       8.491233  222.7734       8.491233  149.7381 2.835363  149.1322 2.846881  0.6058502      4.017962  
1 1 1 31 12 12 o 76.30873 3.347564  59.06220       3.564222  48.03122       7.128443  70.09319       7.128443  69.08087 5.159492  83.53659 4.266659  -14.45572      6.695128  
1 1 1 31 12 13 o 81.85678 2.960747  67.37712       3.426036  65.15664       6.852073  69.59762       6.852073  80.50045 4.255922  83.21311 4.117184  -2.712662      5.921493  
1 1 1 31 12 14 o 40.77011 6.810959  17.85446       3.869182  19.00283       7.738363  16.70610       7.738363  42.12060 9.423540  39.41962 9.836339  2.700981       13.62192  
1 1 1 31 12 15 o 96.06975 3.430142  93.31303       4.655407  98.19716       9.310814  88.42891       9.310814  98.61172 4.720947  93.52778 4.977566  5.083939       6.860284  
1 1 1 31 12 16 o 52.87259 6.631866  30.06717       4.760237  37.68163       9.520474  22.45269       9.520474  60.46656 7.872512  45.27861 10.67474  15.18795       13.26373  
1 1 1 31 12 17 o 78.92957 4.580798  63.89867       5.112847  64.78497       10.22569  63.01239       10.22569  79.49100 6.431983  78.36813 6.524142  1.122879       9.161595  
1 1 1 31 12 18 o 53.01769 8.439440  32.54496       7.090323  55.57898       14.18065  9.510944       14.18065  71.82581 9.871552  34.20958 13.69120  37.61624       16.87888  
1 1 1 31 12 19 o 27.00639 12.37953  -5.794242      15.24801  -5.794242      15.24801  ?              ?         27.00639 12.37953  ?        ?         ?              ?         
1 1 1 31 12 20 o 26.71840 12.46081  -4.745942      16.29631  -4.745942      16.29631  ?              ?         26.71840 12.46081  ?        ?         ?              ?         
1 1 1 31 13 0  f 88.34330 3.545278  78.46052       6.242152  78.46052       6.242152  78.46052       6.242152  88.34330 3.545278  88.34330 3.545278  0.000000       0.000000  
1 1 1 31 13 1  o 72.06853 2.309792  51.98617       2.353911  52.83434       4.707822  51.13800       4.707822  72.65698 3.239759  71.48008 3.293101  1.176903       4.619583  
1 1 1 31 13 2  o 150.8263 1.641546  228.7868       3.473686  195.6700       6.947372  261.9036       6.947372  139.8478 2.483905  161.8047 2.146839  -21.95689      3.283093  
1 1 1 31 13 3  o 211.5293 1.570177  448.7631       4.679232  403.6052       9.358463  493.9210       9.358463  200.8552 2.329655  222.2035 2.105832  -21.34831      3.140353  
1 1 1 31 13 4  o 292.5864 1.916236  856.6139       7.928963  853.7930       15.85793  859.4348       15.85793  292.1044 2.714428  293.0685 2.705498  -0.9641418     3.832472  
1 1 1 31 13 5  o 90.43661 2.236568  81.89609       2.859001  78.84172       5.718002  84.95046       5.718002  88.74793 3.221485  92.12530 3.103384  -3.377365      4.473137  
1 1 1 31 13 6  o 138.8428 1.742078  193.0398       3.416506  182.1088       6.833013  203.9707       6.833013  134.9063 2.532502  142.7792 2.392860  -7.872864      3.484156  
1 1 1 31 13 7  o 96.11095 2.131733  92.46486       2.897121  90.78281       5.794242  94.14690       5.794242  95.23589 3.042048  96.98600 2.987154  -1.750107      4.263466  
1 1 1 31 13 8  o 66.73186 3.007795  44.96733       2.806586  52.70092       5.613173  37.23373       5.613173  72.52640 3.869745  60.93733 4.605693  11.58907       6.015591  
1 1 1 31 13 9  o 194.6733 1.725722  379.3085       4.750707  373.8239       9.501413  384.7929       9.501413  193.2646 2.458135  196.0820 2.422817  -2.817307      3.451445  
1 1 1 31 13 10 o 145.2029 1.876279  211.7090       3.835827  188.7703       7.671653  234.6478       7.671653  137.3040 2.793674  153.1017 2.505411  -15.79770      3.752559  
1 1 1 31 13 11 o 82.36610 2.939904  68.50644       3.392681  79.20387       6.785362  57.80900       6.785362  88.85993 3.818010  75.87227 4.471570  12.98766       5.879807  
1 1 1 31 13 12 o 101.9628 2.482178  104.3297       3.578516  101.9329       7.157033  106.7265       7.157033  100.7874 3.550558  103.1381 3.469636  -2.350655      4.964356  
1 1 1 31 13 13 o 122.9876 2.181482  151.7605       3.792941  156.3778       7.585882  147.1433       7.585882  124.8647 3.037641  121.1105 3.131804  3.754265       4.362964  
1 1 1 31 13 14 o 145.4232 2.174881  212.3380       4.469572  202.9891       8.939144  221.6870       8.939144  142.2088 3.142964  148.6376 3.007026  -6.428787      4.349762  
1 1 1 31 13 15 o 91.78700 3.722756  85.43649       4.826947  80.82396       9.653894  90.04901       9.653894  89.27438 5.406868  94.29962 5.118734  -5.025246      7.445513  
1 1 1 31 13 16 o 60.28430 5.919354  37.71976       5.027077  41.40787       10.05415  34.03164       10.05415  63.34323 7.936250  57.22536 8.784701  6.117867       11.83871  
1 1 1 31 13 17 o 67.17297 5.778081  47.08775       5.484517  49.19388       10.96903  44.98162       10.96903  68.74067 7.978562  65.60529 8.359871  3.135384       11.55616  
1 1 1 31 13 18 o 111.8999 4.302840  128.8409       6.809187  129.5032       13.61837  128.1785       13.61837  112.1958 6.069019  111.6040 6.101207  0.5918961      8.605680  
1 1 1 31 13 19 o 52.72960 9.007031  33.64091       7.442933  15.42908       14.88587  51.85275       14.88587  37.56113 14.29485  67.89807 10.96192  -30.33694      18.01406  
1 1 1 31 14 0  o 270.5555 3.691237  732.8096       19.96536  732.8096       19.96536  732.8096       19.96536  270.5555 3.691237  270.5555 3.691237  0.000000       0.000000  
1 1 1 31 14 1  o 394.2016 2.349657  1555.325       13.09899  1556.345       26.19798  1554.306       26.19798  394.3309 3.321827  394.0722 3.324007  0.2586670      4.699315  
1 1 1 31 14 2  o 243.5489 1.736243  593.4572       5.980077  596.7307       11.96015  590.1836       11.96015  244.2210 2.448634  242.8769 2.462185  1.344116       3.472486  
1 1 1 31 14 3  f 23.45102 5.290076  4.888892       2.158546  1.334201       4.317091  8.443583       4.317091  18.42884 7.479817  28.47319 7.482776  -10.04436      10.58015  
1 1 1 31 14 4  o 137.8340 1.549914  190.0759       3.021011  192.5061       6.042023  187.6458       6.042023  138.7156 2.177846  136.9525 2.205883  1.763107       3.099828  
1 1 1 31 14 5  f 193.4251 1.599232  374.3433       4.374272  368.9827       8.748544  379.7039       8.748544  192.0394 2.277799  194.8108 2.245395  -2.771423      3.198463  
1 1 1 31 14 6  o 141.7469 1.839959  202.7937       3.640462  240.2895       7.280923  165.2979       7.280923  154.9732 2.349091  128.5206 2.832590  26.45264       3.679917  
1 1 1 31 14 7  o 159.2695 1.734722  253.8412       3.907302  253.4409       7.814603  254.2414       7.814603  159.1438 2.455202  159.3951 2.451331  -0.2513123     3.469444  
1 1 1 31 14 8  o 149.4187 1.784299  223.4881       3.769116  230.2163       7.538233  216.7599       7.538233  151.6701 2.485075  147.1672 2.561112  4.502914       3.568598  
1 1 1 31 14 9  o 195.8849 1.764720  385.0598       4.869832  423.9995       9.739664  346.1202       9.739664  205.8244 2.366013  185.9455 2.618956  19.87881       3.529440  
1 1 1 31 14 10 o 162.0380 1.877927  262.9233       4.302797  267.9456       8.605594  257.9010       8.605594  163.5877 2.630269  160.4883 2.681067  3.099472       3.755853  
1 1 1 31 14 11 o 195.4490 1.863580  382.5677       5.150967  379.9708       10.30193  385.1646       10.30193  194.7846 2.644443  196.1133 2.626526  -1.328690      3.727159  
1 1 1 31 14 12 o 180.2154 1.917384  325.6068       4.884127  313.4323       9.768253  337.7814       9.768253  176.8376 2.761929  183.5931 2.660299  -6.755569      3.834767  
1 1 1 31 14 13 o 144.9191 2.121799  211.0705       4.336152  229.3967       8.672303  192.7443       8.672303  151.2421 2.867028  138.5962 3.128621  12.64581       4.243598  
1 1 1 31 14 14 o 36.98055 7.152987  14.62856       3.912067  18.06889       7.824133  11.18822       7.824133  40.99911 9.684384  32.96199 10.52965  8.037121       14.30597  
1 1 1 31 14 15 o 95.69129 3.574175  92.86513       4.826947  86.09406       9.653894  99.63619       9.653894  92.15332 5.237953  99.22926 4.864439  -7.075943      7.148351  
1 1 1 31 14 16 f 58.52600 7.056823  38.57745       5.398747  57.19909       10.79749  19.95583       10.79749  74.61731 7.235249  42.43470 12.11801  32.18261       14.11365  
1 1 1 31 14 17 o 41.22299 8.707123  18.81699       5.718002  11.61707       11.43600  26.01691       11.43600  34.54620 12.65677  47.89977 11.96086  -13.35357      17.41425  
1 1 1 31 14 18 o 47.40208 9.009729  26.14080       6.647178  38.72993       13.29436  13.55167       13.29436  58.28162 11.81734  36.52255 13.60336  21.75906       18.01946  
1 1 1 31 14 19 o 29.41362 12.75649  2.725581       13.88521  2.725581       13.88521  ?              ?         29.41362 12.75649  ?        ?         ?              ?         
1 1 1 31 15 0  o 183.3149 3.063952  336.4568       11.22635  336.4568       11.22635  336.4568       11.22635  183.3149 3.063952  183.3149 3.063952  0.000000       0.000000  
1 1 1 31 15 1  o 228.6406 1.669669  523.0161       5.398747  519.9094       10.79749  526.1229       10.79749  227.9612 2.368275  229.3200 2.354242  -1.358826      3.339338  
1 1 1 31 15 2  f 201.2534 1.582359  405.2491       4.502927  413.5355       9.005854  396.9628       9.005854  203.3121 2.214786  199.1947 2.260566  4.117371       3.164717  
1 1 1 31 15 3  o 225.4552 1.690470  508.9165       5.384452  535.3671       10.76890  482.4660       10.76890  231.3212 2.327695  219.5891 2.452058  11.73206       3.380940  
1 1 1 31 15 4  o 117.4799 1.794865  138.5186       2.968596  123.3850       5.937192  153.6523       5.937192  111.0389 2.673473  123.9208 2.395558  -12.88190      3.589730  
1 1 1 31 15 5  o 472.5026 2.872501  2236.868       19.18390  2323.005       38.36780  2150.731       38.36780  481.6176 3.983222  463.3876 4.139925  18.22998       5.745001  
1 1 1 31 15 6  o 170.4161 1.720325  290.6127       4.145552  285.3379       8.291104  295.8876       8.291104  168.8685 2.454900  171.9638 2.410712  -3.095291      3.440649  
1 1 1 31 15 7  o 174.4981 1.692033  304.7838       4.174142  313.9374       8.348284  295.6302       8.348284  177.1209 2.356662  171.8753 2.428588  5.245651       3.384065  
1 1 1 31 15 8  o 105.5969 2.237619  112.8495       3.287851  136.0122       6.575703  89.68686       6.575703  116.5644 2.820630  94.62944 3.474449  21.93499       4.475237  
1 1 1 31 15 9  o 182.3143 1.731665  333.8837       4.440981  373.5475       8.881963  294.2198       8.881963  193.1922 2.298738  171.4364 2.590454  21.75577       3.463329  
1 1 1 31 15 10 f 20.35924 6.173650  -0.3144901     3.187786  -0.9815904     6.375573  0.3526102      6.375573  19.83871 8.624539  20.87976 8.835900  -1.041046      12.34730  
1 1 1 31 15 11 o 227.8022 1.966536  519.9904       6.332687  502.4218       12.66537  537.5590       12.66537  223.9461 2.827773  231.6583 2.733633  -7.712219      3.933071  
1 1 1 31 15 12 o 166.4845 1.991561  277.8425       4.688762  274.4641       9.377523  281.2209       9.377523  165.4699 2.833605  167.4991 2.799276  -2.029251      3.983122  
1 1 1 31 15 13 o 140.9621 2.171857  199.4535       4.326622  190.9336       8.653244  207.9733       8.653244  137.9400 3.136596  143.9841 3.004930  -6.044067      4.343713  
1 1 1 31 15 14 o 106.4867 2.750895  114.0885       4.140787  118.0767       8.281574  110.1001       8.281574  108.3594 3.821346  104.6140 3.958156  3.745346       5.501789  
1 1 1 31 15 15 o 43.58266 7.155637  20.71346       4.336152  22.84342       8.672303  18.58351       8.672303  45.93594 9.736214  41.22938 10.48898  4.706562       14.31127  
1 1 1 31 15 16 o 67.60590 5.729677  48.06458       5.327272  60.51553       10.65454  35.61362       10.65454  76.81438 6.935254  58.39741 9.122446  18.41697       11.45935  
1 1 1 31 15 17 o 54.56775 7.926839  33.21206       6.013433  24.28245       12.02687  42.14168       12.02687  46.08310 12.66416  63.05239 9.537199  -16.96930      15.85368  
1 1 1 31 15 18 o 29.95148 8.647491  -0.4622048     6.742478  -16.91576      13.48496  15.99135       13.48496  21.72597 10.46756  38.17701 13.76759  -16.45104      17.29498  
1 1 1 31 15 19 o 97.72751 5.659011  101.9996       7.805074  94.91885       15.61015  109.0804       15.61015  94.10479 8.294023  101.3502 7.701091  -7.245445      11.31802  
1 1 1 31 16 0  o 251.0115 3.880342  630.9530       19.46980  630.9530       19.46980  630.9530       19.46980  251.0115 3.880342  251.0115 3.880342  0.000000       0.000000  
1 1 1 31 16 1  o 142.4388 1.554181  202.9843       3.130606  205.0285       6.261212  200.9401       6.261212  143.1564 2.186843  141.7213 2.208988  1.435135       3.108362  
1 1 1 31 16 2  f 184.9441 1.692545  342.2415       4.426687  345.7295       8.853374  338.7535       8.853374  185.8871 2.381385  184.0011 2.405793  1.885956       3.385091  
1 1 1 31 16 3  f 172.9730 1.537004  299.3517       3.759587  295.4016       7.519173  303.3019       7.519173  171.8312 2.187954  174.1149 2.159256  -2.283707      3.074009  
1 1 1 31 16 4  f 333.3172 2.025186  1112.032       9.544299  1085.401       19.08860  1138.664       19.08860  329.3222 2.898164  337.3121 2.829516  -7.989899      4.050372  
1 1 1 31 16 5  o 33.23013 5.897474  11.55989       2.792291  13.78039       5.584582  9.339403       5.584582  36.30781 7.910410  30.15244 8.749071  6.155375       11.79495  
1 1 1 31 16 6  o 116.2835 1.977401  136.0599       3.225906  155.8060       6.451812  116.3137       6.451812  124.7740 2.585398  107.7930 2.992686  16.98106       3.954802  
1 1 1 31 16 7  o 147.4614 1.776795  217.7368       3.702406  227.7671       7.404812  207.7064       7.404812  150.8624 2.454161  144.0604 2.570037  6.802002       3.553589  
1 1 1 31 16 8  o 156.9925 1.738714  246.7128       3.859652  241.4617       7.719304  251.9638       7.719304  155.3201 2.484966  158.6649 2.432581  -3.344772      3.477429  
1 1 1 31 16 9  f 123.0880 2.004530  152.8565       3.449862  179.2308       6.899723  126.4822       6.899723  133.8016 2.578341  112.3744 3.069970  21.42717       4.009059  
1 1 1 31 16 10 o 110.2893 2.376938  121.9316       3.707171  123.3945       7.414343  120.4688       7.414343  110.9525 3.341224  109.6261 3.381650  1.326378       4.753876  
1 1 1 31 16 11 o 132.3860 2.232059  175.7142       4.178907  175.8190       8.357814  175.6094       8.357814  132.4256 3.155664  132.3464 3.157552  0.7919312E-01  4.464118  
1 1 1 31 16 12 o 148.3413 2.102690  221.8632       4.374272  188.9514       8.748544  254.7751       8.748544  137.2480 3.187129  159.4346 2.743615  -22.18658      4.205380  
1 1 1 31 16 13 o 46.14456 6.001235  23.62011       3.726231  36.57615       7.452463  10.66407       7.452463  60.05960 6.204223  32.22952 10.27458  27.83008       12.00247  
1 1 1 31 16 14 o 154.5046 2.300577  239.9178       5.022312  228.2436       10.04462  251.5921       10.04462  150.7267 3.332066  158.2826 3.173003  -7.555923      4.601153  
1 1 1 31 16 15 f 70.57726 4.716356  50.91881       4.703057  48.43148       9.406114  53.40615       9.406114  68.81512 6.834336  72.33939 6.501377  -3.524269      9.432712  
1 1 1 31 16 16 o 144.9409 2.843122  211.9902       5.827598  210.2033       11.65520  213.7770       11.65520  144.3245 4.037845  145.5573 4.003645  -1.232849      5.686243  
1 1 1 31 16 17 o 57.09749 7.820681  36.39985       6.137322  45.31517       12.27464  27.48453       12.27464  65.30911 9.397346  48.88586 12.50368  16.42325       15.64136  
1 1 1 31 16 18 o 114.2279 4.479900  135.4404       7.214212  123.4898       14.42842  147.3910       14.42842  108.9969 6.618734  119.4590 6.039072  -10.46208      8.959801  
1 1 1 31 16 19 o 52.73987 14.67066  35.81376       16.02947  35.81376       16.02947  ?              ?         52.73987 14.67066  ?        ?         ?              ?         
1 1 1 31 17 0  o 507.2168 5.786767  2578.000       58.68576  2578.000       58.68576  2578.000       58.68576  507.2168 5.786767  507.2168 5.786767  0.000000       0.000000  
1 1 1 31 17 1  o 270.7778 1.831886  733.7627       7.014082  747.3048       14.02816  720.2205       14.02816  273.2784 2.566644  268.2772 2.614491  5.001190       3.663772  
1 1 1 31 17 2  o 104.9282 1.684608  110.2478       2.496861  116.4185       4.993722  104.0772       4.993722  107.8686 2.314724  101.9878 2.448196  5.880852       3.369215  
1 1 1 31 17 3  o 98.75230 1.941456  97.59201       2.711286  98.51164       5.422573  96.67236       5.422573  99.21793 2.732657  98.28667 2.758549  0.9312592      3.882912  
1 1 1 31 17 4  o 99.89210 1.985171  100.7131       2.768466  119.2108       5.536932  82.21534       5.536932  109.1510 2.536364  90.63324 3.054581  18.51772       3.970341  
1 1 1 31 17 5  o 130.2443 1.702598  169.7675       3.135371  173.9035       6.270743  165.6315       6.270743  131.8321 2.378306  128.6565 2.437009  3.175583       3.405195  
1 1 1 31 17 6  o 290.5712 2.012078  845.2495       8.267279  860.0161       16.53456  830.4827       16.53456  293.1122 2.820517  288.0302 2.870282  5.081970       4.024156  
1 1 1 31 17 7  o 61.56844 3.148574  38.10571       2.730346  42.05590       5.460692  34.15553       5.460692  64.77640 4.215032  58.36047 4.678417  6.415928       6.297149  
1 1 1 31 17 8  o 43.27620 5.130632  19.45074       3.011481  15.02882       6.022963  23.87266       6.022963  37.83982 8.189913  48.71259 6.182142  -10.87277      10.26126  
1 1 1 31 17 9  f 170.7305 1.855583  292.5378       4.464807  264.5338       8.929614  320.5417       8.929614  162.5293 2.747078  178.9317 2.495257  -16.40242      3.711165  
1 1 1 31 17 10 o 40.69180 5.921475  17.40655       3.292616  17.12542       6.585233  17.68769       6.585233  40.34121 8.435328  41.04239 8.312685  -0.7011719     11.84295  
1 1 1 31 17 11 o 113.7143 2.474261  129.7844       3.978776  128.1500       7.957553  131.4188       7.957553  112.9957 3.521176  114.4330 3.476950  -1.437294      4.948521  
1 1 1 31 17 12 o 63.39017 4.030820  40.63594       3.611871  42.03685       7.223743  39.23503       7.223743  64.49516 5.600222  62.28518 5.798926  2.209980       8.061640  
1 1 1 31 17 13 o 82.60498 3.500441  69.29265       4.050251  80.19498       8.100503  58.39034       8.100503  89.20405 4.540435  76.00591 5.328865  13.19814       7.000882  
1 1 1 31 17 14 o 30.85485 7.708465  8.905789       4.250381  11.35023       8.500763  6.461343       8.500763  33.25507 10.99184  28.45463 10.81023  4.800447       15.41693  
1 1 1 31 17 15 o 62.55883 5.584848  41.00284       4.807887  30.45790       9.615773  51.54779       9.615773  54.13080 8.881981  70.98686 6.772925  -16.85606      11.16970  
1 1 1 31 17 16 o 113.6215 3.551441  133.2247       5.560757  99.35029       11.12151  167.0991       11.12151  98.71481 5.633154  128.5282 4.326489  -29.81337      7.102882  
1 1 1 31 17 17 o 33.68673 8.925221  10.76890       5.799007  7.995674       11.59801  13.54214       11.59801  31.51875 12.45813  35.85471 12.78410  -4.335958      17.85044  
1 1 1 31 17 18 o 72.57503 6.820044  57.59458       6.899723  67.91080       13.79945  47.27835       13.79945  79.68231 8.659039  65.46775 10.53912  14.21456       13.64009  
1 1 1 31 17 19 o 45.57125 15.17889  28.39941       16.21054  28.39941       16.21054  ?              ?         45.57125 15.17889  ?        ?         ?              ?         
1 1 1 31 18 0  o 175.0232 4.006739  307.0472       14.00911  307.0472       14.00911  307.0472       14.00911  175.0232 4.006739  175.0232 4.006739  0.000000       0.000000  
1 1 1 31 18 1  o 147.1398 1.623164  216.7790       3.373621  228.9107       6.747242  204.6473       6.747242  151.2623 2.230312  143.0173 2.358890  8.245010       3.246329  
1 1 1 31 18 2  o 393.9038 2.378810  1553.229       13.25147  1549.703       26.50294  1556.755       26.50294  393.4562 3.367966  394.3514 3.360321  -0.8951721     4.757620  
1 1 1 31 18 3  o 60.33154 3.030882  36.53803       2.577866  39.87354       5.155732  33.20253       5.155732  63.09585 4.085635  57.56723 4.478010  5.528622       6.061764  
1 1 1 31 18 4  o 188.0880 1.699011  354.0968       4.517222  341.6792       9.034444  366.5144       9.034444  184.7870 2.444557  191.3890 2.360231  -6.602020      3.398021  
1 1 1 31 18 5  o 54.42181 3.618385  29.76220       2.777996  32.16376       5.555993  27.36064       5.555993  56.62825 4.905672  52.21538 5.320264  4.412868       7.236769  
1 1 1 31 18 6  o 140.9602 1.784023  199.6298       3.535631  224.4602       7.071262  174.7993       7.071262  149.7678 2.360741  132.1526 2.675415  17.61520       3.568045  
1 1 1 31 18 7  o 195.2402 1.840947  382.2246       5.069962  413.8404       10.13992  350.6089       10.13992  203.3368 2.493382  187.1435 2.709131  16.19327       3.681894  
1 1 1 31 18 8  o 50.27301 4.550947  25.44987       3.235436  25.72148       6.470873  25.17827       6.470873  50.54314 6.401336  50.00288 6.470500  0.5402565      9.101893  
1 1 1 31 18 9  o 118.9120 2.178286  141.7731       3.659522  149.0493       7.319043  134.4969       7.319043  121.9715 3.000309  115.8526 3.158775  6.118935       4.356572  
1 1 1 31 18 10 o 93.86804 2.741152  88.47179       3.635697  84.22617       7.271393  92.71741       7.271393  91.60655 3.968817  96.12952 3.782081  -4.522972      5.482303  
1 1 1 31 18 11 o 109.6341 2.721502  120.8690       4.212262  129.0458       8.424523  112.6923       8.424523  113.3632 3.715724  105.9050 3.977398  7.458214       5.443005  
1 1 1 31 18 12 o 138.6278 2.260387  192.8682       4.431452  193.5353       8.862904  192.2011       8.862904  138.8684 3.191117  138.3872 3.202213  0.4812012      4.520774  
1 1 1 31 18 13 o 154.5090 2.183132  239.7654       4.765002  252.8024       9.530005  226.7283       9.530005  158.7279 3.001994  150.2902 3.170535  8.437744       4.366264  
1 1 1 31 18 14 o 54.16357 5.757503  30.32448       4.407627  31.47760       8.815253  29.17134       8.815253  55.22806 7.980774  53.09909 8.300758  2.128971       11.51501  
1 1 1 31 18 15 o 43.64014 7.362816  20.59434       4.898422  31.48713       9.796844  9.701544       9.796844  54.99060 8.907745  32.28969 11.72588  22.70091       14.72563  
1 1 1 31 18 16 o 69.04852 5.712225  49.87527       5.546463  44.01909       11.09293  55.73146       11.09293  64.80789 8.558312  73.28915 7.567917  -8.481262      11.42445  
1 1 1 31 18 17 o 95.96321 4.774851  95.88613       6.418458  110.5766       12.83692  81.19563       12.83692  103.6174 6.194379  88.30898 7.268182  15.30847       9.549702  
1 1 1 31 18 18 o 41.28586 9.665731  19.89388       6.971198  10.63548       13.94240  29.15228       13.94240  34.04942 13.59574  48.52230 13.74269  -14.47288      19.33146  
1 1 1 31 18 19 o 27.50748 12.65366  -0.6861603     16.08665  -0.6861603     16.08665  ?              ?         27.50748 12.65366  ?        ?         ?              ?         
1 1 1 31 19 0  o 19.96028 11.57372  5.069962       7.404812  5.069962       7.404812  5.069962       7.404812  19.96028 11.57372  19.96028 11.57372  0.000000       0.000000  
1 1 1 31 19 1  f 110.8661 1.977557  126.0248       2.987656  87.44731       5.975312  164.6022       5.975312  93.46793 3.196451  128.2643 2.329296  -34.79642      3.955113  
1 1 1 31 19 2  o 126.9067 1.932991  161.3287       3.464156  151.2983       6.928313  171.3590       6.928313  122.9548 2.817422  130.8586 2.647253  -7.903709      3.865981  
1 1 1 31 19 3  o 111.5718 1.938651  124.8383       3.049601  136.0694       6.099203  113.6072       6.099203  116.6050 2.615327  106.5387 2.862435  10.06627       3.877302  
1 1 1 31 19 4  o 70.88528 2.641113  51.52873       2.554041  35.99483       5.108082  67.06264       5.108082  59.92820 4.261835  81.84235 3.120683  -21.91415      5.282225  
1 1 1 31 19 5  o 210.4639 1.794097  443.4835       5.336802  461.0997       10.67360  425.8673       10.67360  214.6490 2.486292  206.2789 2.587179  8.370163       3.588195  
1 1 1 31 19 6  o 219.3475 1.800932  481.6749       5.584582  466.8653       11.16916  496.4846       11.16916  215.9717 2.585794  222.7233 2.507408  -6.751663      3.601864  
1 1 1 31 19 7  o 52.11132 4.230173  27.31775       3.116311  26.45529       6.232623  28.18022       6.232623  51.28380 6.076601  52.93884 5.886625  -1.655045      8.460345  
1 1 1 31 19 8  f 147.3831 1.986856  217.5557       4.140787  221.2200       8.281574  213.8914       8.281574  148.6263 2.786040  146.1400 2.833437  2.486221       3.973712  
1 1 1 31 19 9  o 106.3116 2.501426  114.5840       3.697641  90.58269       7.395282  138.5853       7.395282  95.02344 3.891294  117.5998 3.144258  -22.57637      5.002852  
1 1 1 31 19 10 o 120.1844 2.366188  144.8942       4.021661  143.9602       8.043323  145.8281       8.043323  119.7959 3.357096  120.5729 3.335460  -0.7770920     4.732376  
1 1 1 31 19 11 o 64.45152 4.384061  42.76112       3.888242  31.56337       7.776483  53.95889       7.776483  55.76456 6.972604  73.13847 5.316274  -17.37392      8.768122  
1 1 1 31 19 12 o 147.9517 2.168412  219.8190       4.531517  207.2966       9.063033  232.3415       9.063033  143.7197 3.153024  152.1836 2.977665  -8.463882      4.336825  
1 1 1 31 19 13 o 118.7037 2.767034  142.3306       4.617287  160.1517       9.234573  124.5095       9.234573  126.2103 3.658408  111.1972 4.152342  15.01310       5.534067  
1 1 1 31 19 14 o 50.12312 6.688261  27.00803       4.593462  20.40374       9.186924  33.61232       9.186924  43.16243 10.68546  57.08382 8.046871  -13.92140      13.37652  
1 1 1 31 19 15 f 68.14101 5.451677  48.71738       5.103317  35.82328       10.20663  61.61147       10.20663  58.67968 8.696907  77.60234 6.576241  -18.92266      10.90335  
1 1 1 31 19 16 o 25.21100 7.441592  -6.747242      5.398747  10.80702       10.79749  -24.30151      10.79749  33.53196 12.29707  16.89004 8.383986  16.64193       14.88318  
1 1 1 31 19 17 o 30.81568 8.091912  -5.961017      6.609057  23.09120       13.21811  -35.01323      13.21811  44.16923 13.61813  17.46213 8.744295  26.70710       16.18382  
1 1 1 31 19 18 f 77.14079 6.388677  65.09469       6.847308  52.17677       13.69462  78.01261       13.69462  68.76785 9.957136  85.51374 8.007259  -16.74590      12.77735  
1 1 1 31 20 0  o 51.13993 7.695757  27.41782       7.509643  27.41782       7.509643  27.41782       7.509643  51.13993 7.695757  51.13993 7.695757  0.000000       0.000000  
1 1 1 31 20 1  o 118.4503 1.880884  140.8725       3.135371  124.8526       6.270743  156.8924       6.270743  111.6880 2.807258  125.2126 2.504038  -13.52460      3.761769  
1 1 1 31 20 2  o 99.56487 2.152434  99.24546       3.030541  97.88267       6.061082  100.6083       6.061082  98.88049 3.064852  100.2492 3.023007  -1.368752      4.304868  
1 1 1 31 20 3  o 135.1719 1.914459  182.8903       3.659522  185.0727       7.319043  180.7079       7.319043  135.9792 2.691237  134.3647 2.723575  1.614517       3.828918  
1 1 1 31 20 4  o 197.8195 1.751616  392.7411       4.879362  434.5491       9.758724  350.9329       9.758724  208.3867 2.341494  187.2522 2.605770  21.13449       3.503232  
1 1 1 31 20 5  o 55.18591 3.863098  30.98204       2.954301  23.90125       5.908603  38.06284       5.908603  48.77050 6.057558  61.60130 4.795842  -12.83080      7.726196  
1 1 1 31 20 6  o 93.46841 2.519644  89.12460       3.240201  112.7495       6.480402  65.49971       6.480402  106.1063 3.053731  80.83053 4.008636  25.27578       5.039289  
1 1 1 31 20 7  f 232.5122 1.834624  542.1095       6.018198  585.3328       12.03640  498.8861       12.03640  241.8071 2.488843  223.2174 2.696115  18.58972       3.669247  
1 1 1 31 20 8  o 125.4995 2.081293  157.8168       3.692876  162.1911       7.385753  153.4426       7.385753  127.2423 2.902240  123.7568 2.983979  3.485489       4.162587  
1 1 1 31 20 9  o 139.1140 2.201489  194.5121       4.312327  173.6653       8.624654  215.3590       8.624654  131.6212 3.276315  146.6067 2.941425  -14.98547      4.402978  
1 1 1 31 20 10 o 96.15457 2.700307  93.70853       3.621402  111.4725       7.242803  75.94460       7.242803  105.3917 3.436134  86.91740 4.166486  18.47434       5.400613  
1 1 1 31 20 11 o 116.4287 2.501685  136.5030       4.102666  122.4892       8.205333  150.5169       8.205333  110.4104 3.715832  122.4469 3.350569  -12.03644      5.003371  
1 1 1 31 20 12 o 162.5897 2.232851  266.4018       5.103317  299.8902       10.20663  232.9133       10.20663  172.8882 2.951802  152.2913 3.351023  20.59689       4.465702  
1 1 1 31 20 13 o 88.70837 3.852006  80.13779       4.798357  90.94482       9.596713  69.33078       9.596713  94.79970 5.061574  82.61706 5.807950  12.18264       7.704012  
1 1 1 31 20 14 o 103.9085 3.507160  109.5093       5.136672  119.6587       10.27334  99.35982       10.27334  108.7923 4.721540  99.02462 5.187268  9.767685       7.014321  
1 1 1 31 20 15 o 56.50333 7.081868  34.49862       5.479752  28.59954       10.95950  40.39769       10.95950  50.82840 11.08796  62.17826 8.812972  -11.34986      14.16374  
1 1 1 31 20 16 o 45.22381 7.864875  22.04290       5.961017  4.641112       11.92203  39.44469       11.92203  29.69167 12.29476  60.75594 9.811416  -31.06427      15.72975  
1 1 1 31 20 17 o 99.20816 4.843166  102.6620       6.785362  108.7278       13.57072  96.59612       13.57072  102.2653 6.635059  96.15102 7.056984  6.114265       9.686333  
1 1 1 31 20 18 o 50.76051 13.98769  32.29718       14.64762  32.29718       14.64762  ?              ?         50.76051 13.98769  ?        ?         ?              ?         
1 1 1 31 21 0  o 40.16538 11.69723  19.84147       8.148153  19.84147       8.148153  19.84147       8.148153  40.16538 11.69723  40.16538 11.69723  0.000000       0.000000  
1 1 1 31 21 1  o 293.9416 1.892510  865.5054       7.857488  914.8137       15.71498  816.1972       15.71498  302.3290 2.598986  285.5542 2.751663  16.77484       3.785020  
1 1 1 31 21 2  o 74.01126 2.686104  54.87853       2.811351  55.49321       5.622702  54.26384       5.622702  74.42652 3.777351  73.59599 3.819979  0.8305283      5.372208  
1 1 1 31 21 3  o 58.68736 3.472941  35.22766       2.797056  25.49276       5.594112  44.96256       5.594112  50.39349 5.550432  66.98122 4.175881  -16.58773      6.945882  
1 1 1 31 21 4  o 263.6179 1.876353  695.6140       6.995024  702.3232       13.99005  688.9048       13.99005  264.8904 2.640724  262.3453 2.666342  2.545013       3.752706  
1 1 1 31 21 5  o 173.9219 1.908921  302.9016       4.693527  293.4860       9.387053  312.3173       9.387053  171.2150 2.741305  176.6288 2.657284  -5.413712      3.817841  
1 1 1 31 21 6  o 119.7392 2.084643  143.6886       3.526102  151.5366       7.052203  135.8407       7.052203  123.0163 2.866370  116.4621 3.027683  6.554207       4.169286  
1 1 1 31 21 7  o 129.1589 2.079248  167.3898       3.788176  153.5855       7.576353  181.1940       7.576353  123.8150 3.059545  134.5028 2.816429  -10.68777      4.158496  
1 1 1 31 21 8  o 81.71598 3.107190  68.20147       3.497512  50.53761       6.995024  85.86534       6.995024  70.90790 4.932471  92.52406 3.780110  -21.61617      6.214379  
1 1 1 31 21 9  o 180.9036 1.994035  328.5088       5.089022  302.1011       10.17804  354.9164       10.17804  173.6048 2.931383  188.2025 2.704015  -14.59764      3.988070  
1 1 1 31 21 10 o 46.69012 6.217635  22.99113       3.954952  22.90060       7.909904  23.08167       7.909904  46.59355 8.809140  46.78669 8.776958  -0.1931419     12.43527  
1 1 1 31 21 11 o 203.4104 1.999468  415.6273       5.737062  449.8257       11.47412  381.4289       11.47412  211.8166 2.708504  195.0041 2.942021  16.81252       3.998935  
1 1 1 31 21 12 o 171.1384 2.272006  294.0340       5.498813  295.2776       10.99763  292.7903       10.99763  171.5017 3.206273  170.7750 3.219916  0.7266998      4.544012  
1 1 1 31 21 13 o 122.0906 2.861903  150.3835       4.936542  158.0361       9.873084  142.7309       9.873084  125.2246 3.942151  118.9566 4.149868  6.267960       5.723807  
1 1 1 31 21 14 o 108.2523 3.372560  118.7391       5.150967  109.4521       10.30193  128.0261       10.30193  103.9628 4.954624  112.5418 4.576935  -8.579018      6.745120  
1 1 1 31 21 15 o 83.53334 4.547577  71.72281       5.360627  77.02149       10.72125  66.42413       10.72125  86.70494 6.182609  80.36175 6.670620  6.343193       9.095154  
1 1 1 31 21 16 o 55.90096 8.343860  35.77563       6.537583  25.38793       13.07517  46.16334       13.07517  46.40324 13.36225  65.39868 9.996505  -18.99544      16.68772  
1 1 1 31 21 17 o 134.6004 3.675015  185.7398       6.995024  183.2334       13.99005  188.2462       13.99005  133.6693 5.233081  135.5314 5.161182  -1.862091      7.350030  
1 1 1 31 21 18 o 25.87251 12.05837  -7.042673      15.22895  -7.042673      15.22895  ?              ?         25.87251 12.05837  ?        ?         ?              ?         
1 1 1 31 22 0  o 88.26031 4.473002  78.59394       7.852723  78.59394       7.852723  78.59394       7.852723  88.26031 4.473002  88.26031 4.473002  0.000000       0.000000  
1 1 1 31 22 1  o 114.4489 1.990634  131.1376       3.221142  134.5160       6.442283  127.7592       6.442283  115.9249 2.778646  112.9730 2.851249  2.951881       3.981268  
1 1 1 31 22 2  o 216.5663 1.792634  470.0007       5.479752  503.6130       10.95950  436.3884       10.95950  224.3266 2.442756  208.8060 2.624327  15.52057       3.585268  
1 1 1 31 22 3  o 114.8491 2.021087  132.1716       3.278321  140.0148       6.556643  124.3284       6.556643  118.2636 2.772046  111.4345 2.941927  6.829140       4.042174  
1 1 1 31 22 4  o 221.9944 1.763939  495.6078       5.498813  563.2614       10.99763  427.9543       10.99763  237.2321 2.317904  206.7568 2.659556  30.47533       3.527877  
1 1 1 31 22 5  o 45.22531 5.404475  21.39486       3.292616  15.51485       6.585233  27.27487       6.585233  38.39639 8.764888  52.05424 6.325356  -13.65786      10.80895  
1 1 1 31 22 6  o 56.22745 4.105134  31.84927       3.259262  29.81938       6.518523  33.87916       6.518523  54.42237 5.988826  58.03252 5.616267  -3.610142      8.210267  
1 1 1 31 22 7  o 201.8088 1.838824  408.9229       5.227207  450.8359       10.45441  367.0100       10.45441  212.1931 2.463420  191.4245 2.730689  20.76866       3.677649  
1 1 1 31 22 8  o 54.98872 4.553039  30.53890       3.540397  31.00110       7.080793  30.07669       7.080793  55.40899 6.389571  54.56844 6.487992  0.8405457      9.106078  
1 1 1 31 22 9  o 91.11826 3.026014  84.71697       3.812001  105.0969       7.624003  64.33705       7.624003  102.3015 3.726243  79.93504 4.768874  22.36645       6.052028  
1 1 1 31 22 10 o 137.9952 2.433061  191.8914       4.722116  214.9778       9.444233  168.8050       9.444233  146.3601 3.226368  129.6303 3.642758  16.72987       4.866121  
1 1 1 31 22 11 o 140.3894 2.416873  200.4255       4.707822  244.8258       9.415645  156.0252       9.415645  156.2027 3.013919  124.5761 3.779072  31.62655       4.833745  
1 1 1 31 22 12 o 81.96304 3.902361  68.29200       4.498162  60.09620       8.996324  76.48781       8.996324  76.96336 5.844551  86.96274 5.172516  -9.999382      7.804723  
1 1 1 31 22 13 o 96.26131 3.514574  93.78001       4.784062  92.27902       9.568124  95.28098       9.568124  95.48167 5.010450  97.04095 4.929941  -1.559280      7.029149  
1 1 1 31 22 14 f 69.05154 5.316298  49.18435       5.179556  52.92965       10.35911  45.43906       10.35911  71.76350 7.217537  66.33958 7.807642  5.423912       10.63260  
1 1 1 31 22 15 o 26.00620 7.605381  -4.498162      5.455927  11.27399       10.91185  -20.27032      10.91185  33.98872 12.37201  18.02368 8.848767  15.96504       15.21076  
1 1 1 31 22 16 o 28.21703 8.477227  -0.4812656     6.351747  9.787313       12.70349  -10.74985      12.70349  33.50167 13.09472  22.93238 10.76949  10.56929       16.95445  
1 1 1 31 22 17 o 32.91584 9.324340  9.101154       6.709123  4.669702       13.41825  13.53261       13.41825  30.09229 12.78053  35.73939 13.58055  -5.647099      18.64868  
1 1 1 31 22 18 o 51.58212 14.79927  39.27314       16.06759  39.27314       16.06759  ?              ?         51.58212 14.79927  ?        ?         ?              ?         
1 1 1 31 23 0  o 114.3404 3.919091  131.3425       8.939144  131.3425       8.939144  131.3425       8.939144  114.3404 3.919091  114.3404 3.919091  0.000000       0.000000  
1 1 1 31 23 1  o 173.0291 1.835402  300.4381       4.474337  270.4329       8.948673  330.4434       8.948673  164.3585 2.722304  181.6996 2.462491  -17.34114      3.670804  
1 1 1 31 23 2  o 166.4209 1.815553  278.0093       4.255147  307.2569       8.510294  248.7617       8.510294  175.2081 2.428625  157.6336 2.699391  17.57446       3.631105  
1 1 1 31 23 3  o 245.8376 1.970193  605.5269       6.842543  637.4525       13.68509  573.6014       13.68509  252.3308 2.711735  239.3444 2.858869  12.98640       3.940385  
1 1 1 31 23 4  f 53.56046 4.257733  28.99504       3.202081  32.95475       6.404162  25.03532       6.404162  57.25695 5.592476  49.86396 6.421634  7.392982       8.515467  
1 1 1 31 23 5  o 125.3750 2.173640  157.5739       3.850122  165.7363       7.700243  149.4114       7.700243  128.6303 2.993170  122.1198 3.152741  6.510429       4.347280  
1 1 1 31 23 6  o 164.2632 1.949476  270.3329       4.526752  279.4578       9.053504  261.2079       9.053504  167.0407 2.709969  161.4856 2.803192  5.555084       3.898951  
1 1 1 31 23 7  o 65.82141 4.050425  44.22399       3.692876  54.40680       7.385753  34.04118       7.385753  73.55659 5.020457  58.08623 6.357576  15.47036       8.100849  
1 1 1 31 23 8  o 80.54602 3.395982  65.46160       3.854887  59.20991       7.709774  71.71327       7.709774  76.66521 5.028209  84.42683 4.565950  -7.761627      6.791965  
1 1 1 31 23 9  o 129.9174 2.358333  169.7674       4.317091  186.4736       8.634183  153.0614       8.634183  136.3469 3.166256  123.4879 3.495964  12.85901       4.716667  
1 1 1 31 23 10 o 87.86922 3.418089  78.20799       4.217027  67.51055       8.434053  88.90541       8.434053  81.78208 5.156419  93.95634 4.488283  -12.17426      6.836179  
1 1 1 31 23 11 o 143.7456 2.419962  209.1836       4.860302  246.2744       9.720604  172.0928       9.720604  156.6471 3.102708  130.8440 3.714576  25.80305       4.839925  
1 1 1 31 23 12 o 73.14206 4.719457  56.39380       4.636347  76.17332       9.272694  36.61428       9.272694  86.66336 5.349835  59.62075 7.776398  27.04261       9.438914  
1 1 1 31 23 13 o 71.04552 5.028062  52.11006       4.993722  43.24715       9.987444  60.97296       9.987444  64.80803 7.705407  77.28300 6.461606  -12.47497      10.05612  
1 1 1 31 23 14 o 77.66349 4.843719  62.05462       5.308212  66.69096       10.61642  57.41827       10.61642  80.64838 6.581921  74.67860 7.108077  5.969788       9.687437  
1 1 1 31 23 15 o 105.5238 4.008645  113.9407       5.975312  120.1257       11.95062  107.7557       11.95062  108.4544 5.509515  102.5932 5.824276  5.861214       8.017290  
1 1 1 31 23 16 o 53.90090 8.691345  34.09359       6.508993  28.77108       13.01799  39.41610       13.01799  49.11829 13.03333  58.68351 11.50174  -9.565224      17.38269  
1 1 1 31 23 17 o 99.19540 5.637954  105.2494       7.857488  92.25043       15.71498  118.2483       15.71498  92.64321 8.481450  105.7476 7.430419  -13.10437      11.27591  
1 1 1 31 24 0  o 86.36758 5.231378  75.57293       8.967733  75.57293       8.967733  75.57293       8.967733  86.36758 5.231378  86.36758 5.231378  0.000000       0.000000  
1 1 1 31 24 1  o 204.2771 1.773476  417.7715       5.122376  427.4969       10.24475  408.0462       10.24475  206.6576 2.478679  201.8967 2.537128  4.760880       3.546952  
1 1 1 31 24 2  o 105.9186 2.375594  114.6936       3.449862  146.8860       6.899723  82.50124       6.899723  121.1154 2.848409  90.72192 3.802677  30.39346       4.751188  
1 1 1 31 24 3  o 191.1104 1.840571  366.1237       4.965132  392.0548       9.930264  340.1925       9.930264  197.8948 2.508976  184.3261 2.693667  13.56866       3.681141  
1 1 1 31 24 4  o 23.65594 6.240445  2.344381       3.178256  8.662774       6.356512  -3.974012      6.356512  29.52195 9.496922  17.78992 8.098215  11.73203       12.48089  
1 1 1 31 24 5  o 152.2697 2.052850  232.3939       4.417156  243.0342       8.834313  221.7536       8.834313  155.7636 2.835808  148.7758 2.969002  6.987778       4.105700  
1 1 1 31 24 6  o 106.7604 2.594704  114.3219       3.916832  116.8188       7.833663  111.8251       7.833663  107.9298 3.629055  105.5910 3.709435  2.338753       5.189408  
1 1 1 31 24 7  o 111.7542 2.560734  126.3440       3.997837  148.8968       7.995674  103.7913       7.995674  121.8445 3.281098  101.6638 3.932409  20.18069       5.121469  
1 1 1 31 24 8  o 42.74869 6.502944  19.26490       3.902537  14.60950       7.805074  23.92031       7.805074  37.05709 10.21018  48.44028 8.056388  -11.38319      13.00589  
1 1 1 31 24 9  f 31.42178 7.516824  8.591298       4.307562  1.944121       8.615124  15.23848       8.615124  25.06933 10.42039  37.77424 10.83633  -12.70492      15.03365  
1 1 1 31 24 10 o 84.86952 3.661853  73.69075       4.307562  90.35397       8.615124  57.02755       8.615124  94.68648 4.549289  75.05257 5.739393  19.63391       7.323706  
1 1 1 31 24 11 o 126.2678 2.853506  160.6473       5.089022  151.3651       10.17804  169.9295       10.17804  122.5922 4.151179  129.9434 3.916337  -7.351227      5.707012  
1 1 1 31 24 12 o 88.23802 3.967549  79.10856       4.946072  83.12070       9.892144  75.09643       9.892144  90.51149 5.464580  85.96455 5.753619  4.546944       7.935097  
1 1 1 31 24 13 o 153.8814 2.758513  239.3984       5.975312  265.7346       11.95062  213.0623       11.95062  162.4387 3.678503  145.3242 4.111713  17.11456       5.517025  
1 1 1 31 24 14 o 57.11721 7.283048  35.57550       5.708472  29.91468       11.41694  41.23633       11.41694  51.69468 11.35144  62.53975 9.127752  -10.84506      14.56610  
1 1 1 31 24 15 o 72.67128 6.787703  59.14321       6.318392  36.42368       12.63678  81.86274       12.63678  56.63270 11.55686  88.70986 7.122538  -32.07716      13.57541  
1 1 1 31 24 16 o 152.3835 3.376364  237.0589       7.276158  236.7920       14.55232  237.3257       14.55232  152.2960 4.777642  152.4711 4.772155  -0.1751251     6.752728  
1 1 1 31 24 17 o 93.28966 5.814909  94.02779       7.652593  86.93269       15.30519  101.1229       15.30519  89.48694 8.551632  97.09238 7.881765  -7.605438      11.62982  
1 1 1 31 25 0  o 123.2173 3.930081  152.4991       9.663424  152.4991       9.663424  152.4991       9.663424  123.2173 3.930081  123.2173 3.930081  0.000000       0.000000  
1 1 1 31 25 1  o 182.1249 1.712661  332.4685       4.402863  356.0123       8.805723  308.9246       8.805723  188.5886 2.334639  175.6613 2.506450  12.92732       3.425322  
1 1 1 31 25 2  o 200.7361 1.797686  403.7005       5.098552  383.5445       10.19710  423.8565       10.19710  195.7156 2.605082  205.7566 2.477952  -10.04103      3.595372  
1 1 1 31 25 3  o 64.61885 3.684514  42.28463       3.330736  35.18478       6.661473  49.38448       6.661473  59.12521 5.633361  70.11249 4.750561  -10.98727      7.369029  
1 1 1 31 25 4  f 108.7694 2.459599  118.6104       3.783412  118.1530       7.566823  119.0679       7.566823  108.5591 3.485117  108.9797 3.471667  -0.4205704     4.919199  
1 1 1 31 25 5  o 85.39830 3.086695  73.80511       3.683347  86.84692       7.366693  60.76330       7.366693  93.03417 3.959133  77.76242 4.736667  15.27175       6.173390  
1 1 1 31 25 6  o 44.35762 6.136392  21.11372       3.735762  29.86703       7.471523  12.36041       7.471523  54.31249 6.878273  34.40276 10.16418  19.90974       12.27278  
1 1 1 31 25 7  o 244.8145 2.000019  601.1193       6.918783  629.1613       13.83757  573.0773       13.83757  250.5417 2.761529  239.0873 2.893831  11.45439       4.000038  
1 1 1 31 25 8  o 48.47324 6.062248  25.21639       3.935891  34.25083       7.871783  16.18195       7.871783  58.08735 6.775815  38.85913 10.05444  19.22822       12.12450  
1 1 1 31 25 9  o 114.5000 2.904444  132.2431       4.683997  145.8948       9.367994  118.5914       9.367994  120.4614 3.888380  108.5385 4.315516  11.92290       5.808887  
1 1 1 31 25 10 o 248.6201 2.146803  620.2984       7.547763  612.5982       15.09553  627.9987       15.09553  247.0715 3.054890  250.1687 3.017069  -3.097198      4.293607  
1 1 1 31 25 11 o 42.84458 7.682405  20.15119       4.907952  11.48365       9.815904  28.81873       9.815904  33.98111 11.79549  51.70805 9.846000  -17.72695      15.36481  
1 1 1 31 25 12 o 93.40575 3.676793  88.48132       4.850772  83.42565       9.701544  93.53699       9.701544  90.69946 5.348182  96.11205 5.046998  -5.412590      7.353587  
1 1 1 31 25 13 o 198.8194 2.542031  398.1255       7.147503  397.5345       14.29501  398.7163       14.29501  198.6708 3.597661  198.9680 3.592287  -0.2971802     5.084063  
1 1 1 31 25 14 o 122.6133 3.654621  153.1281       6.327922  162.5056       12.65584  143.7506       12.65584  126.4373 5.004791  118.7893 5.327016  7.648041       7.309243  
1 1 1 31 25 15 o 82.89021 5.664894  72.29938       6.632883  68.46355       13.26577  76.13520       13.26577  80.57641 8.231792  85.20401 7.784707  -4.627602      11.32979  
1 1 1 31 25 16 o 65.33801 8.051289  51.52397       6.914018  26.12174       13.82804  76.92619       13.82804  45.86111 13.88667  84.81490 8.151891  -38.95379      16.10258  
1 1 1 31 25 17 f 30.05844 13.36112  4.622052       16.20101  4.622052       16.20101  ?              ?         30.05844 13.36112  ?        ?         ?              ?         
1 1 1 31 26 0  o 23.92065 13.39589  8.052853       9.501413  8.052853       9.501413  8.052853       9.501413  23.92065 13.39589  23.92065 13.39589  0.000000       0.000000  
1 1 1 31 26 1  o 160.7577 1.821725  258.8254       4.140787  264.7912       8.281574  252.8596       8.281574  162.6132 2.546402  158.9022 2.605871  3.711014       3.643450  
1 1 1 31 26 2  o 140.8577 1.983003  198.7387       3.950187  199.2914       7.900373  198.1860       7.900373  141.0539 2.800480  140.6615 2.808293  0.3924103      3.966006  
1 1 1 31 26 3  o 180.5871 1.871947  326.6647       4.779297  317.4063       9.558595  335.9231       9.558595  178.0237 2.684641  183.1505 2.609492  -5.126831      3.743894  
1 1 1 31 26 4  o 142.4889 2.106923  203.4370       4.245616  204.4186       8.491233  202.4554       8.491233  142.8333 2.972428  142.1444 2.986833  0.6888885      4.213846  
1 1 1 31 26 5  o 113.4032 2.588554  129.0887       4.150317  132.5242       8.300633  125.6531       8.300633  114.9179 3.611548  111.8884 3.709335  3.029510       5.177108  
1 1 1 31 26 6  o 55.08054 4.966705  30.86292       3.854887  33.84104       7.709774  27.88479       7.709774  57.78396 6.671205  52.37711 7.359869  5.406853       9.933411  
1 1 1 31 26 7  o 106.2062 2.962497  114.2790       4.398098  134.1443       8.796194  94.41375       8.796194  115.5584 3.805951  96.85399 4.540956  18.70444       5.924993  
1 1 1 31 26 8  o 256.1618 2.098840  658.9522       7.590649  702.8759       15.18130  615.0284       15.18130  264.7352 2.867261  247.5883 3.065835  17.14685       4.197681  
1 1 1 31 26 9  o 67.00149 4.856858  45.95368       4.560107  52.96776       9.120214  38.93959       9.120214  72.23576 6.312810  61.76722 7.382730  10.46855       9.713716  
1 1 1 31 26 10 o 154.8270 2.649693  241.2378       5.799007  249.7147       11.59801  232.7608       11.59801  157.5646 3.680400  152.0895 3.812892  5.475113       5.299387  
1 1 1 31 26 11 o 77.18893 4.788649  61.05396       5.208147  55.15014       10.41630  66.95781       10.41630  73.36465 7.098987  81.01320 6.428764  -7.648544      9.577297  
1 1 1 31 26 12 o 78.31010 4.651886  62.75031       5.146202  66.06199       10.29240  59.43864       10.29240  80.42457 6.398793  76.19565 6.753932  4.228920       9.303771  
1 1 1 31 26 13 o 36.20252 8.583334  12.47001       5.698943  22.10961       11.39789  2.830411       11.39789  44.17496 12.39798  28.23009 11.87369  15.94487       17.16667  
1 1 1 31 26 14 o 25.09906 7.951736  -5.284387      6.075377  3.163961       12.15075  -13.73274      12.15075  28.86006 12.20482  21.33805 10.19621  7.522011       15.90347  
1 1 1 31 26 15 o 30.49746 8.994002  5.389217       6.451812  4.965132       12.90362  5.813303       12.90362  30.23875 12.67211  30.75617 12.76660  -0.5174160     17.98800  
1 1 1 31 26 16 o 38.42509 14.50363  16.58221       15.21942  16.58221       15.21942  ?              ?         38.42509 14.50363  ?        ?         ?              ?         
1 1 1 31 27 0  o 82.45480 5.938956  69.29265       9.692014  69.29265       9.692014  69.29265       9.692014  82.45480 5.938956  82.45480 5.938956  0.000000       0.000000  
1 1 1 31 27 1  o 79.67135 3.134166  63.75097       3.530867  64.94698       7.061733  62.55495       7.061733  80.42194 4.390427  78.92075 4.473939  1.501190       6.268331  
1 1 1 31 27 2  o 155.4669 1.932148  242.2003       4.245616  251.7160       8.491233  232.6846       8.491233  158.5272 2.678163  152.4065 2.785719  6.120728       3.864296  
1 1 1 31 27 3  o 199.7074 1.936539  399.9933       5.460692  425.9054       10.92138  374.0812       10.92138  206.1949 2.648316  193.2199 2.826155  12.97502       3.873077  
1 1 1 31 27 4  o 94.74409 2.849653  91.09255       3.759587  109.3091       7.519173  72.87594       7.519173  104.3577 3.602597  85.13051 4.416262  19.22717       5.699305  
1 1 1 31 27 5  o 180.5504 2.062681  326.8839       5.265327  335.7420       10.53065  318.0258       10.53065  183.0035 2.877173  178.0973 2.956433  4.906189       4.125363  
1 1 1 31 27 6  o 28.37572 7.348866  5.980077       4.064547  1.038770       8.129093  10.92138       8.129093  23.82338 10.02423  32.92807 10.74887  -9.104689      14.69773  
1 1 1 31 27 7  o 78.65917 3.936363  62.85037       4.345681  54.04465       8.691362  71.65611       8.691362  73.06178 5.947955  84.25657 5.157677  -11.19479      7.872725  
1 1 1 31 27 8  o 28.59124 7.683560  5.784712       4.421922  1.925061       8.843843  9.644363       8.843843  25.29591 10.53889  31.88658 11.18393  -6.590673      15.36712  
1 1 1 31 27 9  o 125.6164 2.880754  158.8223       5.117613  158.6364       10.23522  159.0081       10.23522  125.5424 4.076400  125.6904 4.071602  -0.1479340     5.761509  
1 1 1 31 27 10 o 58.30215 5.959407  35.20860       4.912717  34.45097       9.825435  35.96623       9.825435  57.65240 8.521270  58.95191 8.333432  -1.299503      11.91881  
1 1 1 31 27 11 f 90.80424 4.272231  84.14517       5.465457  92.44103       10.93091  75.84930       10.93091  95.37224 5.730659  86.23624 6.337773  9.136002       8.544461  
1 1 1 31 27 12 o 110.8390 3.798964  126.4870       5.827598  97.03451       11.65520  155.9395       11.65520  97.55288 5.973783  124.1252 4.694936  -26.57230      7.597928  
1 1 1 31 27 13 o 28.22013 8.257287  -0.4145553     5.989607  -12.24605      11.97921  11.41694       11.97921  21.75820 10.29374  34.68206 12.91395  -12.92386      16.51457  
1 1 1 31 27 14 o 89.09087 5.371809  83.76397       6.647178  66.37647       13.29436  101.1515       13.29436  79.33258 8.378875  98.84917 6.724567  -19.51659      10.74362  
1 1 1 31 27 15 f 83.75676 5.927918  76.63077       6.709123  101.0085       13.41825  52.25301       13.41825  98.30947 6.824493  69.20406 9.694696  29.10542       11.85584  
1 1 1 31 27 16 o 76.42052 8.494061  73.26667       8.148153  111.7012       16.29631  34.83216       16.29631  101.7048 8.011574  51.13625 14.98035  50.56853       16.98812  
1 1 1 31 28 0  o 19.36519 12.36360  1.686811       10.31146  1.686811       10.31146  1.686811       10.31146  19.36519 12.36360  19.36519 12.36360  0.000000       0.000000  
1 1 1 31 28 1  o 95.26072 2.783333  91.20215       3.745291  96.27210       7.490582  86.13218       7.490582  97.92182 3.824777  92.59962 4.044608  5.322205       5.566666  
1 1 1 31 28 2  f 54.72435 5.038445  32.34483       3.487981  46.35394       6.975962  18.33573       6.975962  67.82474 5.142639  41.62397 8.665851  26.20077       10.07689  
1 1 1 31 28 3  o 48.94181 5.819158  25.95973       3.740526  14.93352       7.481052  36.98595       7.481052  37.41743 9.858092  60.46619 6.186145  -23.04877      11.63832  
1 1 1 31 28 4  o 25.20455 7.069525  3.187786       3.850122  6.385102       7.700243  -0.9530004E-02 7.700243  27.92545 10.36255  22.48365 9.619264  5.441795       14.13905  
1 1 1 31 28 5  o 153.8228 2.289612  237.5973       4.974662  251.1442       9.949325  224.0504       9.949325  158.2262 3.144020  149.4193 3.329330  8.806839       4.579225  
1 1 1 31 28 6  o 102.1904 3.218351  105.4066       4.636347  115.0271       9.272694  95.78607       9.272694  106.8976 4.337185  97.48328 4.756043  9.414322       6.436701  
1 1 1 31 28 7  o 74.46277 4.406364  56.27468       4.636347  53.67299       9.272694  58.87636       9.272694  72.71580 6.375983  76.20975 6.083667  -3.493950      8.812728  
1 1 1 31 28 8  o 138.9873 2.749586  194.3073       5.403512  198.6243       10.80702  189.9902       10.80702  140.5404 3.844812  137.4343 3.931707  3.106094       5.499173  
1 1 1 31 28 9  o 30.11810 8.101872  6.947374       4.869832  10.26381       9.739664  3.630931       9.739664  32.85038 11.71498  27.38583 11.19466  5.464554       16.20374  
1 1 1 31 28 10 o 102.0328 3.890354  105.8116       5.598877  114.5316       11.19775  97.09167       11.19775  106.3059 5.266761  97.75967 5.727185  8.546227       7.780708  
1 1 1 31 28 11 o 28.14796 8.163258  1.176955       5.613173  10.12086       11.22635  -7.766953      11.22635  33.56135 12.50058  22.73458 10.50193  10.82677       16.32652  
1 1 1 31 28 12 o 37.25378 8.942263  14.40936       5.784712  19.50792       11.56942  9.310814       11.56942  41.66067 12.71950  32.84690 12.57261  8.813766       17.88453  
1 1 1 31 28 13 o 75.14484 5.565230  59.19562       5.889543  53.23460       11.77909  65.15664       11.77909  71.17849 8.274328  79.11120 7.444638  -7.932709      11.13046  
1 1 1 31 28 14 o 65.56190 7.624087  48.03122       6.866368  42.39899       13.73274  53.66345       13.73274  60.78992 11.71323  70.33389 9.762532  -9.543968      15.24817  
1 1 1 31 28 15 f 28.34757 12.59561  -0.3144901     14.38078  -0.3144901     14.38078  ?              ?         28.34757 12.59561  ?        ?         ?              ?         
1 1 1 31 29 0  o 40.33786 14.24204  21.79512       10.41630  21.79512       10.41630  21.79512       10.41630  40.33786 14.24204  40.33786 14.24204  0.000000       0.000000  
1 1 1 31 29 1  o 74.84576 3.566218  56.45575       3.773881  57.85665       7.547763  55.05483       7.547763  75.78163 4.979942  73.90990 5.106057  1.871727       7.132436  
1 1 1 31 29 2  o 49.18341 5.333842  25.27357       3.540397  31.04875       7.080793  19.49839       7.080793  55.38478 6.392364  42.98203 8.540326  12.40275       10.66768  
1 1 1 31 29 3  o 83.49803 3.483731  70.73169       4.069312  58.87636       8.138623  82.58701       8.138623  76.39887 5.326403  90.59720 4.491653  -14.19833      6.967461  
1 1 1 31 29 4  o 129.7655 2.381399  169.0575       4.369507  172.6455       8.739014  165.4695       8.739014  131.1480 3.331737  128.3830 3.403494  2.765030       4.762798  
1 1 1 31 29 5  o 95.51876 3.291204  91.93594       4.445747  92.77458       8.891494  91.09731       8.891494  95.95776 4.633025  95.07977 4.675807  0.8779907      6.582408  
1 1 1 31 29 6  o 129.3832 2.885849  169.5435       5.227207  142.0542       10.45441  197.0328       10.45441  118.7599 4.401490  140.0064 3.733549  -21.24643      5.771698  
1 1 1 31 29 7  o 110.1888 3.417313  122.8799       5.298682  136.8890       10.59736  108.8708       10.59736  116.5457 4.546443  103.8319 5.103133  12.71372       6.834625  
1 1 1 31 29 8  o 177.6454 2.445849  317.3586       6.142087  306.7899       12.28417  327.9275       12.28417  174.6708 3.516380  180.6201 3.400555  -5.949371      4.891697  
1 1 1 31 29 9  f 64.04182 5.909247  42.53717       5.327272  37.98660       10.65454  47.08775       10.65454  60.48901 8.807009  67.59464 7.881206  -7.105637      11.81849  
1 1 1 31 29 10 o 100.4481 4.020824  102.5953       5.708472  106.5645       11.41694  98.62601       11.41694  102.4239 5.573379  98.47237 5.797029  3.951538       8.041648  
1 1 1 31 29 11 o 85.62138 4.527346  75.23461       5.455927  83.50190       10.91185  66.96734       10.91185  90.44919 6.032035  80.79356 6.752923  9.655624       9.054691  
1 1 1 31 29 12 o 36.28779 8.125100  9.491883       6.013433  -8.920084      12.02687  27.90385       12.02687  23.04267 10.73036  49.53291 12.20363  -26.49023      16.25020  
1 1 1 31 29 13 o 111.6833 4.221546  128.2119       6.666237  125.2147       13.33247  131.2091       13.33247  110.3415 6.041460  113.0251 5.898013  -2.683640      8.443091  
1 1 1 31 29 14 o 59.26018 8.557387  40.90754       7.042673  31.25841       14.08535  50.55667       14.08535  50.74431 13.59929  67.77605 10.39109  -17.03175      17.11477  
1 1 1 31 29 15 o 80.20610 7.603447  74.19584       8.048088  52.92011       16.09618  95.47158       16.09618  66.48628 12.56303  93.92593 8.568548  -27.43964      15.20689  
1 1 1 31 30 0  o 29.07095 14.87743  12.93222       10.83561  12.93222       10.83561  12.93222       10.83561  29.07095 14.87743  29.07095 14.87743  0.000000       0.000000  
1 1 1 31 30 1  o 173.8451 2.059606  303.2018       5.060432  315.5956       10.12086  290.8080       10.12086  177.4097 2.852399  170.2805 2.971822  7.129196       4.119212  
1 1 1 31 30 2  o 126.4516 2.451544  160.7998       4.374272  148.4393       8.748544  173.1602       8.748544  121.5642 3.598322  131.3390 3.330519  -9.774811      4.903089  
1 1 1 31 30 3  o 67.58510 4.383102  46.60172       4.145552  54.24479       8.291104  38.95866       8.291104  73.23950 5.660268  61.93069 6.693857  11.30881       8.766205  
1 1 1 31 30 4  o 68.39059 4.520885  47.47371       4.369507  45.45812       8.739014  49.48931       8.739014  66.91700 6.529741  69.86418 6.254287  -2.947182      9.041771  
1 1 1 31 30 5  o 110.0108 3.169950  122.3224       4.907952  136.0694       9.815904  108.5753       9.815904  116.2589 4.221573  103.7628 4.729974  12.49607       6.339900  
1 1 1 31 30 6  o 122.4358 2.798728  150.7932       4.846007  150.8314       9.692014  150.7551       9.692014  122.4513 3.957496  122.4202 3.958503  0.3113556E-01  5.597457  
1 1 1 31 30 7  o 188.5162 2.394475  357.8183       6.366043  327.2603       12.73209  388.3763       12.73209  180.4114 3.528626  196.6211 3.237721  -16.20972      4.788950  
1 1 1 31 30 8  o 127.8453 2.931265  164.8691       5.298682  161.0952       10.59736  168.6429       10.59736  126.3693 4.193013  129.3212 4.097302  -2.951912      5.862529  
1 1 1 31 30 9  o 50.07563 7.605719  27.71325       5.451162  15.07647       10.90232  40.35004       10.90232  37.79986 12.44805  62.35141 8.742645  -24.55154      15.21144  
1 1 1 31 30 10 o 89.85469 4.519995  82.64420       5.727532  75.63964       11.45506  89.64875       11.45506  85.95698 6.663255  93.75240 6.109211  -7.795418      9.039990  
1 1 1 31 30 11 o 172.5767 2.983264  301.4150       7.276158  288.9211       14.55232  313.9088       14.55232  168.9569 4.306518  176.1964 4.129571  -7.239578      5.966528  
1 1 1 31 30 12 o 48.28596 8.779361  27.01280       6.061082  30.32448       12.12216  23.70112       12.12216  51.42485 11.99490  45.14707 12.82307  6.277779       17.55872  
1 1 1 31 30 13 o 126.9753 4.012577  165.8554       7.204682  163.2394       14.40936  168.4714       14.40936  125.9452 5.720490  128.0054 5.628419  -2.060226      8.025154  
1 1 1 31 30 14 o 52.16468 8.744275  32.78798       7.157033  51.57638       14.31407  13.99957       14.31407  67.97739 10.52855  36.35197 13.96421  31.62542       17.48855  
1 1 1 31 30 15 o 29.38390 13.05857  3.935891       15.46720  3.935891       15.46720  ?              ?         29.38390 13.05857  ?        ?         ?              ?         
1 1 1 31 31 0  o 149.8365 6.497914  226.6044       19.39356  226.6044       19.39356  226.6044       19.39356  149.8365 6.497914  149.8365 6.497914  0.000000       0.000000  
1 1 1 31 31 1  f 103.9464 5.800085  109.6903       11.97921  109.6903       11.97921  109.6903       11.97921  103.9464 5.800085  103.9464 5.800085  0.000000       0.000000  
1 1 1 31 31 2  o 38.37363 16.21012  21.56640       12.49383  21.56640       12.49383  21.56640       12.49383  38.37363 16.21012  38.37363 16.21012  0.000000       0.000000  
1 1 1 31 31 3  o 58.86383 11.90722  39.27314       12.42712  39.27314       12.42712  39.27314       12.42712  58.86383 11.90722  58.86383 11.90722  0.000000       0.000000  
1 1 1 31 31 4  o 14.03502 10.13439  -18.59304      12.85597  -18.59304      12.85597  -18.59304      12.85597  14.03502 10.13439  14.03502 10.13439  0.000000       0.000000  
1 1 1 31 31 5  o 74.46629 9.837264  59.28615       14.24736  59.28615       14.24736  59.28615       14.24736  74.46629 9.837264  74.46629 9.837264  0.000000       0.000000  
1 1 1 31 31 6  o 108.1366 6.747596  119.4681       14.47608  119.4681       14.47608  119.4681       14.47608  108.1366 6.747596  108.1366 6.747596  0.000000       0.000000  
1 1 1 31 31 7  o 24.77422 14.93777  7.442933       13.17047  7.442933       13.17047  7.442933       13.17047  24.77422 14.93777  24.77422 14.93777  0.000000       0.000000  
1 1 1 31 31 8  o 115.8536 6.974524  137.2511       16.03900  137.2511       16.03900  137.2511       16.03900  115.8536 6.974524  115.8536 6.974524  0.000000       0.000000  
1 1 1 31 31 9  o 122.0146 7.254618  152.4801       17.57333  152.4801       17.57333  152.4801       17.57333  122.0146 7.254618  122.0146 7.254618  0.000000       0.000000  
1 1 1 31 31 10 o 20.38556 14.00443  -7.814603      17.54474  -7.814603      17.54474  -7.814603      17.54474  20.38556 14.00443  20.38556 14.00443  0.000000       0.000000  
1 1 1 31 31 11 o 82.70943 11.92661  73.96236       19.06954  73.96236       19.06954  73.96236       19.06954  82.70943 11.92661  82.70943 11.92661  0.000000       0.000000  
1 1 1 31 31 12 o 68.81072 15.93073  57.84712       19.05048  57.84712       19.05048  57.84712       19.05048  68.81072 15.93073  68.81072 15.93073  0.000000       0.000000  
1 1 1 31 31 13 o 29.90972 18.04613  13.58025       19.25061  13.58025       19.25061  13.58025       19.25061  29.90972 18.04613  29.90972 18.04613  0.000000       0.000000  
1 1 1 32 0  0  o 253.9255 4.572677  645.6578       23.20556  645.6578       23.20556  645.6578       23.20556  253.9255 4.572677  253.9255 4.572677  0.000000       0.000000  
1 1 1 32 0  1  o 44.29923 4.844914  20.33703       4.202732  20.33703       4.202732  20.33703       4.202732  44.29923 4.844914  44.29923 4.844914  0.000000       0.000000  
1 1 1 32 0  2  o 265.2556 3.344258  704.2388       17.73534  704.2388       17.73534  704.2388       17.73534  265.2556 3.344258  265.2556 3.344258  0.000000       0.000000  
1 1 1 32 0  3  o 168.5463 2.641980  284.3658       8.901024  284.3658       8.901024  284.3658       8.901024  168.5463 2.641980  168.5463 2.641980  0.000000       0.000000  
1 1 1 32 0  4  o 396.6347 4.769736  1575.310       37.82458  1575.310       37.82458  1575.310       37.82458  396.6347 4.769736  396.6347 4.769736  0.000000       0.000000  
1 1 1 32 0  5  o 504.1699 6.453747  2547.322       65.05180  2547.322       65.05180  2547.322       65.05180  504.1699 6.453747  504.1699 6.453747  0.000000       0.000000  
1 1 1 32 0  6  o 166.5934 3.286429  277.9807       10.94044  277.9807       10.94044  277.9807       10.94044  166.5934 3.286429  166.5934 3.286429  0.000000       0.000000  
1 1 1 32 0  7  o 109.3562 4.178878  120.2115       9.110683  120.2115       9.110683  120.2115       9.110683  109.3562 4.178878  109.3562 4.178878  0.000000       0.000000  
1 1 1 32 0  8  o 343.1148 4.992140  1179.386       34.24130  1179.386       34.24130  1179.386       34.24130  343.1148 4.992140  343.1148 4.992140  0.000000       0.000000  
1 1 1 32 0  9  o 279.5494 4.815079  783.2233       26.90320  783.2233       26.90320  783.2233       26.90320  279.5494 4.815079  279.5494 4.815079  0.000000       0.000000  
1 1 1 32 0  10 o 54.93001 10.74078  33.49796       10.53065  33.49796       10.53065  33.49796       10.53065  54.93001 10.74078  54.93001 10.74078  0.000000       0.000000  
1 1 1 32 0  11 o 224.8264 4.403672  506.8437       19.78429  506.8437       19.78429  506.8437       19.78429  224.8264 4.403672  224.8264 4.403672  0.000000       0.000000  
1 1 1 32 0  12 o 76.27039 10.31426  61.92596       15.28613  61.92596       15.28613  61.92596       15.28613  76.27039 10.31426  76.27039 10.31426  0.000000       0.000000  
1 1 1 32 0  13 o 100.8644 7.173386  103.9819       14.32360  103.9819       14.32360  103.9819       14.32360  100.8644 7.173386  100.8644 7.173386  0.000000       0.000000  
1 1 1 32 0  14 o 81.69490 3.260066  67.17700       5.308212  67.17700       5.308212  67.17700       5.308212  81.69490 3.260066  81.69490 3.260066  0.000000       0.000000  
1 1 1 32 0  15 o 25.20569 14.01990  9.282224       10.31146  9.282224       10.31146  9.282224       10.31146  25.20569 14.01990  25.20569 14.01990  0.000000       0.000000  
1 1 1 32 0  16 o 148.1236 5.008411  221.5345       14.80010  221.5345       14.80010  221.5345       14.80010  148.1236 5.008411  148.1236 5.008411  0.000000       0.000000  
1 1 1 32 0  17 o 50.46881 15.12272  32.61168       13.27530  32.61168       13.27530  32.61168       13.27530  50.46881 15.12272  50.46881 15.12272  0.000000       0.000000  
1 1 1 32 0  18 o 155.2163 6.340794  245.2928       19.61275  245.2928       19.61275  245.2928       19.61275  155.2163 6.340794  155.2163 6.340794  0.000000       0.000000  
1 1 1 32 0  19 f 45.19226 19.59798  32.78321       18.16419  32.78321       18.16419  32.78321       18.16419  45.19226 19.59798  45.19226 19.59798  0.000000       0.000000  
1 1 1 32 1  0  o 225.7392 3.174003  510.0744       14.32360  510.0744       14.32360  510.0744       14.32360  225.7392 3.174003  225.7392 3.174003  0.000000       0.000000  
1 1 1 32 1  1  o 272.3279 1.737095  741.9584       6.690063  740.8339       13.38013  743.0830       13.38013  272.1214 2.458484  272.5343 2.454760  -0.4129333     3.474189  
1 1 1 32 1  2  o 78.02228 1.624219  60.91103       1.791641  59.20991       3.583282  62.61212       3.583282  76.93214 2.328859  79.11242 2.264677  -2.180283      3.248437  
1 1 1 32 1  3  o 125.4370 1.316795  157.4357       2.334851  162.9440       4.669702  151.9273       4.669702  127.6327 1.829352  123.2414 1.894535  4.391327       2.633589  
1 1 1 32 1  4  o 81.05931 2.310307  65.90474       2.639811  59.78172       5.279623  72.02776       5.279623  77.28243 3.415797  84.83620 3.111657  -7.553764      4.620615  
1 1 1 32 1  5  o 141.0853 1.716687  199.2962       3.421271  210.3272       6.842543  188.2652       6.842543  144.9946 2.359586  137.1759 2.494076  7.818665       3.433375  
1 1 1 32 1  6  o 125.6612 1.895879  159.3560       3.325971  130.0750       6.651943  188.6369       6.651943  114.0104 2.917253  137.3119 2.422202  -23.30151      3.791757  
1 1 1 32 1  7  o 69.45527 3.106860  48.50295       3.035306  42.72301       6.070612  54.28290       6.070612  65.29436 4.648651  73.61618 4.123151  -8.321823      6.213721  
1 1 1 32 1  8  o 115.2391 2.193140  133.0484       3.568987  141.3490       7.137973  124.7477       7.137973  118.8406 3.003171  111.6376 3.196938  7.202972       4.386280  
1 1 1 32 1  9  o 251.1448 2.142457  634.0264       7.562057  715.3793       15.12411  552.6735       15.12411  267.3412 2.828617  234.9484 3.218604  32.39282       4.284914  
1 1 1 32 1  10 f 152.8705 2.171701  234.0235       4.693527  227.1857       9.387053  240.8613       9.387053  150.6340 3.115848  155.1070 3.025994  -4.472916      4.343403  
1 1 1 32 1  11 o 80.23381 3.614994  65.33294       4.035956  51.96711       8.071913  78.69877       8.071913  71.90451 5.612939  88.56311 4.557153  -16.65860      7.229988  
1 1 1 32 1  12 f 156.8080 3.029561  246.9463       6.713887  257.3006       13.42777  236.5919       13.42777  160.1096 4.193307  153.5064 4.373686  6.603195       6.059121  
1 1 1 32 1  13 o 36.61496 7.701495  13.39919       4.631582  5.708472       9.263164  21.08990       9.263164  28.85210 11.20140  44.37781 10.57265  -15.52571      15.40299  
1 1 1 32 1  14 o 38.90437 7.959569  16.15335       4.631582  15.20036       9.263164  17.10636       9.263164  37.88631 11.34450  39.92244 11.16787  -2.036133      15.91914  
1 1 1 32 1  15 o 97.83954 3.100252  96.43888       4.288502  93.83241       8.577003  99.04533       8.577003  96.50753 4.443696  99.17155 4.324327  -2.664017      6.200503  
1 1 1 32 1  16 o 47.70088 6.200437  24.06803       4.083606  26.54106       8.167212  21.59499       8.167212  50.69774 8.054810  44.70403 9.428770  5.993710       12.40087  
1 1 1 32 1  17 o 99.42468 3.748159  100.4844       5.255797  108.9279       10.51159  92.04078       10.51159  103.6709 5.069694  95.17847 5.522045  8.492439       7.496317  
1 1 1 32 1  18 o 79.97125 5.158223  66.20494       5.832363  67.82504       11.66473  64.58484       11.66473  80.98418 7.201854  78.95833 7.386633  2.025856       10.31645  
1 1 1 32 1  19 o 51.59832 8.228023  30.82956       6.866368  7.547763       13.73274  54.11136       13.73274  32.47424 13.28678  70.72240 9.708902  -38.24816      16.45605  
1 1 1 32 1  20 o 53.63541 14.47366  36.37603       15.88652  36.37603       15.88652  ?              ?         53.63541 14.47366  ?        ?         ?              ?         
1 1 1 32 2  0  o 72.18128 3.583569  52.51032       5.146202  52.51032       5.146202  52.51032       5.146202  72.18128 3.583569  72.18128 3.583569  0.000000       0.000000  
1 1 1 32 2  1  o 256.1793 1.653593  656.6364       5.989607  641.2740       11.97921  671.9987       11.97921  253.1809 2.365742  259.1776 2.311005  -5.996719      3.307186  
1 1 1 32 2  2  f 183.8187 1.388326  338.7106       3.597576  369.8785       7.195153  307.5428       7.195153  192.2966 1.870848  175.3408 2.051762  16.95578       2.776653  
1 1 1 32 2  3  o 92.86128 1.437766  87.61409       1.844056  65.99528       3.688112  109.2329       3.688112  81.22091 2.270420  104.5017 1.764619  -23.28075      2.875532  
1 1 1 32 2  4  o 23.36471 5.478668  4.431452       2.334851  0.3430801      4.669702  8.519823       4.669702  18.05385 7.597111  28.67557 7.896019  -10.62172      10.95734  
1 1 1 32 2  5  o 77.46124 2.536150  60.06762       2.777996  61.03968       5.555993  59.09555       5.555993  78.08869 3.557488  76.83379 3.615592  1.254898       5.072300  
1 1 1 32 2  6  o 91.12215 2.221801  83.54955       2.839941  95.77654       5.679882  71.32255       5.679882  97.83128 2.902897  84.41302 3.364340  13.41825       4.443602  
1 1 1 32 2  7  o 113.9201 2.241491  130.0035       3.607106  122.8608       7.214212  137.1463       7.214212  110.7851 3.255948  117.0551 3.081546  -6.269951      4.482982  
1 1 1 32 2  8  o 247.8833 2.011708  614.9235       7.052203  612.5696       14.10441  617.2775       14.10441  247.4085 2.850428  248.3582 2.839530  -0.9496155     4.023415  
1 1 1 32 2  9  o 33.10616 6.244794  10.39247       3.521337  0.6099203      7.042673  20.17502       7.042673  22.18111 9.331647  44.03121 8.301214  -21.85011      12.48959  
1 1 1 32 2  10 o 185.5308 2.182599  346.3204       5.684648  394.5612       11.36929  298.0795       11.36929  198.5316 2.863347  172.5300 3.294874  26.00154       4.365197  
1 1 1 32 2  11 o 56.88426 5.256131  34.48908       3.835827  48.23135       7.671653  20.74682       7.671653  69.27563 5.537050  44.49289 8.935812  24.78275       10.51226  
1 1 1 32 2  12 f 86.28459 3.440224  75.04401       4.178907  83.23506       8.357814  66.85297       8.357814  91.03112 4.590635  81.53806 5.125099  9.493057       6.880449  
1 1 1 32 2  13 o 49.33269 7.253182  26.32187       5.041372  14.24736       10.08274  38.39639       10.08274  37.28026 11.95769  61.38511 8.212695  -24.10485      14.50636  
1 1 1 32 2  14 f 37.11469 8.149598  13.27530       5.212912  3.964482       10.42582  22.58611       10.42582  28.58209 11.61610  45.64729 11.43372  -17.06519      16.29920  
1 1 1 32 2  15 o 105.8820 2.872653  112.9496       4.293266  104.9349       8.586533  120.9643       8.586533  102.0973 4.205074  109.6668 3.914829  -7.569496      5.745306  
1 1 1 32 2  16 f 56.89510 5.248958  33.27401       4.221792  34.30801       8.443583  32.24000       8.443583  57.80380 7.303658  55.98641 7.540744  1.817390       10.49792  
1 1 1 32 2  17 o 91.09639 4.003818  84.50731       5.146202  77.99355       10.29240  91.02106       10.29240  87.52119 5.879950  94.67159 5.435846  -7.150406      8.007636  
1 1 1 32 2  18 o 110.0498 4.050937  124.7096       6.223093  147.2576       12.44619  102.1616       12.44619  120.2942 5.173226  99.80534 6.235230  20.48889       8.101873  
1 1 1 32 2  19 o 65.12436 7.586985  48.60779       6.504228  66.37647       13.00846  30.83909       13.00846  79.16528 8.216011  51.08344 12.75721  28.08184       15.17397  
1 1 1 32 2  20 o 43.05271 13.59762  22.76718       13.07517  22.76718       13.07517  ?              ?         43.05271 13.59762  ?        ?         ?              ?         
1 1 1 32 3  0  o 159.6836 2.672378  255.2707       8.529353  255.2707       8.529353  255.2707       8.529353  159.6836 2.672378  159.6836 2.672378  0.000000       0.000000  
1 1 1 32 3  1  o 344.5601 2.001664  1188.301       9.749195  1146.450       19.49839  1230.152       19.49839  338.4869 2.880228  350.6332 2.780454  -12.14624      4.003328  
1 1 1 32 3  2  o 393.7945 2.223745  1551.923       12.38424  1550.103       24.76848  1553.743       24.76848  393.5634 3.146695  394.0256 3.143004  -0.4622192     4.447490  
1 1 1 32 3  3  o 168.7577 1.329877  284.8947       3.173491  290.0171       6.346982  279.7723       6.346982  170.2753 1.863741  167.2400 1.897567  3.035370       2.659754  
1 1 1 32 3  4  o 164.2137 1.733587  270.4091       4.012132  244.5780       8.024263  296.2402       8.024263  156.3486 2.566144  172.0788 2.331566  -15.73015      3.467174  
1 1 1 32 3  5  o 216.6389 1.744807  470.0675       5.336802  501.2210       10.67360  438.9138       10.67360  223.8292 2.384319  209.4487 2.548023  14.38042       3.489613  
1 1 1 32 3  6  o 86.40253 2.205737  74.85818       2.687461  81.40529       5.374923  68.31107       5.374923  90.19126 2.979736  82.61381 3.253041  7.577454       4.411474  
1 1 1 32 3  7  o 273.1045 2.058329  748.3864       7.919433  823.7734       15.83887  672.9993       15.83887  286.9063 2.760285  259.3026 3.054128  27.60376       4.116658  
1 1 1 32 3  8  o 116.1966 2.173601  135.4452       3.559456  122.4701       7.118913  148.4203       7.118913  110.6134 3.217926  121.7799 2.922861  -11.16651      4.347202  
1 1 1 32 3  9  o 145.6112 2.106183  212.2856       4.336152  217.5795       8.672303  206.9917       8.672303  147.4291 2.941178  143.7934 3.015543  3.635666       4.212366  
1 1 1 32 3  10 o 172.3654 2.068340  297.4457       5.041372  292.8951       10.08274  301.9963       10.08274  171.0453 2.947390  173.6854 2.902589  -2.640060      4.136681  
1 1 1 32 3  11 o 21.70638 6.790648  -4.564871      4.317091  -10.89279      8.634183  1.763051       8.634183  18.19861 8.670759  25.21415 10.45321  -7.015545      13.58130  
1 1 1 32 3  12 o 129.4144 2.609522  167.9949       4.774532  163.3062       9.549064  172.6837       9.549064  127.6028 3.741713  131.2259 3.638406  -3.623062      5.219043  
1 1 1 32 3  13 o 116.3040 3.278488  136.2314       5.384452  127.7402       10.76890  144.7226       10.76890  112.6536 4.779654  119.9545 4.488746  -7.300880      6.556976  
1 1 1 32 3  14 o 141.0754 1.926226  199.7775       3.835827  185.7017       7.671653  213.8533       7.671653  136.0867 2.818664  146.0642 2.626124  -9.977509      3.852453  
1 1 1 32 3  15 o 71.86978 3.688080  52.81052       3.678581  41.24585       7.357163  64.37517       7.357163  63.82422 5.763614  79.91535 4.603097  -16.09113      7.376161  
1 1 1 32 3  16 o 126.3777 3.006530  162.5152       5.303447  192.3536       10.60689  132.6767       10.60689  138.1830 3.837989  114.5725 4.628902  23.61053       6.013061  
1 1 1 32 3  17 o 33.44264 8.908974  7.786013       6.189737  -1.343731      12.37947  16.91576       12.37947  27.09377 11.89668  39.79152 13.26455  -12.69775      17.81795  
1 1 1 32 3  18 o 73.55484 5.344676  56.18891       5.551227  59.62923       11.10245  52.74857       11.10245  75.89346 7.314500  71.21622 7.794892  4.677238       10.68935  
1 1 1 32 3  19 o 57.99225 7.876368  38.73946       6.237388  25.51182       12.47478  51.96711       12.47478  46.32824 12.96014  69.65627 8.954524  -23.32803      15.75274  
1 1 1 32 3  20 o 52.87660 8.702197  33.70286       6.837778  19.49839       13.67556  47.90733       13.67556  40.24324 13.92717  65.50996 10.43777  -25.26671      17.40439  
1 1 1 32 4  0  o 270.2291 3.448548  730.9227       18.63116  730.9227       18.63116  730.9227       18.63116  270.2291 3.448548  270.2291 3.448548  0.000000       0.000000  
1 1 1 32 4  1  o 411.6387 2.378665  1695.941       13.84710  1685.810       27.69419  1706.071       27.69419  410.4082 3.373981  412.8691 3.353870  -2.460938      4.757330  
1 1 1 32 4  2  o 111.3501 1.380031  124.0378       2.172841  121.5361       4.345681  126.5394       4.345681  110.2267 1.971247  112.4734 1.931871  -2.246635      2.760062  
1 1 1 32 4  3  o 141.8969 1.319828  201.8455       2.639811  220.7244       5.279623  182.9666       5.279623  148.5492 1.777062  135.2445 1.951881  13.30469       2.639657  
1 1 1 32 4  4  o 162.0137 1.471137  262.6707       3.368856  272.6915       6.737713  252.6499       6.737713  165.1063 2.040417  158.9211 2.119829  6.185150       2.942274  
1 1 1 32 4  5  o 340.6110 2.332568  1161.164       11.23588  1164.195       22.47175  1158.134       22.47175  341.0559 3.294438  340.1662 3.303055  0.8897400      4.665136  
1 1 1 32 4  6  o 195.1833 2.051902  381.3765       5.660822  366.9147       11.32164  395.8383       11.32164  191.4787 2.956372  198.8880 2.846237  -7.409332      4.103803  
1 1 1 32 4  7  o 110.8349 2.078150  123.1419       3.249731  132.8673       6.499463  113.4166       6.499463  115.2222 2.820403  106.4476 3.052893  8.774643       4.156301  
1 1 1 32 4  8  o 230.6317 2.113601  534.0043       6.861602  593.3952       13.72320  474.6133       13.72320  243.5074 2.817821  217.7560 3.151052  25.75143       4.227202  
1 1 1 32 4  9  o 153.8516 1.971790  236.9922       4.288502  229.3014       8.577003  244.6828       8.577003  151.3522 2.833459  156.3510 2.742869  -4.998779      3.943579  
1 1 1 32 4  10 o 173.3007 2.034387  300.7336       4.984192  309.9729       9.968384  291.4942       9.968384  175.9664 2.832468  170.6350 2.920967  5.331390       4.068774  
1 1 1 32 4  11 o 124.2086 2.954095  154.7292       5.189087  154.8626       10.37817  154.5957       10.37817  124.2623 4.175914  124.1549 4.179527  0.1074219      5.908189  
1 1 1 32 4  12 o 64.63374 5.374619  46.46830       4.155082  71.72281       8.310163  21.21379       8.310163  84.47399 4.918770  44.79350 9.557816  39.68049       10.74924  
1 1 1 32 4  13 o 65.87613 4.221634  44.93397       3.783412  31.01063       7.566823  58.85730       7.566823  55.30832 6.840583  76.44395 4.949262  -21.13563      8.443268  
1 1 1 32 4  14 o 66.06302 3.066229  43.93808       2.863766  42.65630       5.727532  45.21987       5.727532  65.09290 4.399506  67.03314 4.272164  -1.940247      6.132458  
1 1 1 32 4  15 o 115.2549 2.239069  133.6726       3.635697  147.0575       7.271393  120.2877       7.271393  121.0616 3.003180  109.4483 3.321841  11.61330       4.478137  
1 1 1 32 4  16 o 33.78907 7.782452  11.35976       4.483867  16.81093       8.967733  5.908603       8.967733  39.22401 10.99349  28.35413 11.01860  10.86988       15.56490  
1 1 1 32 4  17 o 34.19896 7.019805  9.930264       4.536282  23.66300       9.072563  -3.802472      9.072563  46.60004 10.02203  21.79787 9.832073  24.80217       14.03961  
1 1 1 32 4  18 o 45.88628 8.343210  23.86313       5.708472  33.30736       11.41694  14.41890       11.41694  54.86763 10.78848  36.90493 12.72971  17.96270       16.68642  
1 1 1 32 4  19 o 28.03498 8.443542  -1.739226      6.480402  -14.53326      12.96080  11.05480       12.96080  21.84344 10.45987  34.22653 13.25763  -12.38309      16.88708  
1 1 1 32 4  20 o 26.69382 12.27838  -5.689413      15.14318  -5.689413      15.14318  ?              ?         26.69382 12.27838  ?        ?         ?              ?         
1 1 1 32 5  0  o 391.5331 4.448246  1534.740       34.82264  1534.740       34.82264  1534.740       34.82264  391.5331 4.448246  391.5331 4.448246  0.000000       0.000000  
1 1 1 32 5  1  o 38.55247 3.009822  14.98116       1.624866  17.39226       3.249731  12.57007       3.249731  41.67950 3.898477  35.42545 4.586718  6.254051       6.019643  
1 1 1 32 5  2  o 198.3898 1.411817  393.7988       3.959717  405.6827       7.919433  381.9149       7.919433  201.3849 1.966243  195.3947 2.026522  5.990173       2.823633  
1 1 1 32 5  3  o 388.2076 2.261181  1508.390       12.41283  1533.054       24.82566  1483.726       24.82566  391.3842 3.171520  385.0310 3.223852  6.353210       4.522363  
1 1 1 32 5  4  o 156.3425 1.325948  244.8306       2.925711  226.7950       5.851423  262.8661       5.851423  150.5745 1.943032  162.1104 1.804764  -11.53592      2.651896  
1 1 1 32 5  5  o 94.94371 2.305432  92.90800       2.959066  61.73536       5.918132  124.0807       5.918132  78.52733 3.768199  111.3601 2.657205  -32.83277      4.610863  
1 1 1 32 5  6  o 293.0648 2.125190  859.6970       8.805725  837.2299       17.61145  882.1639       17.61145  289.2317 3.044523  296.8979 2.965910  -7.666229      4.250381  
1 1 1 32 5  7  o 155.2016 1.830177  241.0424       4.016897  243.2438       8.033793  238.8410       8.033793  155.9108 2.576407  154.4924 2.600062  1.418427       3.660355  
1 1 1 32 5  8  o 91.87391 2.735404  85.04575       3.521337  71.78951       7.042673  98.30199       7.042673  84.65955 4.159409  99.08827 3.553737  -14.42873      5.470807  
1 1 1 32 5  9  o 129.4133 2.115317  168.1426       3.854887  150.2596       7.709774  186.0257       7.709774  122.5040 3.146743  136.3226 2.827768  -13.81855      4.230634  
1 1 1 32 5  10 o 155.1888 2.279873  241.1949       5.003252  244.6543       10.00650  237.7355       10.00650  156.3034 3.200988  154.0742 3.247300  2.229156       4.559745  
1 1 1 32 5  11 o 28.01018 6.636865  5.484517       3.611871  -2.506391      7.223743  13.47543       7.223743  20.18365 8.952753  35.83672 9.800006  -15.65307      13.27373  
1 1 1 32 5  12 o 77.79488 4.082229  60.96820       4.488632  63.33640       8.977263  58.60000       8.977263  79.31696 5.659108  76.27280 5.884971  3.044159       8.164458  
1 1 1 32 5  13 o 63.09787 4.144866  40.26426       3.692876  42.82784       7.385753  37.70070       7.385753  65.12930 5.670070  61.06645 6.047308  4.062847       8.289731  
1 1 1 32 5  14 o 100.0447 2.274234  100.4796       3.216377  97.17745       6.432753  103.7817       6.432753  98.39431 3.268864  101.6950 3.162767  -3.300690      4.548469  
1 1 1 32 5  15 o 59.76085 4.043573  36.16160       3.416506  37.10983       6.833013  35.21336       6.833013  60.55421 5.642062  58.96749 5.793881  1.586720       8.087146  
1 1 1 32 5  16 f 46.96299 7.156195  23.97272       4.612522  25.27357       9.225043  22.67188       9.225043  48.33352 9.884409  45.59246 10.35099  2.741066       14.31239  
1 1 1 32 5  17 o 76.02528 5.065731  59.44817       5.436867  63.41265       10.87373  55.48369       10.87373  78.63262 6.914264  73.41793 7.405366  5.214691       10.13146  
1 1 1 32 5  18 o 29.75361 8.694399  4.626817       5.946723  4.888892       11.89345  4.364742       11.89345  29.92079 12.32405  29.58644 12.26736  0.3343563      17.38880  
1 1 1 32 5  19 o 86.55053 6.284204  82.45837       7.271393  111.3676       14.54279  53.54909       14.54279  103.2513 7.042421  69.84972 10.41005  33.40161       12.56841  
1 1 1 32 5  20 o 36.22318 13.99332  14.11394       14.41890  14.11394       14.41890  ?              ?         36.22318 13.99332  ?        ?         ?              ?         
1 1 1 32 6  0  o 144.2964 3.342543  208.6404       9.634833  208.6404       9.634833  208.6404       9.634833  144.2964 3.342543  144.2964 3.342543  0.000000       0.000000  
1 1 1 32 6  1  o 80.93799 1.689298  66.05722       1.910766  77.71718       3.821531  54.39726       3.821531  88.14101 2.167851  73.73497 2.591397  14.40604       3.378597  
1 1 1 32 6  2  o 176.8939 1.519903  314.0661       3.783412  278.0378       7.566823  350.0942       7.566823  166.7103 2.269452  187.0775 2.022377  -20.36713      3.039806  
1 1 1 32 6  3  o 302.8373 1.812568  918.0109       7.757423  957.4413       15.51485  878.5806       15.51485  309.3475 2.507673  296.3271 2.617858  13.02032       3.625135  
1 1 1 32 6  4  o 130.1025 1.470138  169.4578       2.701756  178.9544       5.403512  159.9611       5.403512  133.7522 2.019972  126.4528 2.136572  7.299347       2.940277  
1 1 1 32 6  5  o 108.8805 2.043664  119.2775       3.121076  101.7328       6.242152  136.8223       6.242152  100.8236 3.095580  116.9374 2.669015  -16.11375      4.087328  
1 1 1 32 6  6  o 32.42037 5.270376  10.88327       2.496861  15.59109       4.993722  6.175443       4.993722  39.41378 6.334996  25.42696 8.424684  13.98682       10.54075  
1 1 1 32 6  7  o 165.0582 1.724128  272.7344       4.021661  260.7314       8.043323  284.7375       8.043323  161.4222 2.491393  168.6942 2.383995  -7.272018      3.448256  
1 1 1 32 6  8  o 104.3614 2.441971  109.1710       3.597576  101.6089       7.195153  116.7330       7.195153  100.7383 3.571208  107.9844 3.331571  -7.246040      4.883943  
1 1 1 32 6  9  o 175.0026 1.941558  306.8423       4.798357  287.9872       9.596713  325.6974       9.596713  169.6155 2.828961  180.3897 2.659995  -10.77420      3.883117  
1 1 1 32 6  10 o 35.32103 6.762528  13.04657       3.487981  15.14318       6.975962  10.94998       6.975962  37.92737 9.263469  32.71469 9.854708  5.212681       13.52506  
1 1 1 32 6  11 o 143.7384 2.626884  207.9256       5.308212  181.9278       10.61642  233.9235       10.61642  134.6949 3.940915  152.7819 3.474374  -18.08693      5.253768  
1 1 1 32 6  12 o 167.3828 2.071600  280.7015       4.903187  285.7762       9.806375  275.6268       9.806375  168.8987 2.903033  165.8670 2.956096  3.031784       4.143200  
1 1 1 32 6  13 o 51.37187 5.693828  26.91273       4.136022  26.39811       8.272044  27.42735       8.272044  50.87100 8.130412  51.87275 7.973400  -1.001751      11.38766  
1 1 1 32 6  14 o 83.64552 2.662422  70.66021       3.125841  60.75378       6.251682  80.56666       6.251682  77.72384 4.021728  89.56720 3.489940  -11.84336      5.324845  
1 1 1 32 6  15 o 211.3892 2.083495  448.3772       6.227858  456.3251       12.45572  440.4291       12.45572  213.2691 2.920187  209.5093 2.972593  3.759888       4.166989  
1 1 1 32 6  16 o 136.9501 2.482118  188.9085       4.798357  202.1123       9.596713  175.7047       9.596713  141.7708 3.384588  132.1295 3.631557  9.641327       4.964237  
1 1 1 32 6  17 o 84.86575 4.487036  73.60499       5.384452  75.04878       10.76890  72.16119       10.76890  85.71638 6.281707  84.01512 6.408909  1.701263       8.974072  
1 1 1 32 6  18 o 55.02113 8.463112  34.30325       6.399398  32.24953       12.79880  36.35696       12.79880  53.18392 12.27310  56.85833 11.65625  -3.674404      16.92622  
1 1 1 32 6  19 o 35.03044 9.366157  11.37883       6.623353  4.469572       13.24671  18.28808       13.24671  30.21739 12.75933  39.84349 13.71492  -9.626095      18.73231  
1 1 1 32 6  20 o 25.81331 11.88360  -5.393982      14.21877  -5.393982      14.21877  ?              ?         25.81331 11.88360  ?        ?         ?              ?         
1 1 1 32 7  0  o 38.12777 7.289584  16.00088       4.984192  16.00088       4.984192  16.00088       4.984192  38.12777 7.289584  38.12777 7.289584  0.000000       0.000000  
1 1 1 32 7  1  o 345.2308 2.079011  1192.737       10.14945  1211.073       20.29891  1174.401       20.29891  347.8863 2.917463  342.5752 2.962694  5.311127       4.158022  
1 1 1 32 7  2  o 126.8331 1.343758  162.7963       2.368206  197.6237       4.736412  127.9689       4.736412  140.5627 1.684804  113.1034 2.093841  27.45927       2.687515  
1 1 1 32 7  3  o 93.40692 1.465292  87.30912       1.934591  90.58269       3.869182  84.03558       3.869182  95.15923 2.033004  91.65461 2.110740  3.504623       2.930585  
1 1 1 32 7  4  o 259.2597 1.690231  672.6563       6.194502  695.5950       12.38900  649.7176       12.38900  263.6836 2.349218  254.8358 2.430782  8.847778       3.380462  
1 1 1 32 7  5  o 89.54147 2.115206  80.24740       2.677931  82.15816       5.355862  78.33664       5.355862  90.60844 2.955498  88.47450 3.026783  2.133942       4.230412  
1 1 1 32 7  6  o 58.86674 3.260500  34.78928       2.706521  31.74445       5.413042  37.83411       5.413042  56.28053 4.808983  61.45295 4.404217  -5.172424      6.521000  
1 1 1 32 7  7  o 240.2714 1.831450  577.6802       6.223093  581.1301       12.44619  574.2304       12.44619  240.9893 2.582310  239.5535 2.597788  1.435822       3.662899  
1 1 1 32 7  8  o 149.2034 2.102834  222.8496       4.436216  217.7415       8.872433  227.9577       8.872433  147.4916 3.007776  150.9151 2.939544  -3.423569      4.205667  
1 1 1 32 7  9  o 242.5427 2.127743  589.3640       7.290452  557.8388       14.58090  620.8893       14.58090  236.0438 3.088602  249.0416 2.927404  -12.99782      4.255486  
1 1 1 32 7  10 o 424.3613 3.001440  1807.089       17.99265  1708.787       35.98529  1905.391       35.98529  412.7790 4.358907  435.9437 4.127287  -23.16470      6.002880  
1 1 1 32 7  11 o 87.63371 2.722850  77.09296       3.368856  82.22487       6.737713  71.96106       6.737713  90.56176 3.719955  84.70567 3.977132  5.856087       5.445699  
1 1 1 32 7  12 o 109.9660 2.753815  122.0126       4.245616  140.3960       8.491233  103.6293       8.491233  118.3247 3.588107  101.6074 4.178453  16.71732       5.507629  
1 1 1 32 7  13 o 69.40545 4.495743  49.16529       4.355212  40.15944       8.710423  58.17115       8.710423  62.91759 6.922090  75.89330 5.738598  -12.97571      8.991487  
1 1 1 32 7  14 o 30.54568 6.432733  9.701544       3.016246  7.871783       6.032492  11.53130       6.032492  28.14820 9.259556  32.94317 8.932012  -4.794968      12.86547  
1 1 1 32 7  15 o 52.68602 5.516248  29.41436       3.864417  37.90083       7.728833  20.92789       7.728833  61.08308 6.326492  44.28896 9.038334  16.79412       11.03250  
1 1 1 32 7  16 o 95.24351 3.295257  91.82635       4.426687  84.16899       8.853374  99.48371       8.853374  91.22363 4.852566  99.26339 4.459537  -8.039764      6.590514  
1 1 1 32 7  17 o 24.73136 7.805144  -3.183021      5.565523  -5.127142      11.13105  -1.238901      11.13105  23.74059 10.78278  25.72213 11.28772  -1.981539      15.61029  
1 1 1 32 7  18 o 67.13840 6.712533  50.71391       5.718002  28.95215       11.43600  72.47568       11.43600  50.54875 11.55827  83.72805 6.829255  -33.17930      13.42507  
1 1 1 32 7  19 o 43.95560 9.230796  22.96731       6.170677  25.09250       12.34135  20.84212       12.34135  45.91863 12.90530  41.99258 13.20166  3.926044       18.46159  
1 1 1 32 7  20 o 32.98737 13.64422  9.491883       14.65715  9.491883       14.65715  ?              ?         32.98737 13.64422  ?        ?         ?              ?         
1 1 1 32 8  0  o 97.39063 3.330655  95.22379       6.470873  95.22379       6.470873  95.22379       6.470873  97.39063 3.330655  97.39063 3.330655  0.000000       0.000000  
1 1 1 32 8  1  o 188.1446 1.438074  354.1064       3.826297  351.4380       7.652593  356.7747       7.652593  187.4354 2.041395  188.8537 2.026064  -1.418259      2.876148  
1 1 1 32 8  2  o 288.0638 1.781233  832.3601       7.228508  916.5195       14.45702  748.2006       14.45702  302.6716 2.388234  273.4561 2.643389  29.21555       3.562467  
1 1 1 32 8  3  o 299.2404 1.920272  897.1736       8.110033  831.5310       16.22007  962.8163       16.22007  288.2722 2.813325  310.2086 2.614381  -21.93643      3.840545  
1 1 1 32 8  4  o 83.80673 1.906938  70.30761       2.258611  67.34853       4.517222  73.26667       4.517222  82.04132 2.753016  85.57214 2.639423  -3.530815      3.813877  
1 1 1 32 8  5  o 119.3557 1.580772  142.6832       2.663636  133.0007       5.327272  152.3657       5.327272  115.2996 2.310187  123.4119 2.158330  -8.112297      3.161543  
1 1 1 32 8  6  o 152.7957 1.807604  233.9425       3.897772  251.4205       7.795544  216.4645       7.795544  158.5151 2.458928  147.0763 2.650170  11.43881       3.615208  
1 1 1 32 8  7  o 70.06085 2.952896  49.16529       2.925711  49.48931       5.851423  48.84127       5.851423  70.29210 4.162220  69.82961 4.189786  0.4624863      5.905792  
1 1 1 32 8  8  o 242.8592 1.816499  590.3313       6.237388  605.0981       12.47478  575.5646       12.47478  245.8994 2.536561  239.8190 2.600873  6.080383       3.632998  
1 1 1 32 8  9  o 96.86841 2.168844  94.19933       2.959066  103.9819       5.918132  84.41678       5.918132  101.9178 2.903385  91.81901 3.222716  10.09881       4.337688  
1 1 1 32 8  10 o 291.0612 2.067734  848.3658       8.510294  863.1325       17.02059  833.5989       17.02059  293.5979 2.898622  288.5245 2.949592  5.073456       4.135468  
1 1 1 32 8  11 f 79.88037 2.809522  64.32753       3.149666  73.43821       6.299332  55.21684       6.299332  85.58307 3.680244  74.17767 4.246111  11.40540       5.619045  
1 1 1 32 8  12 o 66.28258 3.677858  44.46223       3.416506  51.28095       6.833013  37.64351       6.833013  71.42625 4.783265  61.13890 5.588106  10.28735       7.355715  
1 1 1 32 8  13 f 104.9758 3.255402  110.9149       4.831712  113.7501       9.663424  108.0798       9.663424  106.3262 4.544235  103.6254 4.662671  2.700783       6.510804  
1 1 1 32 8  14 o 76.04222 3.313340  58.61905       3.530867  67.62491       7.061733  49.61320       7.061733  81.96383 4.307835  70.12061 5.035419  11.84322       6.626680  
1 1 1 32 8  15 o 78.74986 3.588723  62.71219       3.993072  59.64830       7.986144  65.77609       7.986144  76.80452 5.199006  80.69519 4.948339  -3.890671      7.177446  
1 1 1 32 8  16 o 85.00813 3.998684  74.53416       4.688762  55.92206       9.377523  93.14626       9.377523  74.06087 6.330957  95.95538 4.886398  -21.89450      7.997369  
1 1 1 32 8  17 o 22.90379 7.377857  -5.837127      5.327272  -2.372971      10.65454  -9.301284      10.65454  24.51379 10.87322  21.29378 9.975176  3.220015       14.75571  
1 1 1 32 8  18 o 39.73598 9.402407  17.70198       6.251682  20.14643       12.50336  15.25754       12.50336  41.83315 13.30564  37.63882 13.28837  4.194328       18.80481  
1 1 1 32 8  19 o 45.94438 7.472087  21.89042       6.356512  48.06934       12.71302  -4.288502      12.71302  66.59257 9.545379  25.29620 11.49844  41.29637       14.94417  
1 1 1 32 8  20 o 33.44233 13.96678  10.39723       15.59109  10.39723       15.59109  ?              ?         33.44233 13.96678  ?        ?         ?              ?         
1 1 1 32 9  0  o 256.1693 3.416502  656.8840       17.49709  656.8840       17.49709  656.8840       17.49709  256.1693 3.416502  256.1693 3.416502  0.000000       0.000000  
1 1 1 32 9  1  o 212.2668 1.457936  450.8836       4.374272  433.9678       8.748544  467.7993       8.748544  208.2822 2.100166  216.2513 2.022772  -7.969101      2.915871  
1 1 1 32 9  2  o 249.5332 1.646164  623.3242       5.803772  592.2325       11.60754  654.4158       11.60754  243.3032 2.385407  255.7631 2.269198  -12.45992      3.292329  
1 1 1 32 9  3  o 185.4917 1.496551  344.7193       3.916832  317.8161       7.833663  371.6225       7.833663  178.2398 2.197507  192.7435 2.032147  -14.50374      2.993101  
1 1 1 32 9  4  o 450.2472 2.567854  2030.749       16.33442  1926.281       32.66885  2135.216       32.66885  438.6461 3.723828  461.8484 3.536751  -23.20230      5.135709  
1 1 1 32 9  5  o 77.13440 2.241793  59.56729       2.444446  57.59935       4.888892  61.53524       4.888892  75.85874 3.222365  78.41006 3.117516  -2.551315      4.483586  
1 1 1 32 9  6  o 332.1889 2.237761  1105.013       10.50683  1062.462       21.01366  1147.565       21.01366  325.7842 3.225089  338.5936 3.103080  -12.80942      4.475523  
1 1 1 32 9  7  o 310.2462 2.119039  963.3881       9.296518  948.2926       18.59304  978.4836       18.59304  307.8133 3.020181  312.6790 2.973183  -4.865662      4.238079  
1 1 1 32 9  8  o 315.4227 2.111788  997.6341       9.396584  916.3193       18.79317  1078.949       18.79317  302.5329 3.105971  328.3125 2.862085  -25.77960      4.223575  
1 1 1 32 9  9  o 102.8339 2.241584  106.1023       3.249731  115.7609       6.499463  96.44363       6.499463  107.5302 3.022157  98.13771 3.311399  9.392471       4.483168  
1 1 1 32 9  10 f 94.39915 2.473907  89.29613       3.302146  87.44731       6.604293  91.14496       6.604293  93.41990 3.534736  95.37842 3.462153  -1.958519      4.947814  
1 1 1 32 9  11 o 110.9632 2.382157  123.7804       3.721466  137.2511       7.442933  110.3098       7.442933  117.0331 3.179842  104.8933 3.547858  12.13975       4.764315  
1 1 1 32 9  12 o 60.71696 4.210909  37.20990       3.611871  39.18738       7.223743  35.23243       7.223743  62.34540 5.793325  59.08853 6.112644  3.256874       8.421819  
1 1 1 32 9  13 o 114.2806 2.562146  131.1186       4.140787  132.0668       8.281574  130.1703       8.281574  114.6955 3.610244  113.8657 3.636552  0.8297424      5.124292  
1 1 1 32 9  14 o 94.85117 2.684029  90.48738       3.597576  94.56622       7.195153  86.40855       7.195153  97.00129 3.708793  92.70103 3.880838  4.300255       5.368058  
1 1 1 32 9  15 o 63.63244 4.442147  41.28398       3.983541  37.37667       7.967083  45.19128       7.967083  60.56223 6.577601  66.70265 5.972089  -6.140423      8.884294  
1 1 1 32 9  16 o 105.8980 3.255237  113.3260       4.874598  115.2273       9.749194  111.4248       9.749194  106.7957 4.564413  105.0004 4.642457  1.795349       6.510474  
1 1 1 32 9  17 f 75.55469 4.976851  59.12414       5.270092  67.96799       10.54018  50.28030       10.54018  81.40730 6.473733  69.70208 7.560882  11.70522       9.953701  
1 1 1 32 9  18 o 29.80599 8.598437  3.387917       6.127792  -5.479752      12.25558  12.25558       12.25558  24.52169 11.18458  35.09028 13.06284  -10.56859      17.19687  
1 1 1 32 9  19 o 29.93164 13.12561  1.553391       15.02882  1.553391       15.02882  ?              ?         29.93164 13.12561  ?        ?         ?              ?         
1 1 1 32 9  20 o 32.27554 13.93931  8.891494       16.44879  8.891494       16.44879  ?              ?         32.27554 13.93931  ?        ?         ?              ?         
1 1 1 32 10 0  o 190.4100 2.891875  362.9312       11.00715  362.9312       11.00715  362.9312       11.00715  190.4100 2.891875  190.4100 2.891875  0.000000       0.000000  
1 1 1 32 10 1  o 178.7220 1.424094  319.6268       3.597576  331.4059       7.195153  307.8477       7.195153  182.0173 1.976502  175.4266 2.050759  6.590729       2.848188  
1 1 1 32 10 2  o 304.8220 1.903789  929.8187       8.205333  950.9038       16.41067  908.7335       16.41067  308.2806 2.661644  301.3634 2.722737  6.917206       3.807577  
1 1 1 32 10 3  o 147.9970 1.518243  219.3045       3.173491  232.2843       6.346982  206.3246       6.346982  152.3822 2.082586  143.6119 2.209769  8.770340       3.036486  
1 1 1 32 10 4  o 47.88725 3.126384  22.98161       2.115661  24.01561       4.231322  21.94760       4.231322  48.96687 4.320596  46.80762 4.519907  2.159248       6.252768  
1 1 1 32 10 5  o 151.2693 1.472687  228.9583       3.149666  234.9527       6.299332  222.9640       6.299332  153.2506 2.055239  149.2879 2.109793  3.962708       2.945375  
1 1 1 32 10 6  o 280.6177 1.943574  789.2415       7.695479  727.6826       15.39096  850.8006       15.39096  269.6493 2.853884  291.5862 2.639178  -21.93698      3.887147  
1 1 1 32 10 7  o 164.7125 1.741031  271.4860       4.055017  266.4779       8.110033  276.4940       8.110033  163.1923 2.484809  166.2328 2.439361  -3.040466      3.482062  
1 1 1 32 10 8  o 174.6768 1.785455  305.5034       4.407627  292.5330       8.815253  318.4737       8.815253  170.9642 2.578099  178.3895 2.470788  -7.425339      3.570909  
1 1 1 32 10 9  o 155.1147 1.939958  240.8661       4.255147  244.8925       8.510294  236.8396       8.510294  156.4125 2.720464  153.8168 2.766374  2.595764       3.879916  
1 1 1 32 10 10 f 137.8467 2.044704  190.5096       3.978776  203.7610       7.957553  177.2581       7.957553  142.6533 2.789124  133.0401 2.990660  9.613190       4.089408  
1 1 1 32 10 11 o 64.80135 3.714180  42.67536       3.349797  34.01258       6.699593  51.33813       6.699593  58.11724 5.763860  71.48544 4.685984  -13.36820      7.428360  
1 1 1 32 10 12 o 156.5691 2.201559  245.7788       4.874598  243.6155       9.749194  247.9421       9.749194  155.8783 3.127182  157.2600 3.099706  -1.381699      4.403118  
1 1 1 32 10 13 o 203.8559 2.044738  416.9233       5.889543  396.4767       11.77909  437.3700       11.77909  198.8409 2.961937  208.8708 2.819705  -10.02994      4.089475  
1 1 1 32 10 14 o 127.5612 2.472774  163.7159       4.450512  176.5147       8.901024  150.9171       8.901024  132.5779 3.356904  122.5444 3.631753  10.03345       4.945547  
1 1 1 32 10 15 o 33.46662 7.510842  11.48842       4.107431  7.624003       8.214863  15.35284       8.214863  29.31043 10.72829  37.62281 10.51450  -8.312382      15.02168  
1 1 1 32 10 16 o 72.74440 4.957264  54.26861       5.093787  57.24674       10.18757  51.29048       10.18757  74.79138 6.810661  70.69743 7.205053  4.093956       9.914529  
1 1 1 32 10 17 o 69.35362 6.003736  50.71392       5.803772  41.26492       11.60754  60.16291       11.60754  62.54144 9.279884  76.16581 7.619918  -13.62437      12.00747  
1 1 1 32 10 18 o 31.73973 8.785124  3.792941       6.566173  17.88782       13.13235  -10.30193      13.13235  39.90712 13.66195  23.57233 11.04829  16.33479       17.57025  
1 1 1 32 10 19 o 47.61861 15.00673  28.86638       15.93417  28.86638       15.93417  ?              ?         47.61861 15.00673  ?        ?         ?              ?         
1 1 1 32 11 0  o 84.49275 3.960666  71.90388       6.661473  71.90388       6.661473  71.90388       6.661473  84.49275 3.960666  84.49275 3.960666  0.000000       0.000000  
1 1 1 32 11 1  o 317.4484 1.977561  1008.427       8.877199  1024.628       17.75440  992.2259       17.75440  320.0002 2.774123  314.8967 2.819083  5.103516       3.955122  
1 1 1 32 11 2  o 95.25330 1.865168  90.93053       2.506391  98.26387       5.012782  83.59720       5.012782  99.10268 2.529085  91.40392 2.742105  7.698769       3.730336  
1 1 1 32 11 3  o 68.74360 2.204315  47.41653       2.134721  52.21489       4.269442  42.61818       4.269442  72.23363 2.955300  65.25356 3.271424  6.980072       4.408630  
1 1 1 32 11 4  o 37.81699 4.028848  14.65715       2.077541  12.14122       4.155082  17.17307       4.155082  34.24076 6.303631  41.39323 5.019035  -7.152470      8.057696  
1 1 1 32 11 5  o 127.4084 1.710864  162.5819       3.078191  152.4610       6.156383  172.7027       6.156383  123.4366 2.493742  131.3802 2.342964  -7.943626      3.421729  
1 1 1 32 11 6  o 243.5972 1.733807  594.2005       5.965783  627.7509       11.93157  560.6501       11.93157  250.4837 2.381705  236.7108 2.520283  13.77289       3.467614  
1 1 1 32 11 7  o 225.4621 1.757939  508.7641       5.603642  494.8549       11.20728  522.6731       11.20728  222.3776 2.519877  228.5467 2.451859  -6.169128      3.515877  
1 1 1 32 11 8  o 147.9084 1.777568  219.9382       3.692876  190.4095       7.385753  249.4669       7.385753  137.9264 2.677426  157.8905 2.338884  -19.96419      3.555136  
1 1 1 32 11 9  o 300.4817 2.158916  904.2354       9.172628  884.8609       18.34526  923.6098       18.34526  297.2578 3.085749  303.7056 3.020237  -6.447845      4.317833  
1 1 1 32 11 10 o 227.2759 1.920151  517.2648       6.170677  506.4816       12.34135  528.0480       12.34135  224.9036 2.743699  229.6482 2.687013  -4.744553      3.840302  
1 1 1 32 11 11 o 71.16742 3.461428  50.90928       3.483216  51.96711       6.966432  49.85145       6.966432  71.91061 4.843814  70.42422 4.946049  1.486397       6.922856  
1 1 1 32 11 12 o 30.16069 6.602684  8.715188       3.359326  3.287851       6.718653  14.14252       6.718653  23.86483 9.466487  36.45656 9.206922  -12.59174      13.20537  
1 1 1 32 11 13 o 184.9000 2.028222  342.8419       5.303447  345.4055       10.60689  340.2784       10.60689  185.5933 2.857565  184.2068 2.879072  1.386459       4.056444  
1 1 1 32 11 14 o 95.35181 3.222570  91.89306       4.326622  82.08192       8.653244  101.7042       8.653244  90.20710 4.796321  100.4965 4.305246  -10.28941      6.445141  
1 1 1 32 11 15 o 136.5772 2.649475  187.9507       5.112847  197.0805       10.22569  178.8210       10.22569  139.9195 3.654134  133.2349 3.837469  6.684662       5.298949  
1 1 1 32 11 16 o 136.0632 2.830827  186.9977       5.432102  171.1017       10.86420  202.8938       10.86420  130.2218 4.171424  141.9046 3.827996  -11.68285      5.661654  
1 1 1 32 11 17 o 30.97987 8.437847  4.545812       5.884778  15.94370       11.76956  -6.852073      11.76956  38.36816 12.93368  23.59158 10.84016  14.77658       16.87569  
1 1 1 32 11 18 o 58.72849 7.586593  38.07236       6.165912  36.10918       12.33182  40.03555       12.33182  56.57320 11.29878  60.88378 10.12735  -4.310585      15.17319  
1 1 1 32 11 19 o 53.09844 9.675034  35.25625       7.719304  48.71738       15.43861  21.79512       15.43861  64.07381 12.49323  42.12307 14.77648  21.95075       19.35007  
1 1 1 32 12 0  o 319.7511 3.937015  1023.513       25.16874  1023.513       25.16874  1023.513       25.16874  319.7511 3.937015  319.7511 3.937015  0.000000       0.000000  
1 1 1 32 12 1  o 120.7922 1.505200  146.4333       2.558806  163.0393       5.117612  129.8272       5.117612  127.6660 2.004298  113.9184 2.246175  13.74761       3.010401  
1 1 1 32 12 2  o 155.1401 1.471084  241.3283       3.216377  264.4957       6.432753  218.1608       6.432753  162.6067 1.978010  147.6735 2.178033  14.93323       2.942168  
1 1 1 32 12 3  o 67.63448 2.511927  45.92985       2.392031  50.89975       4.784062  40.95996       4.784062  71.30857 3.354479  63.96040 3.739863  7.348171       5.023853  
1 1 1 32 12 4  o 211.5053 1.738046  448.4343       5.184323  486.9165       10.36865  409.9522       10.36865  220.6025 2.350074  202.4081 2.561322  18.19443       3.476092  
1 1 1 32 12 5  o 133.3586 1.699889  179.3261       3.168726  210.6893       6.337452  147.9628       6.337452  145.1175 2.183558  121.5995 2.605870  23.51799       3.399777  
1 1 1 32 12 6  o 109.8434 1.917963  120.7737       2.978126  116.6949       5.956253  124.8526       5.956253  107.9868 2.757862  111.7001 2.666181  -3.713318      3.835925  
1 1 1 32 12 7  o 31.44327 5.702003  10.33529       2.606456  7.176094       5.212912  13.49448       5.212912  26.94001 8.593682  35.94652 7.496663  -9.006508      11.40401  
1 1 1 32 12 8  o 92.81700 2.268824  86.26083       2.978126  86.15123       5.956253  86.37042       5.956253  92.75797 3.210642  92.87605 3.206560  -0.1180801     4.537649  
1 1 1 32 12 9  o 60.33917 3.412150  36.54280       2.911416  37.10031       5.822832  35.98529       5.822832  60.80115 4.788423  59.87720 4.862312  0.9239464      6.824300  
1 1 1 32 12 10 f 58.27349 3.910604  34.16507       3.221142  35.41349       6.442283  32.91663       6.442283  59.34467 5.427852  57.20230 5.631139  2.142368       7.821208  
1 1 1 32 12 11 o 87.47263 3.050139  78.16032       3.673816  98.54025       7.347633  57.78041       7.347633  99.12193 3.706361  75.82333 4.845233  23.29861       6.100278  
1 1 1 32 12 12 o 93.48489 3.122651  87.93810       4.126492  90.99248       8.252983  84.88374       8.252983  95.11851 4.338264  91.85127 4.492580  3.267235       6.245303  
1 1 1 32 12 13 o 57.55759 4.715385  34.32231       3.716702  44.00956       7.433403  24.63506       7.433403  65.97286 5.633683  49.14233 7.563138  16.83054       9.430770  
1 1 1 32 12 14 o 106.6633 2.583250  114.6888       3.878712  102.0568       7.757423  127.3208       7.757423  100.7418 3.850151  112.5847 3.445149  -11.84291      5.166499  
1 1 1 32 12 15 o 98.51689 3.381661  99.04057       4.645877  117.7908       9.291754  80.29029       9.291754  108.0332 4.300417  89.00061 5.220051  19.03256       6.763321  
1 1 1 32 12 16 o 143.4396 2.734339  207.3729       5.546463  209.6696       11.09293  205.0761       11.09293  144.2402 3.845297  142.6390 3.888462  1.601181       5.468678  
1 1 1 32 12 17 o 42.04686 8.288372  19.80335       5.289153  13.43731       10.57831  26.16939       10.57831  35.73610 12.26032  48.35762 11.15675  -12.62152      16.57674  
1 1 1 32 12 18 o 76.87738 5.931166  62.67884       6.418458  69.26407       12.83692  56.09360       12.83692  81.16032 7.908369  72.59443 8.841529  8.565895       11.86233  
1 1 1 32 12 19 o 29.39345 12.92959  1.381850       14.67621  1.381850       14.67621  ?              ?         29.39345 12.92959  ?        ?         ?              ?         
1 1 1 32 13 0  o 20.60818 10.96145  6.194502       6.042023  6.194502       6.042023  6.194502       6.042023  20.60818 10.96145  20.60818 10.96145  0.000000       0.000000  
1 1 1 32 13 1  o 118.4158 1.613173  141.6015       2.663636  168.7859       5.327272  114.4172       5.327272  129.8941 2.050621  106.9374 2.490836  22.95668       3.226346  
1 1 1 32 13 2  o 110.7446 1.671636  123.3659       2.596926  141.3871       5.193852  105.3447       5.193852  118.8809 2.184476  102.6082 2.530916  16.27279       3.343273  
1 1 1 32 13 3  o 354.4395 2.144259  1257.622       10.74508  1292.392       21.49016  1222.852       21.49016  359.3444 2.990190  349.5345 3.074111  9.809906       4.288519  
1 1 1 32 13 4  o 499.0481 2.845922  2494.612       20.08448  2467.204       40.16896  2522.020       40.16896  496.3021 4.046827  501.7942 4.002534  -5.492126      5.691844  
1 1 1 32 13 5  o 121.6373 1.754434  148.2535       3.011481  159.4846       6.022963  137.0224       6.022963  126.2539 2.385257  117.0207 2.573461  9.233276       3.508868  
1 1 1 32 13 6  f 288.3394 2.027645  832.1647       8.267279  846.4835       16.53456  817.8458       16.53456  290.8224 2.842724  285.8564 2.892108  4.965973       4.055289  
1 1 1 32 13 7  o 153.5076 1.679728  235.8723       3.645226  243.2438       7.290452  228.5009       7.290452  155.9086 2.338053  151.1066 2.412354  4.802002       3.359456  
1 1 1 32 13 8  o 33.61072 5.435780  11.72667       2.754171  4.812652       5.508343  18.64069       5.508343  24.16299 8.790759  43.05844 6.396356  -18.89545      10.87156  
1 1 1 32 13 9  o 189.9745 1.802011  361.2872       4.841242  358.3377       9.682484  364.2367       9.682484  189.1982 2.558821  190.7507 2.537994  -1.552582      3.604022  
1 1 1 32 13 10 o 80.27276 3.049211  64.94221       3.440331  73.19043       6.880662  56.69400       6.880662  85.41038 4.028002  75.13514 4.578858  10.27524       6.098421  
1 1 1 32 13 11 o 81.18433 3.312279  66.35742       3.792941  60.84907       7.585882  71.86575       7.585882  77.79183 4.875758  84.57681 4.484612  -6.784981      6.624557  
1 1 1 32 13 12 o 110.2903 2.599807  122.1318       4.055017  122.4320       8.110033  121.8316       8.110033  110.4264 3.672143  110.1542 3.681217  0.2722015      5.199614  
1 1 1 32 13 13 o 149.2737 2.111533  223.7597       4.450512  238.2215       8.901024  209.2979       8.901024  154.1177 2.887736  144.4296 3.081440  9.688110       4.223066  
1 1 1 32 13 14 o 82.45412 3.527602  68.71133       4.107431  72.96171       8.214863  64.46095       8.214863  85.03154 4.830480  79.87671 5.142214  5.154831       7.055204  
1 1 1 32 13 15 o 143.0430 2.454494  205.8195       4.965132  207.6302       9.930264  204.0088       9.930264  143.6759 3.455786  142.4101 3.486503  1.265839       4.908988  
1 1 1 32 13 16 o 86.81750 4.498969  77.05962       5.517872  73.03795       11.03574  81.08127       11.03574  84.50135 6.529922  89.13367 6.190559  -4.632317      8.997938  
1 1 1 32 13 17 o 53.08538 8.019655  32.07323       6.123027  16.60127       12.24605  47.54519       12.24605  39.04545 13.19290  67.12532 9.121785  -28.07987      16.03931  
1 1 1 32 13 18 o 58.08995 8.178431  38.66322       6.480402  38.73947       12.96080  38.58699       12.96080  58.15746 11.55333  58.02244 11.57875  0.1350212      16.35686  
1 1 1 32 13 19 o 118.7918 4.706306  147.7103       7.905138  150.6789       15.81028  144.7417       15.81028  120.0413 6.585351  117.5423 6.725357  2.498993       9.412612  
1 1 1 32 14 0  o 63.57728 5.077369  41.23633       6.375573  41.23633       6.375573  41.23633       6.375573  63.57728 5.077369  63.57728 5.077369  0.000000       0.000000  
1 1 1 32 14 1  o 210.6777 1.575526  444.0982       4.693527  452.6085       9.387053  435.5879       9.387053  212.6974 2.206669  208.6580 2.249388  4.039459       3.151053  
1 1 1 32 14 2  o 242.7475 1.744790  589.6261       5.989607  584.0844       11.97921  595.1678       11.97921  241.6060 2.479080  243.8889 2.455875  -2.282883      3.489579  
1 1 1 32 14 3  o 175.4124 1.645828  308.0622       4.078841  292.3805       8.157682  323.7438       8.157682  170.9425 2.386090  179.8824 2.267505  -8.939850      3.291657  
1 1 1 32 14 4  o 294.6782 2.017698  869.2316       8.405463  896.2397       16.81093  842.2235       16.81093  299.2608 2.808742  290.0956 2.897481  9.165283       4.035397  
1 1 1 32 14 5  o 194.2494 1.665197  377.5311       4.574402  379.7993       9.148804  375.2630       9.148804  194.8332 2.347856  193.6656 2.362011  1.167633       3.330394  
1 1 1 32 14 6  o 261.0385 1.874255  681.9910       6.918783  689.2289       13.83757  674.7528       13.83757  262.4248 2.636482  259.6520 2.664636  2.772797       3.748509  
1 1 1 32 14 7  o 273.0387 1.900555  747.8289       7.314278  677.5452       14.62856  818.1127       14.62856  260.1680 2.811367  285.9094 2.558251  -25.74133      3.801109  
1 1 1 32 14 8  o 97.39345 2.319792  95.52876       3.168726  109.6427       6.337452  81.41482       6.337452  104.6393 3.028238  90.14761 3.515042  14.49167       4.639585  
1 1 1 32 14 9  o 55.17597 4.271588  30.82003       3.302146  26.01691       6.604293  35.62315       6.604293  50.82342 6.497293  59.52852 5.547167  -8.705097      8.543177  
1 1 1 32 14 10 o 233.9441 1.926667  550.5341       6.332687  622.8525       12.66537  478.2156       12.66537  249.4005 2.539164  218.4878 2.898417  30.91269       3.853333  
1 1 1 32 14 11 o 88.74123 3.136141  81.51488       3.759587  108.9661       7.519173  54.06371       7.519173  104.2082 3.607764  73.27424 5.130844  30.93398       6.272282  
1 1 1 32 14 12 f 129.0245 2.418617  167.0896       4.412392  163.3919       8.824783  170.7872       8.824783  127.5916 3.458215  130.4575 3.382246  -2.865837      4.837234  
1 1 1 32 14 13 o 108.3862 2.627443  118.0863       4.026426  121.0311       8.052853  115.1415       8.052853  109.7446 3.668906  107.0277 3.762042  2.716927       5.254886  
1 1 1 32 14 14 o 35.40713 7.705453  13.25624       4.236087  14.10441       8.472174  12.40806       8.472174  36.34684 10.84241  34.46741 10.95163  1.879429       15.41091  
1 1 1 32 14 15 o 63.44696 5.182444  41.99873       4.521987  52.96776       9.043974  31.02969       9.043974  72.09121 6.272591  54.80271 8.251393  17.28850       10.36489  
1 1 1 32 14 16 o 65.35677 5.547523  44.32405       5.103317  39.53045       10.20663  49.11764       10.20663  61.68952 8.272584  69.02402 7.393538  -7.334499      11.09505  
1 1 1 32 14 17 o 61.42381 7.486498  42.31798       6.142087  28.25646       12.28417  56.37950       12.28417  49.57995 12.40623  73.26765 8.383081  -23.68770      14.97300  
1 1 1 32 14 18 o 36.00177 9.476791  13.27530       6.537583  16.96341       13.07517  9.587184       13.07517  38.72419 13.59713  33.27935 13.20441  5.444839       18.95358  
1 1 1 32 14 19 o 79.52148 6.717414  70.11700       7.447698  57.80900       14.89540  82.42501       14.89540  71.78268 10.37534  87.26027 8.535040  -15.47758      13.43483  
1 1 1 32 15 0  o 122.2584 3.486716  149.9260       8.510294  149.9260       8.510294  149.9260       8.510294  122.2584 3.486716  122.2584 3.486716  0.000000       0.000000  
1 1 1 32 15 1  o 233.1884 1.696369  544.0917       5.594112  539.5889       11.18822  548.5947       11.18822  232.2229 2.408941  234.1539 2.389075  -1.931015      3.392738  
1 1 1 32 15 2  o 305.1214 1.992246  931.7723       8.596063  918.9305       17.19213  944.6140       17.19213  303.0171 2.836825  307.2257 2.797963  -4.208679      3.984492  
1 1 1 32 15 3  o 60.96449 2.755425  37.24802       2.372971  39.28268       4.745942  35.21336       4.745942  62.63321 3.788679  59.29576 4.001924  3.337452       5.510851  
1 1 1 32 15 4  o 287.3815 1.864181  826.4182       7.576353  823.7068       15.15271  829.1294       15.15271  286.9098 2.640674  287.8533 2.632019  -0.9434814     3.728362  
1 1 1 32 15 5  o 139.7562 1.760805  196.0465       3.464156  217.6843       6.928313  174.4086       6.928313  147.4975 2.348621  132.0149 2.624065  15.48259       3.521610  
1 1 1 32 15 6  o 142.9896 1.958136  205.3144       3.940656  182.1374       7.881313  228.4914       7.881313  134.8852 2.921489  151.0941 2.608082  -16.20885      3.916272  
1 1 1 32 15 7  o 145.9238 1.798703  213.1147       3.711936  213.2053       7.423873  213.0242       7.423873  145.9548 2.543209  145.8928 2.544290  0.6204224E-01  3.597405  
1 1 1 32 15 8  o 203.1740 1.785335  413.6117       5.122376  387.9093       10.24475  439.3141       10.24475  196.8488 2.602188  209.4993 2.445057  -12.65044      3.570671  
1 1 1 32 15 9  o 233.4923 1.887824  546.5362       6.223093  583.3506       12.44619  509.7218       12.44619  241.3757 2.578177  225.6089 2.758355  15.76688       3.775648  
1 1 1 32 15 10 o 121.8321 2.213250  148.7729       3.812001  144.2080       7.624003  153.3378       7.624003  119.9587 3.177763  123.7055 3.081513  -3.746857      4.426499  
1 1 1 32 15 11 o 226.4262 1.955315  513.8483       6.261212  513.9055       12.52242  513.7911       12.52242  226.4388 2.765079  226.4136 2.765388  0.2523804E-01  3.910631  
1 1 1 32 15 12 o 162.2769 2.162227  265.7394       4.917482  224.8509       9.834964  306.6279       9.834964  149.6786 3.285362  174.8753 2.811994  -25.19673      4.324455  
1 1 1 32 15 13 o 152.0188 2.194678  231.9698       4.717352  237.2399       9.434704  226.6997       9.434704  153.7522 3.068154  150.2854 3.138929  3.466736       4.389355  
1 1 1 32 15 14 o 97.62396 3.313319  96.29594       4.574402  96.14821       9.148804  96.44363       9.148804  97.54831 4.689371  97.69962 4.682108  -0.1513062     6.626638  
1 1 1 32 15 15 o 77.20657 4.769586  62.90279       4.941307  40.66453       9.882613  85.14105       9.882613  62.80477 7.867726  91.60837 5.393948  -28.80360      9.539171  
1 1 1 32 15 16 o 154.8920 2.782935  242.2384       6.094438  248.5711       12.18888  235.9057       12.18888  156.9363 3.883384  152.8478 3.987259  4.088455       5.565870  
1 1 1 32 15 17 o 49.67733 9.290113  29.03316       6.632883  27.44641       13.26577  30.61990       13.26577  48.23967 13.31968  51.11498 12.95418  -2.875313      18.58023  
1 1 1 32 15 18 o 50.72056 9.135648  30.95345       7.166563  46.98292       14.33313  14.92399       14.33313  63.97685 11.63138  37.46426 14.09082  26.51259       18.27130  
1 1 1 32 15 19 o 36.08726 14.25971  14.73339       15.19082  14.73339       15.19082  ?              ?         36.08726 14.25971  ?        ?         ?              ?         
1 1 1 32 16 0  o 283.3385 3.569912  803.6843       20.22267  803.6843       20.22267  803.6843       20.22267  283.3385 3.569912  283.3385 3.569912  0.000000       0.000000  
1 1 1 32 16 1  f 219.6473 1.661812  483.3952       5.150967  446.8619       10.30193  519.9284       10.30193  211.3309 2.437394  227.9637 2.259556  -16.63272      3.323625  
1 1 1 32 16 2  o 392.1733 2.339529  1539.968       12.97034  1589.691       25.94067  1490.245       25.94067  398.5127 3.254686  385.8339 3.361637  12.67877       4.679058  
1 1 1 32 16 3  o 369.5109 2.291469  1366.722       11.97445  1363.886       23.94890  1369.557       23.94890  369.1272 3.243990  369.8945 3.237261  -0.7673035     4.582939  
1 1 1 32 16 4  o 101.9846 1.987294  104.1534       2.863766  109.1376       5.727532  99.16922       5.727532  104.4282 2.742331  99.54097 2.876972  4.887199       3.974588  
1 1 1 32 16 5  o 99.49060 2.227313  99.67432       3.106781  114.7222       6.213562  84.62644       6.213562  107.0531 2.902095  91.92814 3.379576  15.12492       4.454625  
1 1 1 32 16 6  o 137.4634 1.915879  189.3993       3.716702  203.5418       7.433403  175.2568       7.433403  142.6075 2.606246  132.3193 2.808889  10.28821       3.831758  
1 1 1 32 16 7  o 54.24752 4.279957  32.47825       2.777996  49.98487       5.555993  14.97164       5.555993  70.62040 3.933702  37.87465 7.602507  32.74575       8.559914  
1 1 1 32 16 8  o 132.4909 2.128643  176.6434       3.959717  201.0068       7.919433  152.2799       7.919433  141.6853 2.794727  123.2965 3.211540  18.38876       4.257286  
1 1 1 32 16 9  o 68.74654 3.527553  47.57854       3.421271  43.78084       6.842543  51.37625       6.842543  65.98443 5.184968  71.50865 4.784416  -5.524223      7.055107  
1 1 1 32 16 10 o 123.4910 2.227993  152.9184       3.888242  159.5799       7.776483  146.2570       7.776483  126.1881 3.081306  120.7938 3.218908  5.394295       4.455986  
1 1 1 32 16 11 o 88.74567 2.988085  79.18481       3.750056  79.99486       7.500113  78.37476       7.500113  89.20205 4.204002  88.28928 4.247466  0.9127731      5.976169  
1 1 1 32 16 12 o 32.78006 6.468193  9.453763       3.864417  -2.172841      7.728833  21.08037       7.728833  21.02188 9.300613  44.53825 8.991590  -23.51637      12.93639  
1 1 1 32 16 13 o 82.74477 3.453082  69.08300       4.040722  68.76850       8.081444  69.39749       8.081444  82.55473 4.894598  82.93480 4.872167  -0.3800735     6.906164  
1 1 1 32 16 14 o 81.93882 3.795695  68.11571       4.398098  67.18652       8.796194  69.04488       8.796194  81.37183 5.404939  82.50581 5.330651  -1.133987      7.591390  
1 1 1 32 16 15 o 58.37759 5.734708  35.31343       4.717352  38.66323       9.434704  31.96363       9.434704  61.24667 7.702219  55.50851 8.498430  5.738155       11.46942  
1 1 1 32 16 16 o 137.4889 2.917918  191.9200       5.636997  216.7313       11.27399  167.1086       11.27399  146.5119 3.847467  128.4658 4.387936  18.04610       5.835836  
1 1 1 32 16 17 o 45.57348 8.738768  23.92507       6.165912  13.09423       12.33182  34.75592       12.33182  35.81223 13.14095  55.33473 11.52301  -19.52250      17.47754  
1 1 1 32 16 18 o 75.75431 7.191360  63.50795       7.681183  58.37127       15.36237  68.64462       15.36237  72.36396 10.61465  79.14466 9.705245  -6.780701      14.38272  
1 1 1 32 16 19 o 40.54759 15.10106  24.16809       16.38207  24.16809       16.38207  ?              ?         40.54759 15.10106  ?        ?         ?              ?         
1 1 1 32 17 0  o 110.3530 3.609661  122.2414       7.948023  122.2414       7.948023  122.2414       7.948023  110.3530 3.609661  110.3530 3.609661  0.000000       0.000000  
1 1 1 32 17 1  f 44.02273 3.841178  19.45550       2.387266  20.77541       4.774532  18.13560       4.774532  45.52184 5.244221  42.52361 5.613977  2.998230       7.682356  
1 1 1 32 17 2  o 224.0881 1.758330  503.1460       5.560757  465.8170       11.12151  540.4751       11.12151  215.7590 2.577300  232.4172 2.392576  -16.65817      3.516659  
1 1 1 32 17 3  o 352.2349 2.188365  1242.208       10.89756  1206.108       21.79512  1278.307       21.79512  347.1106 3.139507  357.3593 3.049469  -10.24872      4.376730  
1 1 1 32 17 4  o 154.0158 1.658986  237.4353       3.611871  245.5501       7.223743  229.3205       7.223743  156.6502 2.305692  151.3814 2.385942  5.268814       3.317971  
1 1 1 32 17 5  o 177.2855 1.728004  314.5902       4.331387  306.5707       8.662774  322.6097       8.662774  175.0238 2.474742  179.5473 2.412394  -4.523499      3.456008  
1 1 1 32 17 6  o 105.6714 2.257358  111.9156       3.368856  118.6390       6.737713  105.1922       6.737713  108.8527 3.094877  102.4901 3.287006  6.362556       4.514717  
1 1 1 32 17 7  o 85.15770 2.755464  72.92835       3.302146  81.23376       6.604293  64.62296       6.604293  90.03418 3.667659  80.28121 4.113225  9.752968       5.510929  
1 1 1 32 17 8  o 124.9646 2.168005  156.5684       3.826297  165.9174       7.652593  147.2195       7.652593  128.7053 2.972914  121.2240 3.156385  7.481255       4.336010  
1 1 1 32 17 9  o 60.86259 3.984820  37.92942       3.340266  28.10398       6.680532  47.75485       6.680532  52.79077 6.327368  68.93441 4.845572  -16.14364      7.969640  
1 1 1 32 17 10 o 155.0256 2.097763  241.0900       4.593462  227.3192       9.186924  254.8609       9.186924  150.5842 3.050428  159.4671 2.880507  -8.882935      4.195526  
1 1 1 32 17 11 o 138.5943 2.314691  192.8539       4.531517  182.1088       9.063033  203.5990       9.063033  134.7178 3.363710  142.4707 3.180666  -7.752899      4.629382  
1 1 1 32 17 12 o 115.4728 2.778937  134.2015       4.531517  142.4926       9.063033  125.9104       9.063033  119.0629 3.805987  111.8827 4.050238  7.180122       5.557874  
1 1 1 32 17 13 o 75.14687 3.937981  57.21338       4.178907  53.68251       8.357814  60.74424       8.357814  72.79755 5.740449  77.49618 5.392404  -4.698631      7.875962  
1 1 1 32 17 14 o 116.6558 3.027151  137.3131       4.993722  139.1857       9.987444  135.4404       9.987444  117.4584 4.251482  115.8531 4.310390  1.605278       6.054301  
1 1 1 32 17 15 o 118.7178 3.351827  143.5409       5.570287  166.7846       11.14057  120.2972       11.14057  128.5072 4.334610  108.9283 5.113720  19.57893       6.703654  
1 1 1 32 17 16 f 31.11791 8.537643  7.857488       5.379687  7.023612       10.75937  8.691362       10.75937  30.47640 12.01407  31.75942 12.13373  -1.283018      17.07529  
1 1 1 32 17 17 o 39.96195 9.018635  17.35414       6.227858  7.509643       12.45572  27.19863       12.45572  31.73501 12.77709  48.18890 12.73142  -16.45388      18.03727  
1 1 1 32 17 18 o 102.9735 5.317718  112.8591       7.671653  129.6271       15.34331  96.09102       15.34331  111.1155 6.904218  94.83162 8.089763  16.28384       10.63544  
1 1 1 32 18 0  o 221.0377 3.543921  489.2704       15.65780  489.2704       15.65780  489.2704       15.65780  221.0377 3.543921  221.0377 3.543921  0.000000       0.000000  
1 1 1 32 18 1  o 89.68050 2.152809  80.50469       2.730346  80.33793       5.460692  80.67149       5.460692  89.58751 3.047686  89.77348 3.041373  -0.1859665     4.305617  
1 1 1 32 18 2  o 379.0363 2.314779  1438.416       12.40806  1442.214       24.81613  1434.618       24.81613  379.5372 3.269262  378.5353 3.277915  1.001923       4.629557  
1 1 1 32 18 3  o 144.6309 1.754154  210.6321       3.554691  243.5678       7.109383  177.6965       7.109383  156.0170 2.278400  133.2447 2.667791  22.77225       3.508307  
1 1 1 32 18 4  o 150.2247 1.785991  226.2899       3.783412  206.5056       7.566823  246.0742       7.566823  143.6398 2.633957  156.8096 2.412742  -13.16980      3.571982  
1 1 1 32 18 5  f 99.72530 2.385744  100.6416       3.311677  121.0882       6.623353  80.19498       6.623353  109.9768 3.011251  89.47382 3.701280  20.50294       4.771489  
1 1 1 32 18 6  o 115.0494 2.111548  132.5433       3.435566  132.0859       6.871132  133.0007       6.871132  114.8506 2.991336  115.2482 2.981016  -0.3976059     4.223097  
1 1 1 32 18 7  o 143.8054 1.901614  207.1537       3.864417  216.4454       7.728833  197.8620       7.728833  147.0361 2.628209  140.5748 2.749012  6.461334       3.803229  
1 1 1 32 18 8  f 139.6779 1.934789  195.5700       3.816766  207.2204       7.633533  183.9196       7.633533  143.8484 2.653326  135.5075 2.816647  8.340912       3.869579  
1 1 1 32 18 9  o 137.0676 2.143445  188.3891       4.150317  178.1825       8.300633  198.5957       8.300633  133.3444 3.112480  140.7908 2.947861  -7.446411      4.286889  
1 1 1 32 18 10 o 29.43393 7.338354  7.952788       3.812001  8.071913       7.624003  7.833663       7.624003  29.55510 10.38232  29.31275 10.37368  0.2423515      14.67671  
1 1 1 32 18 11 o 132.6827 2.373941  176.9436       4.445747  164.1924       8.891494  189.6947       8.891494  127.8776 3.476564  137.4879 3.233556  -9.610252      4.747882  
1 1 1 32 18 12 o 83.25978 3.779038  70.10748       4.445747  66.72909       8.891494  73.48586       8.891494  81.23096 5.472971  85.28860 5.212592  -4.057640      7.558077  
1 1 1 32 18 13 o 36.20606 7.209150  13.93763       4.016897  19.23155       8.033793  8.643713       8.033793  42.18950 9.715407  30.22263 10.65356  11.96687       14.41830  
1 1 1 32 18 14 o 119.8215 2.969474  144.8084       5.031842  145.3516       10.06368  144.2652       10.06368  120.0482 4.191518  119.5949 4.207407  0.4533539      5.938947  
1 1 1 32 18 15 o 147.1160 2.909399  218.5134       6.051552  212.8526       12.10310  224.1743       12.10310  145.1921 4.167963  149.0399 4.060356  -3.847855      5.818798  
1 1 1 32 18 16 o 28.82837 8.022359  1.134070       5.608407  -12.21746      11.21681  14.48561       11.21681  20.81108 9.899975  36.84566 12.62630  -16.03458      16.04472  
1 1 1 32 18 17 o 102.0888 4.719628  108.3704       6.813953  108.0416       13.62791  108.6992       13.62791  101.9277 6.685082  102.2498 6.664026  -0.3220596     9.439257  
1 1 1 32 18 18 o 101.7150 5.037054  109.0566       7.233273  102.0759       14.46655  116.0373       14.46655  98.28345 7.359604  105.1465 6.879234  -6.863037      10.07411  
1 1 1 32 19 0  o 257.1763 3.941157  662.4877       20.26079  662.4877       20.26079  662.4877       20.26079  257.1763 3.941157  257.1763 3.941157  0.000000       0.000000  
1 1 1 32 19 1  o 98.11355 2.082980  96.52941       2.882826  88.58139       5.765652  104.4774       5.765652  94.06313 3.064778  102.1640 2.821764  -8.100845      4.165959  
1 1 1 32 19 2  o 64.20778 3.526058  42.00826       3.125841  52.42455       6.251682  31.59196       6.251682  72.31918 4.322286  56.09638 5.572269  16.22279       7.052116  
1 1 1 32 19 3  o 297.0909 1.991654  883.5553       8.367344  895.6679       16.73469  871.4426       16.73469  299.1295 2.797232  295.0524 2.835884  4.077087       3.983308  
1 1 1 32 19 4  o 222.5492 1.965806  495.8747       6.184973  510.5891       12.36995  481.1604       12.36995  225.8550 2.738470  219.2433 2.821055  6.611740       3.931612  
1 1 1 32 19 5  o 153.9502 1.858550  237.2828       4.045487  243.1199       8.090974  231.4457       8.090974  155.8460 2.595823  152.0544 2.660552  3.791550       3.717100  
1 1 1 32 19 6  o 124.4766 2.056959  155.9585       3.592812  178.3159       7.185624  133.6011       7.185624  133.4571 2.692109  115.4960 3.110767  17.96113       4.113918  
1 1 1 32 19 7  o 168.8069 1.933830  285.5237       4.612522  299.3755       9.225043  271.6718       9.225043  172.9097 2.667590  164.7040 2.800492  8.205734       3.867660  
1 1 1 32 19 8  o 38.21695 5.776668  15.43861       3.125841  9.120214       6.251682  21.75700       6.251682  30.01097 9.388337  46.42292 6.733400  -16.41195      11.55334  
1 1 1 32 19 9  o 52.17932 4.993873  27.60365       3.678581  29.47630       7.357163  25.73101       7.357163  53.97375 6.815500  50.38489 7.300961  3.588863       9.987746  
1 1 1 32 19 10 o 126.0579 2.201874  159.5942       3.916832  171.6830       7.833663  147.5054       7.833663  130.8529 2.993310  121.2630 3.230031  9.589882       4.403749  
1 1 1 32 19 11 o 225.8910 2.048146  512.0518       6.537583  535.9674       13.07517  488.1363       13.07517  231.1846 2.827862  220.5974 2.963581  10.58722       4.096293  
1 1 1 32 19 12 o 79.65900 3.988734  64.21793       4.493397  64.71825       8.986794  63.71760       8.986794  79.97304 5.618640  79.34496 5.663116  0.6280823      7.977468  
1 1 1 32 19 13 o 38.19027 7.523082  15.78169       4.345681  10.80702       8.691362  20.75635       8.691362  32.73899 11.11440  43.64155 10.14185  -10.90255      15.04616  
1 1 1 32 19 14 o 89.11172 4.136409  81.29093       5.160498  94.30891       10.32100  68.27295       10.32100  96.41603 5.352323  81.80743 6.308104  14.60860       8.272819  
1 1 1 32 19 15 o 34.64261 7.133248  3.954952       5.560757  -21.29956      11.12151  29.20946       11.12151  18.04711 8.883738  51.23811 11.16298  -33.19099      14.26650  
1 1 1 32 19 16 o 24.52097 7.704237  -10.51159      6.113498  7.023612       12.22700  -28.04680      12.22700  31.32159 12.63911  17.72034 8.813285  13.60125       15.40847  
1 1 1 32 19 17 o 78.07163 6.470308  65.79991       7.090323  74.42933       14.18065  57.17050       14.18065  83.59824 8.481427  72.54503 9.773685  11.05321       12.94062  
1 1 1 32 19 18 o 25.56423 11.81738  -6.184973      14.24736  -6.184973      14.24736  ?              ?         25.56423 11.81738  ?        ?         ?              ?         
1 1 1 32 20 0  o 164.2197 3.543627  270.2709       11.62661  270.2709       11.62661  270.2709       11.62661  164.2197 3.543627  164.2197 3.543627  0.000000       0.000000  
1 1 1 32 20 1  o 88.34682 2.348814  78.65588       2.906651  66.18587       5.813303  91.12590       5.813303  81.28940 3.575683  95.40424 3.046669  -14.11485      4.697627  
1 1 1 32 20 2  o 99.44656 2.263331  99.22163       3.173491  108.1084       6.346982  90.33491       6.346982  103.9147 3.053940  94.97847 3.341274  8.936195       4.526661  
1 1 1 32 20 3  o 87.66917 2.525260  77.53612       3.097251  90.57316       6.194502  64.49906       6.194502  95.10454 3.256681  80.23381 3.860282  14.87073       5.050520  
1 1 1 32 20 4  o 146.0634 1.864875  213.6389       3.850122  205.5908       7.700243  221.6870       7.700243  143.3084 2.686599  148.8184 2.587127  -5.509995      3.729751  
1 1 1 32 20 5  o 40.53002 5.588356  17.38272       3.106781  23.89172       6.213562  10.87373       6.213562  48.72153 6.376609  32.33852 9.179201  16.38301       11.17671  
1 1 1 32 20 6  o 209.7553 1.827725  441.9920       5.393982  493.4540       10.78796  390.5300       10.78796  222.0225 2.429476  197.4882 2.731294  24.53430       3.655450  
1 1 1 32 20 7  o 89.93697 2.748025  81.69119       3.459391  95.09038       6.918783  68.29200       6.918783  97.38618 3.552240  82.48776 4.193824  14.89842       5.496050  
1 1 1 32 20 8  o 26.69911 7.016881  5.332037       3.621402  2.544511       7.242803  8.119563       7.242803  23.94578 9.700883  29.45243 10.14097  -5.506647      14.03376  
1 1 1 32 20 9  o 119.0572 2.464495  142.5641       4.136022  155.7774       8.272044  129.3507       8.272044  124.6063 3.319271  113.5080 3.643815  11.09832       4.928990  
1 1 1 32 20 10 o 100.9621 2.916772  102.6429       4.155082  94.67106       8.310163  110.6148       8.310163  97.01418 4.282963  104.9101 3.960613  -7.895882      5.833543  
1 1 1 32 20 11 o 48.60486 6.383090  26.91273       4.498162  48.74597       8.996324  5.079492       8.996324  69.28922 6.491864  27.92050 10.99232  41.36872       12.76618  
1 1 1 32 20 12 o 184.8476 2.172817  342.9753       5.679882  345.9868       11.35976  339.9638       11.35976  185.6622 3.059257  184.0330 3.086339  1.629166       4.345634  
1 1 1 32 20 13 o 64.03253 5.500730  42.39899       4.946072  48.03122       9.892144  36.76675       9.892144  68.43048 7.227879  59.63459 8.293965  8.795895       11.00146  
1 1 1 32 20 14 o 50.03704 7.301463  28.08015       5.255797  44.19063       10.51159  11.96968       10.51159  65.37595 8.039344  34.69813 12.19075  30.67782       14.60293  
1 1 1 32 20 15 o 60.94988 6.531523  39.26361       5.622702  37.09077       11.24540  41.43645       11.24540  59.16740 9.503040  62.73236 8.963001  -3.564957      13.06305  
1 1 1 32 20 16 o 86.23413 5.103484  77.39317       6.223093  76.03036       12.44619  78.75596       12.44619  85.44396 7.283245  87.02430 7.150983  -1.580338      10.20697  
1 1 1 32 20 17 o 22.06270 7.504479  -20.78017      7.118913  -6.470873      14.23783  -35.08947      14.23783  25.75691 11.87092  18.36849 9.184235  7.388416       15.00896  
1 1 1 32 20 18 o 29.68459 13.19013  3.192551       15.77216  3.192551       15.77216  ?              ?         29.68459 13.19013  ?        ?         ?              ?         
1 1 1 32 21 0  o 174.9871 3.365756  306.7708       11.76956  306.7708       11.76956  306.7708       11.76956  174.9871 3.365756  174.9871 3.365756  0.000000       0.000000  
1 1 1 32 21 1  o 169.8681 1.720997  290.0314       4.107431  251.9638       8.214863  328.0990       8.214863  158.6630 2.588777  181.0731 2.268383  -22.41011      3.441994  
1 1 1 32 21 2  o 100.3850 2.162164  100.9227       3.068661  103.6960       6.137322  98.14951       6.137322  101.7663 3.015402  99.00367 3.099543  2.762589       4.324328  
1 1 1 32 21 3  o 213.1393 1.743564  454.9624       5.251032  433.2625       10.50206  476.6622       10.50206  208.0487 2.523944  218.2298 2.406194  -10.18108      3.487128  
1 1 1 32 21 4  o 169.7657 1.871672  288.5352       4.493397  291.7039       8.986794  285.3664       8.986794  170.6989 2.632352  168.8324 2.661454  1.866531       3.743343  
1 1 1 32 21 5  o 140.5777 2.024348  197.9954       4.021661  206.6295       8.043323  189.3612       8.043323  143.6486 2.799652  137.5067 2.924703  6.141937       4.048696  
1 1 1 32 21 6  o 68.37094 3.665825  47.03534       3.540397  49.64180       7.080793  44.42888       7.080793  70.27706 5.037770  66.46483 5.326722  3.812233       7.331650  
1 1 1 32 21 7  o 303.2332 2.065626  921.1607       8.858138  923.4003       17.71628  918.9211       17.71628  303.6024 2.917677  302.8639 2.924792  0.7385559      4.131252  
1 1 1 32 21 8  o 210.2157 2.048428  442.8879       6.089673  440.0194       12.17935  445.7564       12.17935  209.5334 2.906301  210.8980 2.887496  -1.364563      4.096855  
1 1 1 32 21 9  o 139.7652 2.313888  196.0798       4.569637  205.4478       9.139274  186.7118       9.139274  143.1165 3.192948  136.4139 3.349833  6.702667       4.627775  
1 1 1 32 21 10 o 24.55146 6.699259  0.7624003      3.859652  9.739664       7.719304  -8.214863      7.719304  31.34478 10.47443  17.75814 8.355034  13.58664       13.39852  
1 1 1 32 21 11 o 98.85274 3.040309  98.47353       4.245616  103.7817       8.491233  93.16531       8.491233  101.5376 4.181323  96.16783 4.414799  5.369812       6.080618  
1 1 1 32 21 12 o 48.82924 7.427144  25.78819       5.098552  32.59261       10.19710  18.98377       10.19710  56.03106 9.099511  41.62742 11.74090  14.40364       14.85429  
1 1 1 32 21 13 o 85.87415 4.155767  75.03925       5.041372  71.03665       10.08274  79.04185       10.08274  83.54365 6.034417  88.20466 5.715540  -4.661011      8.311534  
1 1 1 32 21 14 o 44.57762 7.128971  21.27573       5.193852  3.345031       10.38770  39.20644       10.38770  27.73365 11.47971  61.42160 8.456068  -33.68795      14.25794  
1 1 1 32 21 15 o 73.67328 5.979569  57.14190       6.170677  65.81420       12.34135  48.46960       12.34135  79.55893 7.756109  67.78764 9.102954  11.77129       11.95914  
1 1 1 32 21 16 o 67.82128 7.561742  51.50014       6.899723  63.49841       13.79945  39.50187       13.79945  77.14689 8.943619  58.49567 12.19555  18.65122       15.12348  
1 1 1 32 21 17 o 23.78415 11.16818  -10.05415      13.64697  -10.05415      13.64697  ?              ?         23.78415 11.16818  ?        ?         ?              ?         
1 1 1 32 22 0  o 117.1294 3.915016  137.8134       9.148804  137.8134       9.148804  137.8134       9.148804  117.1294 3.915016  117.1294 3.915016  0.000000       0.000000  
1 1 1 32 22 1  o 207.4498 1.756952  432.0237       5.131907  385.4410       10.26381  478.6063       10.26381  196.2224 2.615353  218.6773 2.346795  -22.45491      3.513903  
1 1 1 32 22 2  o 128.7014 2.103919  166.7846       3.797706  191.4196       7.595412  142.1495       7.595412  138.2720 2.746548  119.1307 3.187847  19.14126       4.207837  
1 1 1 32 22 3  o 58.24806 3.775895  34.14601       3.102016  37.02407       6.204032  31.26794       6.204032  60.71858 5.108842  55.77754 5.561408  4.941040       7.551789  
1 1 1 32 22 4  o 193.1843 1.780451  373.8192       4.860302  391.2067       9.720604  356.4317       9.720604  197.6846 2.458615  188.6841 2.575894  9.000458       3.560901  
1 1 1 32 22 5  o 115.6410 2.314978  134.2968       3.773881  121.9650       7.547763  146.6286       7.547763  110.3091 3.421189  120.9729 3.119608  -10.66388      4.629956  
1 1 1 32 22 6  o 51.47879 4.935519  26.77454       3.592812  27.19863       7.185624  26.35046       7.185624  51.89069 6.923808  51.06689 7.035501  0.8237991      9.871037  
1 1 1 32 22 7  o 209.2354 1.911754  438.5994       5.656057  447.5576       11.31211  429.6411       11.31211  211.3761 2.675827  207.0947 2.731146  4.281403       3.823507  
1 1 1 32 22 8  o 134.0691 2.294053  180.5555       4.340917  193.6592       8.681833  167.4517       8.681833  138.9561 3.123949  129.1822 3.360306  9.773880       4.588106  
1 1 1 32 22 9  o 102.3598 2.868252  105.4400       4.145552  112.2063       8.291104  98.67366       8.291104  105.6649 3.923299  99.05463 4.185117  6.610306       5.736504  
1 1 1 32 22 10 o 57.02328 5.590292  34.41285       4.226557  24.16809       8.453114  44.65760       8.453114  47.70306 9.188004  66.34349 6.370718  -18.64043      11.18058  
1 1 1 32 22 11 o 208.2158 2.120076  435.5021       6.232623  464.1112       12.46525  406.8930       12.46525  215.0859 2.897737  201.3458 3.095482  13.74011       4.240152  
1 1 1 32 22 12 o 225.3059 2.277495  510.4794       7.252333  531.0403       14.50467  489.9184       14.50467  229.8688 3.154988  220.7430 3.285419  9.125809       4.554989  
1 1 1 32 22 13 o 138.4129 2.893208  193.2732       5.660822  186.7023       11.32164  199.8442       11.32164  136.0392 4.161170  140.7866 4.020854  -4.747345      5.786416  
1 1 1 32 22 14 o 77.78207 4.998444  62.86944       5.422573  51.24283       10.84515  74.49604       10.84515  70.30824 7.712570  85.25591 6.360348  -14.94767      9.996887  
1 1 1 32 22 15 o 135.9910 3.424757  188.2223       6.585233  192.4203       13.17047  184.0244       13.17047  137.5345 4.788058  134.4476 4.897993  3.086945       6.849514  
1 1 1 32 22 16 o 92.03426 5.717135  89.97753       7.395282  79.09904       14.79056  100.8560       14.79056  86.12422 8.586762  97.94428 7.550500  -11.82006      11.43427  
1 1 1 32 22 17 o 30.68508 13.25875  3.859652       14.89540  3.859652       14.89540  ?              ?         30.68508 13.25875  ?        ?         ?              ?         
1 1 1 32 23 0  f 30.27408 13.77147  13.50401       8.967733  13.50401       8.967733  13.50401       8.967733  30.27408 13.77147  30.27408 13.77147  0.000000       0.000000  
1 1 1 32 23 1  o 61.57656 3.420854  38.19149       2.963831  42.60865       5.927662  33.77433       5.927662  65.16328 4.548315  57.98984 5.110950  7.173435       6.841709  
1 1 1 32 23 2  o 182.9688 1.880421  335.2131       4.865067  341.5458       9.730133  328.8804       9.730133  184.6993 2.634047  181.2383 2.684349  3.461075       3.760842  
1 1 1 32 23 3  o 99.66799 2.564763  100.5082       3.564222  119.8017       7.128443  81.21470       7.128443  109.3469 3.259555  89.98911 3.960725  19.35776       5.129527  
1 1 1 32 23 4  o 45.54884 5.574522  23.80118       3.430801  5.765652       6.861602  41.83672       6.861602  26.60136 9.798236  64.49632 5.319376  -37.89496      11.14904  
1 1 1 32 23 5  o 35.36572 6.559127  13.19905       3.325971  14.10441       6.651943  12.29370       6.651943  36.52411 9.123361  34.20732 9.426181  2.316784       13.11825  
1 1 1 32 23 6  o 188.1771 1.937381  354.7115       5.155732  352.4958       10.31146  356.9272       10.31146  187.5883 2.748429  188.7658 2.731285  -1.177475      3.874762  
1 1 1 32 23 7  f 153.8840 2.221771  237.9022       4.822182  257.9200       9.644363  217.8845       9.644363  160.3882 3.006570  147.3798 3.271942  13.00835       4.443542  
1 1 1 32 23 8  o 114.6351 2.535710  131.9906       4.107431  138.1851       8.214863  125.7961       8.214863  117.3370 3.500544  111.9333 3.669535  5.403656       5.071419  
1 1 1 32 23 9  o 100.2734 3.100556  101.2801       4.393332  105.9165       8.786663  96.64377       8.786663  102.5853 4.282615  97.96156 4.484751  4.623703       6.201112  
1 1 1 32 23 10 o 43.05991 7.207510  20.01777       4.326622  21.54734       8.653244  18.48821       8.653244  44.75991 9.928425  41.35991 10.45080  3.399994       14.41502  
1 1 1 32 23 11 o 90.06943 3.975724  82.83480       5.008017  96.81532       10.01603  68.85428       10.01603  97.83039 5.119081  82.30846 6.084450  15.52193       7.951448  
1 1 1 32 23 12 o 140.1017 2.902203  197.9715       5.746593  189.8949       11.49319  206.0482       11.49319  137.2192 4.187891  142.9841 4.019043  -5.764862      5.804407  
1 1 1 32 23 13 o 87.56842 4.142519  78.91797       5.041372  95.44299       10.08274  62.39294       10.08274  97.00391 5.197081  78.13293 6.452302  18.87099       8.285037  
1 1 1 32 23 14 o 69.15572 6.007877  50.41849       5.808537  58.79060       11.61707  42.04638       11.61707  75.20880 7.723216  63.10262 9.204906  12.10618       12.01575  
1 1 1 32 23 15 o 74.93343 5.815379  59.13367       6.161148  60.57270       12.32230  57.69464       12.32230  75.89364 8.118134  73.97323 8.328889  1.920410       11.63076  
1 1 1 32 23 16 o 38.77118 9.281864  16.38208       6.504228  7.014082       13.00846  25.75007       13.00846  31.41922 12.90616  46.12313 13.34328  -14.70392      18.56373  
1 1 1 32 23 17 o 25.36590 11.93789  -9.949325      15.78169  -9.949325      15.78169  ?              ?         25.36590 11.93789  ?        ?         ?              ?         
1 1 1 32 24 0  o 192.5764 3.575704  371.6892       13.76132  371.6892       13.76132  371.6892       13.76132  192.5764 3.575704  192.5764 3.575704  0.000000       0.000000  
1 1 1 32 24 1  o 140.1061 1.909919  196.6040       3.783412  191.6579       7.566823  201.5500       7.566823  138.3410 2.734844  141.8712 2.666792  -3.530228      3.819837  
1 1 1 32 24 2  o 132.8732 2.035519  177.2438       3.812001  194.0404       7.624003  160.4471       7.624003  139.1938 2.738629  126.5527 3.012185  12.64109       4.071038  
1 1 1 32 24 3  o 91.52735 2.962142  86.14648       3.692876  59.69595       7.385753  112.5970       7.385753  77.07783 4.791101  105.9769 3.484606  -28.89905      5.924283  
1 1 1 32 24 4  o 265.0118 1.928135  704.8105       7.204682  767.6132       14.40936  642.0078       14.40936  276.8609 2.602276  253.1628 2.845870  23.69810       3.856270  
1 1 1 32 24 5  o 128.6644 2.352390  166.4844       4.259912  185.1966       8.519823  147.7722       8.519823  135.9361 3.133762  121.3927 3.509201  14.54340       4.704780  
1 1 1 32 24 6  o 99.80070 2.903459  100.0746       4.097902  99.66479       8.195804  100.4844       8.195804  99.59540 4.114549  100.0060 4.097656  -0.4106064     5.806918  
1 1 1 32 24 7  o 88.34304 3.501973  80.42847       4.221792  104.4584       8.443583  56.39856       8.443583  101.9434 4.141310  74.74270 5.648434  27.20068       7.003945  
1 1 1 32 24 8  o 129.9812 2.541583  169.8676       4.664937  180.5745       9.329873  159.1606       9.329873  134.0999 3.478704  125.8626 3.706374  8.237305       5.083167  
1 1 1 32 24 9  o 47.82137 6.396048  24.63506       4.159847  33.50750       8.319694  15.76263       8.319694  57.33561 7.255259  38.30712 10.53560  19.02849       12.79210  
1 1 1 32 24 10 o 53.02565 5.801725  28.84732       4.350447  29.19040       8.700893  28.50424       8.700893  53.34915 8.154670  52.70214 8.254782  0.6470032      11.60345  
1 1 1 32 24 11 o 126.4439 3.058461  161.8147       5.446397  144.9799       10.89279  178.6495       10.89279  119.7869 4.546740  133.1009 4.091932  -13.31401      6.116923  
1 1 1 32 24 12 o 119.8932 3.295394  146.0711       5.541698  124.7859       11.08340  167.3564       11.08340  111.0165 4.991778  128.7700 4.303562  -17.75350      6.590789  
1 1 1 32 24 13 o 62.54638 5.634265  40.56923       4.979427  38.69181       9.958854  42.44664       9.958854  61.04556 8.156902  64.04720 7.774621  -3.001633      11.26853  
1 1 1 32 24 14 o 45.59219 7.077642  19.96059       6.123027  48.36477       12.24605  -8.443583      12.24605  67.71281 9.042643  23.47157 10.89049  44.24125       14.15528  
1 1 1 32 24 15 o 39.58384 9.312386  17.50185       6.299332  23.57723       12.59866  11.42647       12.59866  44.69019 13.19711  34.47748 13.14223  10.21271       18.62477  
1 1 1 32 24 16 o 46.44184 14.25467  27.06521       14.50467  27.06521       14.50467  ?              ?         46.44184 14.25467  ?        ?         ?              ?         
1 1 1 32 25 0  o 142.8128 4.007482  204.7807       11.42647  204.7807       11.42647  204.7807       11.42647  142.8128 4.007482  142.8128 4.007482  0.000000       0.000000  
1 1 1 32 25 1  o 125.1013 2.098248  157.0687       3.702406  143.9221       7.404812  170.2154       7.404812  119.8469 3.089281  130.3557 2.840235  -10.50881      4.196497  
1 1 1 32 25 2  o 261.2921 1.944656  683.8445       7.185624  691.3446       14.37125  676.3444       14.37125  262.7273 2.735012  259.8569 2.765223  2.870392       3.889312  
1 1 1 32 25 3  o 195.4500 1.908067  382.7917       5.270092  399.8885       10.54018  365.6949       10.54018  199.8237 2.637370  191.0763 2.758108  8.747406       3.816135  
1 1 1 32 25 4  o 132.0824 2.258816  175.0709       4.212262  186.7118       8.424523  163.4300       8.424523  136.4890 3.086154  127.6757 3.299189  8.813370       4.517632  
1 1 1 32 25 5  o 124.1648 2.509030  155.0055       4.393332  168.3761       8.786663  141.6349       8.786663  129.5490 3.391250  118.7806 3.698695  10.76843       5.018060  
1 1 1 32 25 6  o 158.0959 2.178547  250.6915       4.869832  244.8639       9.739664  256.5191       9.739664  156.2529 3.116636  159.9390 3.044806  -3.686111      4.357093  
1 1 1 32 25 7  o 185.7253 2.062849  346.1154       5.413042  363.4648       10.82608  328.7661       10.82608  190.3960 2.843044  181.0546 2.989729  9.341400       4.125698  
1 1 1 32 25 8  f 195.8774 2.116250  385.3648       5.851423  412.3347       11.70285  358.3948       11.70285  202.7618 2.885861  188.9930 3.096105  13.76878       4.232500  
1 1 1 32 25 9  f 57.54375 5.685213  33.94111       4.622052  35.63268       9.244103  32.24953       9.244103  59.01357 7.832185  56.07394 8.242782  2.939636       11.37043  
1 1 1 32 25 10 o 149.8741 2.648428  226.5520       5.594112  205.0094       11.18822  248.0946       11.18822  142.6872 3.920542  157.0610 3.561745  -14.37379      5.296855  
1 1 1 32 25 11 o 44.10342 8.173250  21.47110       5.255797  15.99135       10.51159  26.95085       10.51159  38.58248 12.19260  49.62436 10.88801  -11.04187      16.34650  
1 1 1 32 25 12 o 91.96797 4.290163  86.21794       5.579817  86.70397       11.15963  85.73191       11.15963  92.23222 6.049749  91.70374 6.084613  0.5284805      8.580325  
1 1 1 32 25 13 o 103.0735 4.108058  108.7087       5.975312  100.6464       11.95062  116.7711       11.95062  99.16255 6.025775  106.9845 5.585212  -7.821968      8.216116  
1 1 1 32 25 14 o 41.49511 8.494986  18.24519       6.170677  33.36454       12.34135  3.125841       12.34135  54.03945 11.74716  28.95077 12.27450  25.08868       16.98997  
1 1 1 32 25 15 o 55.20996 8.201450  36.25214       6.656708  14.89540       13.31342  57.60888       13.31342  37.19444 13.65336  73.22549 9.090698  -36.03105      16.40290  
1 1 1 32 25 16 o 76.59227 6.728440  64.36088       7.271393  59.77219       14.54279  68.94958       14.54279  73.59674 9.880049  79.58781 9.136316  -5.991066      13.45688  
1 1 1 32 26 0  o 84.93373 5.834332  73.41915       9.815904  73.41915       9.815904  73.41915       9.815904  84.93373 5.834332  84.93373 5.834332  0.000000       0.000000  
1 1 1 32 26 1  o 140.9819 2.082691  199.3629       4.145552  212.5858       8.291104  186.1400       8.291104  145.6715 2.845823  136.2923 3.041662  9.379135       4.165383  
1 1 1 32 26 2  o 119.7981 2.359541  143.9984       3.993072  151.8320       7.986144  136.1647       7.986144  123.0676 3.244617  116.5285 3.426690  6.539047       4.719083  
1 1 1 32 26 3  o 133.1438 2.204302  177.7298       4.150317  179.9551       8.300633  175.5045       8.300633  133.9794 3.097727  132.3081 3.136858  1.671326       4.408604  
1 1 1 32 26 4  f 192.0465 2.009078  369.7260       5.455927  376.1588       10.91185  363.2933       10.91185  193.7213 2.816380  190.3717 2.865934  3.349579       4.018155  
1 1 1 32 26 5  o 195.1470 2.103462  382.1007       5.799007  402.2900       11.59801  361.9115       11.59801  200.3198 2.894875  189.9741 3.052525  10.34569       4.206923  
1 1 1 32 26 6  o 62.91790 5.320437  43.13280       4.169377  63.06004       8.338754  23.20556       8.338754  79.05773 5.273838  46.77806 9.242015  32.27967       10.64087  
1 1 1 32 26 7  o 37.24987 6.444084  13.28959       4.202732  27.06521       8.405463  -0.4860302     8.405463  51.42320 8.172832  23.07655 9.965424  28.34665       12.88817  
1 1 1 32 26 8  o 91.30257 3.671908  84.32146       4.731647  78.20321       9.463295  90.43974       9.463295  87.95203 5.379805  94.65311 4.998934  -6.701088      7.343816  
1 1 1 32 26 9  o 143.1967 2.744750  206.3579       5.555993  213.3482       11.11199  199.3677       11.11199  145.6375 3.814946  140.7560 3.947252  4.881561       5.489500  
1 1 1 32 26 10 f 108.4433 3.446317  119.0155       5.284387  116.4376       10.56877  121.5933       10.56877  107.2547 4.926952  109.6319 4.820120  -2.377167      6.892634  
1 1 1 32 26 11 o 194.9395 2.441636  382.5772       6.723418  403.7482       13.44684  361.4063       13.44684  200.3696 3.355508  189.5093 3.547803  10.86026       4.883272  
1 1 1 32 26 12 o 23.28173 7.405396  -16.49167      6.013433  -38.73947      12.02687  5.756122       12.02687  15.72636 7.948245  30.83709 12.49740  -15.11073      14.81079  
1 1 1 32 26 13 o 94.63372 4.363704  91.83112       5.837128  95.09991       11.67426  88.56232       11.67426  96.36079 6.057575  92.90665 6.282788  3.454147       8.727407  
1 1 1 32 26 14 o 38.23644 9.206464  16.18671       5.975312  15.05741       11.95062  17.31602       11.95062  37.25390 13.00703  39.21899 13.03277  -1.965088      18.41293  
1 1 1 32 26 15 o 36.10199 9.611010  13.36583       6.842543  18.66928       13.68509  8.062383       13.68509  39.82460 13.91758  32.37939 13.25847  7.445210       19.22202  
1 1 1 32 26 16 o 54.96222 9.500109  39.06825       7.538233  27.53218       15.07647  50.60432       15.07647  45.37434 14.62886  64.55009 12.12454  -19.17574      19.00022  
1 1 1 32 27 0  o 32.58894 14.41202  15.63874       9.815904  15.63874       9.815904  15.63874       9.815904  32.58894 14.41202  32.58894 14.41202  0.000000       0.000000  
1 1 1 32 27 1  o 33.31479 6.604022  11.15010       3.573751  18.39291       7.147503  3.907302       7.147503  41.65880 8.845771  24.97077 9.808402  16.68802       13.20804  
1 1 1 32 27 2  o 59.04059 4.563459  35.44685       3.783412  40.23568       7.566823  30.65802       7.566823  63.09613 5.996266  54.98505 6.880801  8.111080       9.126918  
1 1 1 32 27 3  o 38.02541 6.961943  15.43861       3.778647  14.62856       7.557293  16.24866       7.557293  37.05302 9.975416  38.99780 9.714198  -1.944786      13.92389  
1 1 1 32 27 4  o 125.7936 2.456148  159.8372       4.326622  185.4729       8.653244  134.2015       8.653244  135.9832 3.181733  115.6040 3.742622  20.37918       4.912295  
1 1 1 32 27 5  o 197.1613 2.137926  389.8963       5.961017  387.0421       11.92203  392.7505       11.92203  196.4374 3.034563  197.8851 3.012363  -1.447693      4.275851  
1 1 1 32 27 6  o 135.1135 2.621823  183.8242       4.993722  200.7019       9.987444  166.9466       9.987444  141.3592 3.532648  128.8677 3.875076  12.49146       5.243645  
1 1 1 32 27 7  o 69.63715 4.548358  49.31300       4.469572  45.62013       8.939144  53.00588       8.939144  66.98563 6.672434  72.28866 6.182951  -5.303024      9.096717  
1 1 1 32 27 8  o 49.65408 6.652938  25.98355       4.569637  28.64719       9.139274  23.31992       9.139274  52.76881 8.659730  46.53935 10.10225  6.229465       13.30588  
1 1 1 32 27 9  o 135.4717 2.823360  184.9726       5.408277  181.1463       10.81655  188.7989       10.81655  134.0595 4.034238  136.8839 3.950996  -2.824417      5.646720  
1 1 1 32 27 10 o 56.74633 6.682826  34.88458       5.065197  24.02514       10.13039  45.74401       10.13039  46.78704 10.99916  66.70561 7.593360  -19.91857      13.36565  
1 1 1 32 27 11 o 141.4479 3.108175  203.3894       6.156383  235.8485       12.31277  170.9301       12.31277  152.9218 4.025838  129.9740 4.736628  22.94783       6.216351  
1 1 1 32 27 12 o 130.8111 3.169683  173.3841       5.860952  167.2802       11.72190  179.4881       11.72190  128.4780 4.561834  133.1442 4.401958  -4.666260      6.339366  
1 1 1 32 27 13 f 83.22505 6.288162  79.23721       6.242152  120.8690       12.48430  37.60540       12.48430  108.5785 5.748978  57.87162 11.18540  50.70686       12.57632  
1 1 1 32 27 14 f 72.82600 6.565172  57.72324       6.618587  45.07692       13.23717  70.36955       13.23717  64.14345 10.31842  81.50856 8.120113  -17.36511      13.13034  
1 1 1 32 27 15 o 82.12410 6.758516  74.03383       7.805074  82.32017       15.61015  65.74750       15.61015  87.16911 8.953944  77.07909 10.12606  10.09002       13.51703  
1 1 1 32 28 0  o 24.49128 13.92314  8.357814       10.45441  8.357814       10.45441  8.357814       10.45441  24.49128 13.92314  24.49128 13.92314  0.000000       0.000000  
1 1 1 32 28 1  o 138.2999 2.115892  191.8533       4.136022  184.3960       8.272044  199.3105       8.272044  135.6039 3.050076  140.9960 2.933433  -5.392075      4.231783  
1 1 1 32 28 2  o 60.99204 4.618806  38.63464       3.826297  50.81398       7.652593  26.45529       7.652593  70.97641 5.390941  51.00767 7.501415  19.96874       9.237613  
1 1 1 32 28 3  o 62.86655 4.659079  40.35956       4.093137  33.31689       8.186274  47.40224       8.186274  57.26527 7.147678  68.46783 5.978189  -11.20257      9.318157  
1 1 1 32 28 4  o 85.87552 3.541647  76.08755       4.150317  53.37755       8.300633  98.79755       8.300633  72.65289 5.712528  99.09814 4.188087  -26.44524      7.083294  
1 1 1 32 28 5  o 171.7366 2.289825  296.2116       5.555993  311.1642       11.11199  281.2590       11.11199  176.0900 3.155201  167.3833 3.319324  8.706711       4.579651  
1 1 1 32 28 6  o 60.22646 5.335917  37.49580       4.455277  45.83932       8.910554  29.15228       8.910554  67.15324 6.634492  53.29967 8.358920  13.85357       10.67183  
1 1 1 32 28 7  o 54.56893 6.357880  31.54431       4.698292  24.37775       9.396584  38.71087       9.396584  47.59587 10.16898  61.54199 7.634286  -13.94612      12.71576  
1 1 1 32 28 8  o 141.6697 2.812540  202.8890       5.603642  227.3478       11.20728  178.4303       11.20728  150.3020 3.728256  133.0374 4.212081  17.26463       5.625080  
1 1 1 32 28 9  o 172.6468 2.680215  300.2142       6.542348  292.4854       13.08470  307.9430       13.08470  170.4084 3.839216  174.8851 3.740940  -4.476685      5.360430  
1 1 1 32 28 10 o 75.97456 5.366260  60.87290       5.532167  41.75095       11.06433  79.99486       11.06433  63.39013 8.727175  88.55901 6.246871  -25.16888      10.73252  
1 1 1 32 28 11 o 59.06028 7.709001  38.22961       6.199268  37.86271       12.39854  38.59651       12.39854  58.74770 10.96008  59.37287 10.84396  -0.6251755     15.41800  
1 1 1 32 28 12 o 71.18635 5.825003  52.95824       5.860952  54.90235       11.72190  51.01411       11.72190  72.55186 8.078293  69.82083 8.394275  2.731033       11.65001  
1 1 1 32 28 13 o 29.25016 8.828063  1.877411       6.589998  -3.345031      13.18000  7.099854       13.18000  26.44166 11.89270  32.05867 13.05000  -5.617018      17.65613  
1 1 1 32 28 14 f 83.51967 6.099817  74.67712       7.204682  75.08691       14.40936  74.26732       14.40936  83.76499 8.601068  83.27434 8.651745  0.4906540      12.19963  
1 1 1 32 28 15 o 61.56490 8.697142  45.54389       7.400048  34.44143       14.80010  56.64635       14.80010  52.16186 13.92237  70.96795 10.42731  -18.80609      17.39428  
1 1 1 32 29 0  o 65.60210 8.871552  44.61948       11.48365  44.61948       11.48365  44.61948       11.48365  65.60210 8.871552  65.60210 8.871552  0.000000       0.000000  
1 1 1 32 29 1  o 127.5008 2.435539  163.4062       4.383801  174.5992       8.767603  152.2132       8.767603  131.8902 3.323826  123.1115 3.560840  8.778755       4.871078  
1 1 1 32 29 2  o 79.11237 3.701053  63.18392       4.140787  62.97426       8.281574  63.39359       8.281574  78.97986 5.242839  79.24487 5.225306  -0.2650146     7.402107  
1 1 1 32 29 3  o 61.39096 5.004930  39.30650       4.174142  51.61450       8.348284  26.99850       8.348284  71.41525 5.844889  51.36668 8.126165  20.04856       10.00986  
1 1 1 32 29 4  o 77.31313 4.031690  60.47264       4.407627  59.41957       8.815253  61.52570       8.815253  76.63210 5.751672  77.99417 5.651226  -1.362076      8.063379  
1 1 1 32 29 5  o 82.90623 3.951788  69.74533       4.612522  77.27880       9.225043  62.21186       9.225043  87.44959 5.274492  78.36286 5.886107  9.086731       7.903577  
1 1 1 32 29 6  o 169.8712 2.402489  290.0218       5.765652  274.8930       11.53130  305.1507       11.53130  165.4181 3.485502  174.3242 3.307431  -8.906097      4.804979  
1 1 1 32 29 7  o 191.7621 2.363410  369.7546       6.404162  386.9086       12.80832  352.6006       12.80832  196.2348 3.263520  187.2894 3.419395  8.945465       4.726820  
1 1 1 32 29 8  o 100.3997 3.830423  102.2951       5.436867  105.3065       10.87373  99.28359       10.87373  101.8994 5.335523  98.89994 5.497341  2.999496       7.660846  
1 1 1 32 29 9  o 81.63660 4.621753  68.12999       5.327272  63.75573       10.65454  72.50426       10.65454  78.95749 6.747014  84.31570 6.318244  -5.358215      9.243506  
1 1 1 32 29 10 o 77.22146 5.580457  62.50253       5.946723  77.72671       11.89345  47.27835       11.89345  87.07893 6.829117  67.36398 8.827748  19.71495       11.16091  
1 1 1 32 29 11 o 153.6864 3.150911  239.2936       6.847308  244.0730       13.69462  234.5143       13.69462  155.2413 4.410752  152.1315 4.500914  3.109756       6.301823  
1 1 1 32 29 12 o 72.87975 6.196135  56.54152       6.327922  64.84215       12.65584  48.24088       12.65584  78.57450 8.053405  67.18501 9.418653  11.38950       12.39227  
1 1 1 32 29 13 o 79.46960 5.653511  66.77674       6.351747  68.63509       12.70349  64.91839       12.70349  80.63882 7.876786  78.30038 8.112027  2.338448       11.30702  
1 1 1 32 29 14 o 55.28646 8.971811  37.09554       7.309513  21.81418       14.61903  52.37690       14.61903  42.17137 14.41455  68.40155 10.68618  -26.23018      17.94362  
1 1 1 32 29 15 o 41.03745 15.08565  24.85425       16.25819  24.85425       16.25819  ?              ?         41.03745 15.08565  ?        ?         ?              ?         
1 1 1 32 30 0  o 179.2404 4.304212  322.8766       15.41002  322.8766       15.41002  322.8766       15.41002  179.2404 4.304212  179.2404 4.304212  0.000000       0.000000  
1 1 1 32 30 1  o 106.9890 2.906976  115.5656       4.374272  101.7042       8.748544  129.4270       8.748544  100.5110 4.352033  113.4669 3.855108  -12.95590      5.813952  
1 1 1 32 30 2  o 75.48685 3.957232  58.36175       4.140787  71.51315       8.281574  45.21034       8.281574  84.19790 4.917922  66.77579 6.201031  17.42211       7.914464  
1 1 1 32 30 3  o 54.85350 6.130897  33.20729       4.312327  48.89845       8.624654  17.51615       8.624654  69.42751 6.211265  40.27948 10.57222  29.14803       12.26179  
1 1 1 32 30 4  o 94.08980 3.443471  89.35809       4.579167  85.77003       9.158334  92.94612       9.158334  92.18308 4.967470  95.99651 4.770139  -3.813431      6.886942  
1 1 1 32 30 5  o 142.0990 2.786183  203.1368       5.598877  205.0571       11.19775  201.2165       11.19775  142.7747 3.921477  141.4233 3.958949  1.351379       5.572365  
1 1 1 32 30 6  o 130.1748 2.889430  171.2590       5.293917  190.3904       10.58783  152.1275       10.58783  137.5232 3.849472  122.8265 4.310079  14.69676       5.778859  
1 1 1 32 30 7  o 47.52235 7.855464  25.02102       5.265327  17.99265       10.53065  32.04940       10.53065  40.54303 12.08681  54.50168 10.03705  -13.95865      15.71093  
1 1 1 32 30 8  o 63.18620 6.699520  43.36152       5.570287  28.99027       11.14057  57.73276       11.14057  51.39963 11.15048  74.97278 7.429746  -23.57315      13.39904  
1 1 1 32 30 9  o 119.1653 3.608567  143.9698       6.080142  140.7105       12.16028  147.2290       12.16028  117.7977 5.161510  120.5328 5.044387  -2.735077      7.217134  
1 1 1 32 30 10 o 154.5315 3.023321  241.5761       6.604293  249.7338       13.20859  233.4184       13.20859  157.1710 4.201979  151.8921 4.348018  5.278961       6.046643  
1 1 1 32 30 11 o 107.9073 4.374061  120.8738       6.542348  147.7818       13.08470  93.96584       13.08470  120.3754 5.434955  95.43921 6.854990  24.93619       8.748121  
1 1 1 32 30 12 o 53.34439 8.692725  32.84993       6.427987  32.44966       12.85597  33.25018       12.85597  52.98209 12.34904  53.70668 12.23745  -0.7245865     17.38545  
1 1 1 32 30 13 o 23.73769 11.32312  -14.38078      14.81916  -14.38078      14.81916  ?              ?         23.73769 11.32312  ?        ?         ?              ?         
1 1 1 32 30 14 o 21.10596 10.37250  -24.68271      15.05741  -24.68271      15.05741  ?              ?         21.10596 10.37250  ?        ?         ?              ?         
1 1 1 32 31 0  o 128.7491 5.042759  167.3183       12.94175  167.3183       12.94175  167.3183       12.94175  128.7491 5.042759  128.7491 5.042759  0.000000       0.000000  
1 1 1 32 31 1  o 99.93789 3.182658  100.6416       4.498162  100.5701       8.996324  100.7131       8.996324  99.90212 4.502569  99.97366 4.499347  -0.7153320E-01 6.365316  
1 1 1 32 31 2  o 142.4743 2.480028  204.0183       4.993722  212.4905       9.987444  195.5461       9.987444  145.4475 3.433349  139.5011 3.579701  5.946457       4.960055  
1 1 1 32 31 3  o 108.9131 3.081630  119.6444       4.736412  110.7005       9.472824  128.5883       9.472824  104.8071 4.519170  113.0191 4.190807  -8.211975      6.163259  
1 1 1 32 31 4  o 40.01383 6.698810  15.92464       4.617287  31.72538       9.234573  0.1238900      9.234573  55.54289 8.313011  24.48477 10.50667  31.05812       13.39762  
1 1 1 32 31 5  o 156.1802 2.671507  245.6168       5.899073  252.0591       11.79815  239.1745       11.79815  158.2426 3.727865  154.1178 3.827640  4.124893       5.343015  
1 1 1 32 31 6  o 79.34612 5.072762  65.90951       5.498813  46.83044       10.99763  84.98857       10.99763  67.32343 8.167754  91.36880 6.018260  -24.04537      10.14552  
1 1 1 32 31 7  o 37.42632 8.502925  14.77151       5.165262  17.77346       10.33052  11.76956       10.33052  40.33792 11.96036  34.51472 12.08920  5.823196       17.00585  
1 1 1 32 31 8  o 35.50302 8.815235  12.22223       5.608407  7.728833       11.21681  16.71563       11.21681  31.66965 12.31979  39.33640 12.61175  -7.666746      17.63047  
1 1 1 32 31 9  f 61.82061 7.256672  41.79383       6.027727  30.64849       12.05545  52.93917       12.05545  52.35997 11.79529  71.28124 8.456261  -18.92127      14.51334  
1 1 1 32 31 10 o 78.62252 5.855604  65.78561       6.299332  47.47848       12.59866  84.09276       12.59866  66.98009 9.404783  90.26495 6.978714  -23.28485      11.71121  
1 1 1 32 31 11 o 53.34782 9.088546  33.40266       6.847308  40.17850       13.69462  26.62683       13.69462  59.31805 11.96286  47.37759 13.68563  11.94046       18.17709  
1 1 1 32 31 12 o 90.27577 5.516180  86.33231       6.985494  98.32104       13.97099  74.34356       13.97099  96.91584 7.207793  83.63570 8.352286  13.28014       11.03236  
1 1 1 32 31 13 o 64.87999 9.575023  51.41914       8.515059  58.08537       17.03012  44.75290       17.03012  69.98402 12.62907  59.77595 14.39552  10.20808       19.15005  
1 1 1 32 31 14 o 47.13391 14.92924  32.24000       15.75310  32.24000       15.75310  ?              ?         47.13391 14.92924  ?        ?         ?              ?         
1 1 1 32 32 0  o 21.30716 14.56237  -8.624654      18.45009  -8.624654      18.45009  -8.624654      18.45009  21.30716 14.56237  21.30716 14.56237  0.000000       0.000000  
1 1 1 32 32 1  o 28.20066 15.69125  11.83626       12.92269  11.83626       12.92269  11.83626       12.92269  28.20066 15.69125  28.20066 15.69125  0.000000       0.000000  
1 1 1 32 32 2  o 100.6627 6.993524  103.8294       13.94240  103.8294       13.94240  103.8294       13.94240  100.6627 6.993524  100.6627 6.993524  0.000000       0.000000  
1 1 1 32 32 3  o 44.20369 16.33827  27.20816       13.34200  27.20816       13.34200  27.20816       13.34200  44.20369 16.33827  44.20369 16.33827  0.000000       0.000000  
1 1 1 32 32 4  o 21.59420 13.90213  2.029891       13.35154  2.029891       13.35154  2.029891       13.35154  21.59420 13.90213  21.59420 13.90213  0.000000       0.000000  
1 1 1 32 32 5  o 48.34773 17.36874  32.37342       15.32425  32.37342       15.32425  32.37342       15.32425  48.34773 17.36874  48.34773 17.36874  0.000000       0.000000  
1 1 1 32 32 6  o 64.77046 13.52092  48.46960       15.43861  48.46960       15.43861  48.46960       15.43861  64.77046 13.52092  64.77046 13.52092  0.000000       0.000000  
1 1 1 32 32 7  o 38.21566 17.98346  23.00543       15.35284  23.00543       15.35284  23.00543       15.35284  38.21566 17.98346  38.21566 17.98346  0.000000       0.000000  
1 1 1 32 32 8  o 29.91305 17.04346  13.55167       15.70545  13.55167       15.70545  13.55167       15.70545  29.91305 17.04346  29.91305 17.04346  0.000000       0.000000  
1 1 1 32 32 9  o 82.09560 10.20380  70.34096       17.00153  70.34096       17.00153  70.34096       17.00153  82.09560 10.20380  82.09560 10.20380  0.000000       0.000000  
1 1 1 32 32 10 o 37.91310 20.15639  24.79707       20.42280  24.79707       20.42280  24.79707       20.42280  37.91310 20.15639  37.91310 20.15639  0.000000       0.000000  
1 1 1 32 32 11 o 78.79683 14.85217  72.69487       21.05178  72.69487       21.05178  72.69487       21.05178  78.79683 14.85217  78.79683 14.85217  0.000000       0.000000  
1 1 1 32 32 12 o 32.26567 19.04510  17.48756       20.63246  17.48756       20.63246  17.48756       20.63246  32.26567 19.04510  32.26567 19.04510  0.000000       0.000000  
1 1 1 33 0  1  o 153.6375 2.572721  236.3060       7.900373  236.3060       7.900373  236.3060       7.900373  153.6375 2.572721  153.6375 2.572721  0.000000       0.000000  
1 1 1 33 0  2  o 230.2844 3.221058  530.8403       14.82869  530.8403       14.82869  530.8403       14.82869  230.2844 3.221058  230.2844 3.221058  0.000000       0.000000  
1 1 1 33 0  3  o 121.0826 2.678942  146.8669       6.480402  146.8669       6.480402  146.8669       6.480402  121.0826 2.678942  121.0826 2.678942  0.000000       0.000000  
1 1 1 33 0  4  o 102.8293 3.283524  106.1071       6.737713  106.1071       6.737713  106.1071       6.737713  102.8293 3.283524  102.8293 3.283524  0.000000       0.000000  
1 1 1 33 0  5  o 219.2214 3.830328  481.3224       16.78234  481.3224       16.78234  481.3224       16.78234  219.2214 3.830328  219.2214 3.830328  0.000000       0.000000  
1 1 1 33 0  6  o 45.13098 10.67250  23.55817       8.357814  23.55817       8.357814  23.55817       8.357814  45.13098 10.67250  45.13098 10.67250  0.000000       0.000000  
1 1 1 33 0  7  o 67.73784 6.622947  47.27835       8.815253  47.27835       8.815253  47.27835       8.815253  67.73784 6.622947  67.73784 6.622947  0.000000       0.000000  
1 1 1 33 0  8  o 115.0054 4.506352  133.0198       10.33052  133.0198       10.33052  133.0198       10.33052  115.0054 4.506352  115.0054 4.506352  0.000000       0.000000  
1 1 1 33 0  9  o 75.53259 6.632971  58.51423       9.873084  58.51423       9.873084  58.51423       9.873084  75.53259 6.632971  75.53259 6.632971  0.000000       0.000000  
1 1 1 33 0  10 o 115.3519 7.187376  135.1355       16.44879  135.1355       16.44879  135.1355       16.44879  115.3519 7.187376  115.3519 7.187376  0.000000       0.000000  
1 1 1 33 0  11 o 163.4208 5.559929  268.7938       18.12607  268.7938       18.12607  268.7938       18.12607  163.4208 5.559929  163.4208 5.559929  0.000000       0.000000  
1 1 1 33 0  12 o 163.7481 6.443952  270.6331       21.03272  270.6331       21.03272  270.6331       21.03272  163.7481 6.443952  163.7481 6.443952  0.000000       0.000000  
1 1 1 33 0  13 o 18.41057 12.57169  -6.175443      13.68509  -6.175443      13.68509  -6.175443      13.68509  18.41057 12.57169  18.41057 12.57169  0.000000       0.000000  
1 1 1 33 0  14 o 40.47167 19.32913  25.54994       17.80205  25.54994       17.80205  25.54994       17.80205  40.47167 19.32913  40.47167 19.32913  0.000000       0.000000  
1 1 1 33 0  15 o 62.35834 5.801812  40.14991       7.118913  40.14991       7.118913  40.14991       7.118913  62.35834 5.801812  62.35834 5.801812  0.000000       0.000000  
1 1 1 33 0  16 o 87.61236 7.327030  79.33728       12.66537  79.33728       12.66537  79.33728       12.66537  87.61236 7.327030  87.61236 7.327030  0.000000       0.000000  
1 1 1 33 0  17 o 24.09885 15.01688  5.708472       14.25689  5.708472       14.25689  5.708472       14.25689  24.09885 15.01688  24.09885 15.01688  0.000000       0.000000  
1 1 1 33 0  18 f 45.55015 19.50610  32.67838       18.04030  32.67838       18.04030  32.67838       18.04030  45.55015 19.50610  45.55015 19.50610  0.000000       0.000000  
1 1 1 33 0  19 o 92.41107 11.48479  94.24221       20.68964  94.24221       20.68964  94.24221       20.68964  92.41107 11.48479  92.41107 11.48479  0.000000       0.000000  
1 1 1 33 1  0  o 227.7449 2.947001  519.1184       13.41825  519.1184       13.41825  519.1184       13.41825  227.7449 2.947001  227.7449 2.947001  0.000000       0.000000  
1 1 1 33 1  1  o 274.8998 1.811281  756.7061       7.033143  799.6436       14.06629  713.7687       14.06629  282.7094 2.487764  267.0901 2.633247  15.61929       3.622562  
1 1 1 33 1  2  o 124.9918 1.327053  156.3350       2.344381  150.1357       4.688762  162.5342       4.688762  122.5119 1.913594  127.4717 1.839139  -4.959747      2.654105  
1 1 1 33 1  3  o 95.07856 1.473273  90.97342       1.963181  76.95478       3.926362  104.9921       3.926362  87.70643 2.238355  102.4507 1.916220  -14.74426      2.946546  
1 1 1 33 1  4  f 194.5200 1.694679  379.1655       4.650642  409.5995       9.301284  348.7314       9.301284  202.3429 2.298396  186.6972 2.491008  15.64572       3.389358  
1 1 1 33 1  5  f 98.32005 2.125340  96.76290       2.954301  94.02301       5.908603  99.50277       5.908603  96.92670 3.047975  99.71340 2.962793  -2.786705      4.250681  
1 1 1 33 1  6  o 125.3106 1.957956  157.1736       3.468921  153.0709       6.937842  161.2763       6.937842  123.6736 2.804901  126.9476 2.732562  -3.274010      3.915912  
1 1 1 33 1  7  o 146.9935 1.998789  216.2310       4.155082  216.5979       8.310163  215.8641       8.310163  147.1183 2.824313  146.8687 2.829113  0.2496033      3.997577  
1 1 1 33 1  8  f 145.5198 2.122078  212.0521       4.364742  203.9230       8.729484  220.1812       8.729484  142.7267 3.058112  148.3129 2.942927  -5.586243      4.244157  
1 1 1 33 1  9  o 176.4571 2.035614  311.7073       5.079492  315.8815       10.15898  307.5332       10.15898  177.6398 2.859433  175.2743 2.898024  2.365524       4.071228  
1 1 1 33 1  10 o 331.5362 2.757365  1101.835       12.92745  1116.059       25.85490  1087.612       25.85490  333.6813 3.874191  329.3911 3.924651  4.290192       5.514729  
1 1 1 33 1  11 o 180.1756 2.454334  325.4735       6.251682  335.2465       12.50336  315.7004       12.50336  182.8876 3.418319  177.4635 3.522799  5.424164       4.908668  
1 1 1 33 1  12 o 119.0707 3.373299  142.5212       5.679882  144.6178       11.35976  140.4246       11.35976  119.9511 4.735163  118.1903 4.805708  1.760811       6.746599  
1 1 1 33 1  13 o 169.5398 2.795423  288.8592       6.699593  279.1529       13.39919  298.5655       13.39919  166.6772 4.019501  172.4023 3.886023  -5.725098      5.590847  
1 1 1 33 1  14 o 111.7245 3.226915  125.7532       5.098552  126.3869       10.19710  125.1194       10.19710  112.0081 4.551948  111.4409 4.575117  0.5672226      6.453831  
1 1 1 33 1  15 o 87.59933 2.532474  77.40746       3.121076  68.37778       6.242152  86.43713       6.242152  82.44537 3.785630  92.75330 3.364922  -10.30793      5.064948  
1 1 1 33 1  16 o 75.36005 4.524639  58.60000       4.731647  45.84885       9.463295  71.35114       9.463295  66.89990 7.072727  83.82021 5.644996  -16.92030      9.049278  
1 1 1 33 1  17 o 65.08057 5.280618  43.76177       4.855536  41.62705       9.711073  45.89650       9.711073  63.44051 7.653686  66.72063 7.277416  -3.280117      10.56124  
1 1 1 33 1  18 f 30.99535 8.043809  3.935891       5.651292  19.06954       11.30258  -11.19775      11.30258  40.81385 12.59464  21.17686 10.00932  19.63699       16.08762  
1 1 1 33 1  19 o 55.02195 8.442870  35.18001       6.547113  26.45529       13.09423  43.90473       13.09423  46.84949 13.33390  63.19442 10.36027  -16.34492      16.88574  
1 1 1 33 1  20 o 33.10026 14.05903  9.387053       16.23913  9.387053       16.23913  ?              ?         33.10026 14.05903  ?        ?         ?              ?         
1 1 1 33 2  0  o 81.56638 3.454241  66.91969       5.613173  66.91969       5.613173  66.91969       5.613173  81.56638 3.454241  81.56638 3.454241  0.000000       0.000000  
1 1 1 33 2  1  o 110.1288 1.471586  121.9984       2.272906  140.0720       4.545812  103.9247       4.545812  118.3345 1.920747  101.9231 2.230020  16.41138       2.943172  
1 1 1 33 2  2  o 189.0824 1.479729  358.0470       3.950187  381.9911       7.900373  334.1029       7.900373  195.4140 2.021445  182.7507 2.161517  12.66333       2.959458  
1 1 1 33 2  3  o 174.6176 1.376356  305.3747       3.392681  326.6218       6.785362  284.1275       6.785362  180.7015 1.877506  168.5337 2.013058  12.16782       2.752713  
1 1 1 33 2  4  o 146.3322 1.766237  214.4394       3.649991  227.5669       7.299983  201.3118       7.299983  150.8178 2.420133  141.8467 2.573195  8.971069       3.532475  
1 1 1 33 2  5  o 30.77014 5.144374  8.591299       2.825646  -1.791641      5.651292  18.97424       5.651292  18.06052 7.976492  43.47975 6.498763  -25.41923      10.28875  
1 1 1 33 2  6  o 203.6834 1.851061  415.3985       5.327272  435.6070       10.65454  395.1902       10.65454  208.6442 2.553281  198.7227 2.680757  9.921463       3.702121  
1 1 1 33 2  7  o 517.4910 3.326025  2683.563       24.33963  2647.635       48.67926  2719.491       48.67926  514.0195 4.735156  520.9623 4.672052  -6.942810      6.652050  
1 1 1 33 2  8  o 133.3616 2.326534  178.8258       4.359977  155.6345       8.719954  202.0170       8.719954  124.6668 3.497305  142.0565 3.069184  -17.38977      4.653067  
1 1 1 33 2  9  o 164.0732 1.981764  269.4704       4.598227  271.9958       9.196454  266.9449       9.196454  164.8429 2.789461  163.3036 2.815753  1.539230       3.963528  
1 1 1 33 2  10 o 154.6662 2.220804  239.6558       4.855536  247.6848       9.711073  231.6268       9.711073  157.2618 3.087550  152.0706 3.192950  5.191223       4.441609  
1 1 1 33 2  11 o 261.8987 2.368929  687.5230       8.772368  703.0569       17.54474  671.9891       17.54474  264.8644 3.312023  258.9331 3.387890  5.931244       4.737857  
1 1 1 33 2  12 o 97.47342 4.323961  96.31976       5.913367  110.1383       11.82673  82.50124       11.82673  104.5618 5.655383  90.38507 6.542416  14.17669       8.647923  
1 1 1 33 2  13 o 93.66525 3.995745  88.71004       5.279623  95.88137       10.55925  81.53871       10.55925  97.49342 5.415362  89.83709 5.876885  7.656334       7.991491  
1 1 1 33 2  14 o 29.21778 8.561292  -2.134721      6.494698  11.51224       12.98940  -15.78169      12.98940  36.25115 13.45752  22.18442 10.58669  14.06673       17.12258  
1 1 1 33 2  15 o 139.5601 2.012416  195.8273       3.959717  178.2301       7.919433  213.4244       7.919433  133.2556 2.971520  145.8646 2.714652  -12.60902      4.024831  
1 1 1 33 2  16 f 60.33594 5.593554  37.57681       4.760237  40.63594       9.520474  34.51767       9.520474  62.87102 7.571433  57.80086 8.235582  5.070164       11.18711  
1 1 1 33 2  17 o 87.39615 4.083836  78.07932       5.027077  86.01781       10.05415  70.14082       10.05415  91.93782 5.467910  82.85448 6.067358  9.083344       8.167672  
1 1 1 33 2  18 o 82.07220 5.271572  70.64592       6.061082  59.96278       12.12216  81.32906       12.12216  75.56382 8.021143  88.58057 6.842452  -13.01675      10.54314  
1 1 1 33 2  19 o 47.19799 9.151304  26.68878       6.508993  18.54539       13.01799  34.83216       13.01799  39.91393 13.60235  54.48206 12.24588  -14.56814      18.30261  
1 1 1 33 2  20 o 81.47451 7.410861  77.30264       8.457878  66.71956       16.91576  87.88570       16.91576  74.97980 11.28021  87.96922 9.614588  -12.98943      14.82172  
1 1 1 33 3  0  o 376.8559 4.285062  1421.800       32.28765  1421.800       32.28765  1421.800       32.28765  376.8559 4.285062  376.8559 4.285062  0.000000       0.000000  
1 1 1 33 3  1  o 175.7964 1.430460  309.7918       3.545162  281.5068       7.090323  338.0769       7.090323  167.7516 2.113340  183.8413 1.928382  -16.08968      2.860920  
1 1 1 33 3  2  o 243.5062 1.612720  593.3762       5.551227  572.8581       11.10245  613.8943       11.10245  239.2932 2.319844  247.7193 2.240935  -8.426117      3.225440  
1 1 1 33 3  3  o 212.9091 1.509902  456.0393       4.507692  387.7091       9.015384  524.3694       9.015384  196.8624 2.289768  228.9559 1.968803  -32.09355      3.019805  
1 1 1 33 3  4  o 99.52876 1.879385  99.85060       2.615986  116.9236       5.231973  82.77761       5.231973  108.1057 2.419842  90.95184 2.876232  17.15383       3.758769  
1 1 1 33 3  5  o 222.1146 1.876283  494.1546       5.884778  462.7389       11.76956  525.5702       11.76956  215.0427 2.736563  229.1866 2.567680  -14.14391      3.752567  
1 1 1 33 3  6  o 159.0469 1.813480  254.1176       4.055017  222.4112       8.110033  285.8239       8.110033  149.0793 2.720040  169.0145 2.399213  -19.93521      3.626960  
1 1 1 33 3  7  o 123.0562 2.156067  151.9988       3.735762  135.6405       7.471523  168.3570       7.471523  116.4095 3.209155  129.7028 2.880247  -13.29331      4.312133  
1 1 1 33 3  8  f 277.2112 2.199429  770.0482       8.610358  817.2455       17.22072  722.8508       17.22072  285.7240 3.013523  268.6983 3.204471  17.02576       4.398858  
1 1 1 33 3  9  f 139.4278 2.170412  194.6503       4.278972  198.5957       8.557944  190.7049       8.557944  140.8427 3.038122  138.0129 3.100414  2.829727       4.340824  
1 1 1 33 3  10 o 36.75835 6.038037  11.90297       4.097902  28.40894       8.195804  -4.602992      8.195804  53.04934 7.724699  20.46736 9.282273  32.58198       12.07607  
1 1 1 33 3  11 o 148.2496 2.595993  220.6577       5.432102  204.8379       10.86420  236.4775       10.86420  142.9141 3.800957  153.5851 3.536868  -10.67107      5.191985  
1 1 1 33 3  12 o 162.8814 2.473308  266.1635       5.694177  256.1093       11.38835  276.2176       11.38835  159.7951 3.563424  165.9678 3.430893  -6.172684      4.946617  
1 1 1 33 3  13 o 36.71378 8.490509  13.36106       5.203382  8.881963       10.40676  17.84017       10.40676  32.49994 12.04946  40.92763 11.96518  -8.427689      16.98102  
1 1 1 33 3  14 o 142.2590 3.918322  206.1578       7.790778  241.9954       15.58156  170.3202       15.58156  154.8549 5.031020  129.6631 6.008480  25.19180       7.836644  
1 1 1 33 3  15 o 104.6897 2.600176  110.3146       3.845356  104.3345       7.690712  116.2946       7.690712  101.8336 3.776119  107.5458 3.575554  -5.712196      5.200352  
1 1 1 33 3  16 o 56.95713 5.996427  34.66539       4.550577  44.31452       9.101154  25.01626       9.101154  65.80109 6.915656  48.11317 9.798073  17.68792       11.99285  
1 1 1 33 3  17 o 34.58920 7.375429  9.129745       5.050902  25.03532       10.10180  -6.775833      10.10180  47.53668 10.85876  21.64173 9.983742  25.89495       14.75086  
1 1 1 33 3  18 o 182.3289 2.927624  336.9619       7.547763  330.1860       15.09553  343.7377       15.09553  180.4708 4.182263  184.1871 4.097879  -3.716278      5.855248  
1 1 1 33 3  19 o 32.56719 9.087853  5.770418       6.885427  -6.995024      13.77085  18.53586       13.77085  25.20574 11.63884  39.92864 13.96044  -14.72291      18.17571  
1 1 1 33 3  20 o 74.86554 6.549425  64.03210       6.752007  49.11764       13.50401  78.94656       13.50401  64.90472 10.40296  84.82636 7.959799  -19.92165      13.09885  
1 1 1 33 4  0  o 194.8666 3.384081  380.2471       13.18000  380.2471       13.18000  380.2471       13.18000  194.8666 3.384081  194.8666 3.384081  0.000000       0.000000  
1 1 1 33 4  1  o 122.2153 1.478667  149.4828       2.554041  155.7107       5.108082  143.2550       5.108082  124.7632 2.047111  119.6674 2.134283  5.095818       2.957334  
1 1 1 33 4  2  o 236.2522 1.598887  558.7441       5.336802  587.3437       10.67360  530.1446       10.67360  242.3050 2.202514  230.1995 2.318338  12.10550       3.197774  
1 1 1 33 4  3  o 375.7967 2.165352  1413.319       11.50748  1427.452       23.01496  1399.186       23.01496  377.6771 3.046909  373.9163 3.077555  3.760803       4.330705  
1 1 1 33 4  4  o 176.4748 1.615259  311.5692       4.031191  313.5181       8.062383  309.6203       8.062383  177.0270 2.277163  175.9226 2.291457  1.104340       3.230518  
1 1 1 33 4  5  o 197.7619 1.809760  391.3830       5.060432  382.1436       10.12086  400.6223       10.12086  195.4259 2.589438  200.0979 2.528979  -4.671967      3.619519  
1 1 1 33 4  6  o 112.9977 2.165301  128.0594       3.449862  116.6472       6.899723  139.4716       6.899723  107.9480 3.195855  118.0475 2.922436  -10.09948      4.330603  
1 1 1 33 4  7  o 70.55611 3.173481  50.45184       3.111546  39.70200       6.223093  61.20169       6.223093  62.93818 4.943814  78.17405 3.980281  -15.23587      6.346963  
1 1 1 33 4  8  o 131.3750 2.153198  173.5461       3.974012  150.5931       7.948023  196.4991       7.948023  122.6393 3.240407  140.1106 2.836338  -17.47138      4.306397  
1 1 1 33 4  9  o 368.3245 2.726974  1359.183       14.20447  1363.257       28.40894  1355.109       28.40894  368.8775 3.850729  367.7714 3.862310  1.106110       5.453948  
1 1 1 33 4  10 o 181.3320 2.235158  329.5046       5.727532  344.3095       11.45506  314.6998       11.45506  185.4142 3.089047  177.2497 3.231335  8.164490       4.470317  
1 1 1 33 4  11 f 21.01386 6.601104  -2.792291      3.945422  -2.906651      7.890843  -2.677931      7.890843  20.94182 9.316225  21.08591 9.354479  -0.1440945     13.20221  
1 1 1 33 4  12 o 39.23727 8.261308  14.92399       5.494047  25.71195       10.98809  4.136022       10.98809  48.99669 11.41453  29.47787 11.94593  19.51882       16.52262  
1 1 1 33 4  13 o 130.1076 3.457753  170.5156       6.361277  173.9512       12.72255  167.0800       12.72255  131.4278 4.840130  128.7873 4.939368  2.640564       6.915505  
1 1 1 33 4  14 o 102.7113 3.132834  106.2548       4.550577  105.7163       9.101154  106.7932       9.101154  102.4492 4.441788  102.9734 4.419176  -0.5242233     6.265668  
1 1 1 33 4  15 o 98.99326 2.644696  98.60220       3.702406  99.45512       7.404812  97.74924       7.404812  99.42406 3.723854  98.56245 3.756407  0.8616104      5.289393  
1 1 1 33 4  16 o 121.8844 2.593247  149.5543       4.469572  147.2004       8.939144  151.9083       8.939144  120.9187 3.696344  122.8500 3.638235  -1.931282      5.186493  
1 1 1 33 4  17 o 87.54746 4.442143  78.58442       5.489282  84.07369       10.97856  73.09513       10.97856  90.68250 6.053298  84.41243 6.502931  6.270065       8.884286  
1 1 1 33 4  18 o 52.32564 7.500365  31.58720       5.536932  15.41002       11.07386  47.76438       11.07386  37.32261 12.54560  67.32866 8.223738  -30.00605      15.00073  
1 1 1 33 4  19 o 84.52920 6.011065  77.34074       7.018848  59.47675       14.03770  95.20473       14.03770  73.96244 9.489746  95.09595 7.380806  -21.13351      12.02213  
1 1 1 33 4  20 o 20.44231 9.953390  -16.62033      13.03705  -16.62033      13.03705  ?              ?         20.44231 9.953390  ?        ?         ?              ?         
1 1 1 33 5  0  o 20.27971 10.27350  6.099203       5.136672  6.099203       5.136672  6.099203       5.136672  20.27971 10.27350  20.27971 10.27350  0.000000       0.000000  
1 1 1 33 5  1  o 277.7112 1.703420  771.5920       6.690063  772.0733       13.38013  771.1107       13.38013  277.7979 2.408248  277.6246 2.409751  0.1733093      3.406840  
1 1 1 33 5  2  o 258.3189 1.608613  668.0198       5.870482  703.0569       11.74096  632.9828       11.74096  265.1006 2.214436  251.5371 2.333843  13.56349       3.217227  
1 1 1 33 5  3  o 214.1625 1.519254  459.9847       4.583931  506.1480       9.167863  413.8213       9.167863  224.9401 2.037845  203.3848 2.253822  21.55530       3.038507  
1 1 1 33 5  4  o 158.5355 1.376682  251.8685       3.078191  230.4831       6.156383  273.2538       6.156383  151.7908 2.027917  165.2801 1.862409  -13.48930      2.753364  
1 1 1 33 5  5  o 135.2406 1.848866  183.0332       3.535631  186.5594       7.071262  179.5071       7.071262  136.5442 2.589367  133.9369 2.639773  2.607285       3.697732  
1 1 1 33 5  6  o 149.1088 1.801691  223.6549       3.769116  191.2672       7.538233  256.0426       7.538233  138.2483 2.726338  159.9692 2.356151  -21.72087      3.603383  
1 1 1 33 5  7  o 124.1713 2.115645  154.4051       3.711936  161.8385       7.423873  146.9717       7.423873  127.1645 2.919003  121.1781 3.063206  5.986404       4.231290  
1 1 1 33 5  8  o 38.59906 6.078498  15.70068       3.249731  12.41759       6.499463  18.98377       6.499463  34.46438 9.238549  42.73374 7.902011  -8.269363      12.15700  
1 1 1 33 5  9  o 213.9345 1.939078  458.4218       5.860952  435.1018       11.72190  481.7417       11.72190  208.4842 2.811221  219.3848 2.671540  -10.90051      3.878156  
1 1 1 33 5  10 o 290.5497 2.401084  848.0750       9.825435  759.5699       19.65087  936.5802       19.65087  275.3190 3.568745  305.7803 3.213233  -30.46130      4.802167  
1 1 1 33 5  11 o 193.8014 2.313289  376.5352       6.337452  363.8079       12.67490  389.2625       12.67490  190.5178 3.326436  197.0850 3.215593  -6.567200      4.626577  
1 1 1 33 5  12 o 60.74709 5.693058  39.11590       4.526752  52.45314       9.053504  25.77866       9.053504  72.06339 6.281625  49.43079 9.496570  22.63261       11.38612  
1 1 1 33 5  13 o 173.8020 2.898607  303.9214       7.114148  285.0424       14.22830  322.8003       14.22830  168.3709 4.225285  179.2332 3.969213  -10.86232      5.797214  
1 1 1 33 5  14 o 40.34885 7.195989  17.57809       4.178907  12.91316       8.357814  22.24303       8.357814  35.08408 10.83115  45.61361 9.477088  -10.52954      14.39198  
1 1 1 33 5  15 o 94.99324 2.827076  91.64051       3.750056  75.05830       7.500113  108.2227       7.500113  86.26514 4.347128  103.7213 3.615511  -17.45620      5.654152  
1 1 1 33 5  16 o 77.72531 4.095055  61.44946       4.498162  64.05116       8.996324  58.84777       8.996324  79.39895 5.665267  76.05167 5.914613  3.347282       8.190109  
1 1 1 33 5  17 o 63.56083 6.596822  43.37581       5.703707  51.15705       11.40741  35.59456       11.40741  70.08857 8.137856  57.03308 10.38497  13.05549       13.19364  
1 1 1 33 5  18 o 28.88373 8.444208  -0.7195154     6.361277  -14.78104      12.72255  13.34200       12.72255  21.63211 10.35978  36.13536 13.33768  -14.50325      16.88842  
1 1 1 33 5  19 o 32.58442 13.48094  7.728833       14.31407  7.728833       14.31407  ?              ?         32.58442 13.48094  ?        ?         ?              ?         
1 1 1 33 5  20 o 38.05471 14.13083  20.19408       14.32360  20.19408       14.32360  ?              ?         38.05471 14.13083  ?        ?         ?              ?         
1 1 1 33 6  0  o 81.32598 3.666250  66.57661       5.937192  66.57661       5.937192  66.57661       5.937192  81.32598 3.666250  81.32598 3.666250  0.000000       0.000000  
1 1 1 33 6  1  o 242.1656 1.684030  587.4675       5.756122  545.1734       11.51224  629.7617       11.51224  233.4331 2.465855  250.8981 2.294207  -17.46497      3.368060  
1 1 1 33 6  2  o 92.38951 1.669910  86.50861       2.139486  67.00546       4.278972  106.0118       4.278972  81.83466 2.614401  102.9444 2.078294  -21.10970      3.339819  
1 1 1 33 6  3  o 287.6337 1.749623  828.7006       7.104619  885.1563       14.20924  772.2448       14.20924  297.4475 2.388528  277.8199 2.557275  19.62766       3.499246  
1 1 1 33 6  4  f 263.7855 1.736065  696.2382       6.475638  708.3652       12.95128  684.1113       12.95128  266.0841 2.433681  261.4869 2.476468  4.597260       3.472131  
1 1 1 33 6  5  o 209.1860 1.770190  437.8561       5.236737  435.0542       10.47347  440.6578       10.47347  208.5163 2.511429  209.8557 2.495400  -1.339386      3.540380  
1 1 1 33 6  6  o 252.1034 1.871511  636.0849       6.671002  620.7463       13.34200  651.4234       13.34200  249.0613 2.678458  255.1455 2.614588  -6.084244      3.743021  
1 1 1 33 6  7  o 68.81808 3.272969  47.81203       3.149666  56.01736       6.299332  39.60670       6.299332  74.77969 4.211927  62.85646 5.010887  11.92322       6.545939  
1 1 1 33 6  8  o 260.0623 2.342571  677.2878       8.615124  685.4551       17.23025  669.1207       17.23025  261.6326 3.292833  258.4921 3.332839  3.140503       4.685143  
1 1 1 33 6  9  f 131.3114 2.248417  172.8266       4.169377  162.1625       8.338754  183.4907       8.338754  127.2508 3.276504  135.3720 3.079941  -8.121201      4.496833  
1 1 1 33 6  10 o 174.1603 2.302314  304.5360       5.651292  333.4548       11.30258  275.6172       11.30258  182.4627 3.097232  165.8580 3.407308  16.60469       4.604628  
1 1 1 33 6  11 o 144.2041 2.304734  208.4688       4.698292  201.6835       9.396584  215.2542       9.396584  141.8514 3.312123  146.5568 3.205783  -4.705383      4.609469  
1 1 1 33 6  12 o 72.52356 4.844768  55.14060       4.698292  34.87981       9.396584  75.40139       9.396584  58.55514 8.023706  86.49197 5.432055  -27.93684      9.689535  
1 1 1 33 6  13 o 64.94800 4.912860  44.19063       4.288502  59.68641       8.577003  28.69484       8.577003  76.87737 5.578367  53.01862 8.088671  23.85875       9.825720  
1 1 1 33 6  14 o 46.31639 6.478870  23.83454       4.269442  8.681833       8.538883  38.98725       8.538883  30.74556 10.96861  61.88722 6.898746  -31.14166      12.95774  
1 1 1 33 6  15 o 69.14317 3.712522  48.66973       3.602341  41.81766       7.204682  55.52180       7.204682  64.18818 5.612157  74.09816 4.861580  -9.909981      7.425044  
1 1 1 33 6  16 o 27.16011 7.345002  4.969897       4.107431  9.291754       8.214863  0.6480404      8.214863  30.90294 10.78461  23.41727 9.974391  7.485670       14.69000  
1 1 1 33 6  17 o 43.51602 8.032302  21.23761       5.036607  24.74942       10.07321  17.72581       10.07321  47.15156 10.89281  39.88047 11.80755  7.271088       16.06460  
1 1 1 33 6  18 o 82.31012 5.419814  70.87463       6.308862  70.66498       12.61772  71.08430       12.61772  82.18276 7.676625  82.43748 7.652905  -0.2547150     10.83963  
1 1 1 33 6  19 o 48.74044 9.360314  29.14751       6.933078  39.25409       13.86616  19.04095       13.86616  57.45041 12.41987  40.03047 14.00745  17.41994       18.72063  
1 1 1 33 7  0  o 113.0499 4.317171  128.4549       9.730133  128.4549       9.730133  128.4549       9.730133  113.0499 4.317171  113.0499 4.317171  0.000000       0.000000  
1 1 1 33 7  1  o 132.5868 1.469378  175.8953       2.754171  170.4250       5.508343  181.3655       5.508343  130.5239 2.110090  134.6496 2.045435  -4.125748      2.938755  
1 1 1 33 7  2  o 385.7555 2.266599  1489.297       12.36518  1493.619       24.73036  1484.975       24.73036  386.3157 3.200797  385.1953 3.210106  1.120361       4.533198  
1 1 1 33 7  3  o 124.0449 1.399190  154.3432       2.444446  138.2136       4.888892  170.4727       4.888892  117.5435 2.079610  130.5464 1.872472  -13.00298      2.798380  
1 1 1 33 7  4  o 187.3326 1.712699  351.1759       4.536282  360.2628       9.072563  342.0890       9.072563  189.7579 2.390563  184.9072 2.453274  4.850647       3.425397  
1 1 1 33 7  5  o 130.9608 1.810451  171.7307       3.349797  180.4887       6.699593  162.9726       6.699593  134.3046 2.494178  127.6171 2.624882  6.687553       3.620902  
1 1 1 33 7  6  o 94.53351 2.303156  89.47244       3.078191  91.98359       6.156383  86.96129       6.156383  95.86169 3.211075  93.20532 3.302592  2.656372       4.606313  
1 1 1 33 7  7  o 66.87759 3.640572  45.74401       3.340266  58.44751       6.680532  33.04052       6.680532  76.37517 4.373497  57.38003 5.821305  18.99514       7.281145  
1 1 1 33 7  8  o 96.38219 2.594286  93.14626       3.530867  99.00721       7.061733  87.28531       7.061733  99.42267 3.551370  93.34171 3.782732  6.080956       5.188572  
1 1 1 33 7  9  o 199.8681 2.183808  400.1030       6.170677  388.3953       12.34135  411.8106       12.34135  196.9392 3.133290  202.7969 3.042787  -5.857666      4.367615  
1 1 1 33 7  10 o 142.2296 2.523114  203.7515       5.036607  232.5511       10.07321  174.9518       10.07321  152.3539 3.305860  132.1052 3.812573  20.24872       5.046229  
1 1 1 33 7  11 o 136.4787 2.888505  186.9215       5.575052  185.9875       11.15010  187.8554       11.15010  136.1366 4.095191  136.8209 4.074708  -0.6842957     5.777009  
1 1 1 33 7  12 f 32.16355 6.709305  10.73555       3.302146  12.97987       6.604293  8.491233       6.604293  34.97837 9.284009  29.34872 9.688460  5.629648       13.41861  
1 1 1 33 7  13 o 110.2792 3.003628  123.1658       4.636347  103.0098       9.272694  143.3217       9.272694  101.1405 4.584064  119.4178 3.882460  -18.27722      6.007257  
1 1 1 33 7  14 o 111.8226 2.961835  126.5394       4.645877  108.1179       9.291754  144.9609       9.291754  103.5857 4.485056  120.0595 3.869644  -16.47385      5.923671  
1 1 1 33 7  15 o 115.5002 2.668500  134.4112       4.355212  140.6438       8.710423  128.1785       8.710423  118.1983 3.684666  112.8021 3.860932  5.396202       5.336999  
1 1 1 33 7  16 o 65.48115 4.935717  44.03815       4.555342  48.09793       9.110683  39.97836       9.110683  68.58112 6.642269  62.38118 7.302430  6.199932       9.871434  
1 1 1 33 7  17 o 49.17903 6.667710  27.93720       4.736412  7.576353       9.472824  48.29806       9.472824  29.92273 11.39882  68.43533 6.921005  -38.51260      13.33542  
1 1 1 33 7  18 o 43.32033 9.023517  21.70459       5.975312  17.65910       11.95062  25.75007       11.95062  39.54665 13.03278  47.09401 12.48367  -7.547359      18.04703  
1 1 1 33 7  19 o 73.32654 6.731091  59.09556       6.918783  50.85210       13.83757  67.33900       13.83757  67.70548 10.21894  78.94759 8.763766  -11.24211      13.46218  
1 1 1 33 8  0  o 386.9837 4.611525  1499.470       35.68034  1499.470       35.68034  1499.470       35.68034  386.9837 4.611525  386.9837 4.611525  0.000000       0.000000  
1 1 1 33 8  1  o 268.9625 1.732679  723.7991       6.589998  712.5298       13.18000  735.0683       13.18000  266.8675 2.469389  271.0574 2.431219  -4.189880      3.465358  
1 1 1 33 8  2  o 438.2631 2.514166  1923.202       15.57679  1861.925       31.15358  1984.480       31.15358  431.2721 3.611825  445.2541 3.498405  -13.98196      5.028331  
1 1 1 33 8  3  o 227.7899 1.597980  519.2137       5.146202  534.0995       10.29240  504.3278       10.29240  231.0574 2.227240  224.5225 2.292066  6.534897       3.195961  
1 1 1 33 8  4  o 233.6378 1.616651  546.1359       5.341567  542.9529       10.68313  549.3189       10.68313  232.9566 2.292945  234.3189 2.279614  -1.362366      3.233301  
1 1 1 33 8  5  o 202.3344 1.711155  410.3143       4.884127  376.8735       9.768253  443.7551       9.768253  194.0706 2.516675  210.5981 2.319170  -16.52747      3.422309  
1 1 1 33 8  6  o 70.41498 2.652009  49.66085       2.639811  51.31907       5.279623  48.00263       5.279623  71.59244 3.687277  69.23752 3.812689  2.354919       5.304018  
1 1 1 33 8  7  o 64.61892 2.926130  42.24175       2.635046  33.98399       5.270092  50.49949       5.270092  58.22934 4.525290  71.00850 3.710888  -12.77916      5.852259  
1 1 1 33 8  8  o 186.5876 1.797350  349.4414       4.722116  311.9075       9.444233  386.9753       9.444233  176.5296 2.674971  196.6456 2.401333  -20.11598      3.594700  
1 1 1 33 8  9  o 198.7712 2.165397  395.7525       6.084907  383.6779       12.16981  407.8270       12.16981  195.7339 3.108765  201.8085 3.015189  -6.074585      4.330795  
1 1 1 33 8  10 o 201.0076 1.925345  404.9537       5.465457  380.2376       10.93091  429.6697       10.93091  194.8595 2.804819  207.1556 2.638334  -12.29608      3.850690  
1 1 1 33 8  11 o 160.1677 1.830439  256.9241       4.145552  261.9703       8.291104  251.8780       8.291104  161.7430 2.563049  158.5925 2.613965  3.150513       3.660879  
1 1 1 33 8  12 o 81.61431 3.250861  67.55343       3.707171  79.48976       7.414343  55.61710       7.414343  88.92696 4.168783  74.30167 4.989352  14.62529       6.501721  
1 1 1 33 8  13 o 124.4184 2.576586  155.5583       4.531517  160.9904       9.063033  150.1262       9.063033  126.6014 3.579358  122.2354 3.707206  4.366005       5.153172  
1 1 1 33 8  14 o 123.7977 3.186338  154.6672       5.565523  166.7560       11.13105  142.5784       11.13105  128.6802 4.325080  118.9152 4.680243  9.764984       6.372676  
1 1 1 33 8  15 o 85.38136 3.712776  75.15361       4.364742  55.71240       8.729484  94.59482       8.729484  73.99643 5.898584  96.76629 4.510602  -22.76986      7.425552  
1 1 1 33 8  16 o 42.27685 7.561490  19.64610       4.541047  21.96666       9.082094  17.32555       9.082094  44.81783 10.33607  39.73587 11.03948  5.081955       15.12298  
1 1 1 33 8  17 o 100.9393 4.105821  104.3107       5.846657  96.06244       11.69331  112.5589       11.69331  96.85358 6.036594  105.0250 5.566918  -8.171455      8.211641  
1 1 1 33 8  18 o 80.45284 6.303368  70.81270       6.771068  45.55342       13.54214  96.07197       13.54214  64.75465 10.45650  96.15102 7.042118  -31.39638      12.60674  
1 1 1 33 8  19 o 75.58008 6.899773  62.83132       7.371458  60.81095       14.74292  64.85167       14.74292  74.24351 9.928758  76.91665 9.583696  -2.673141      13.79955  
1 1 1 33 9  0  o 102.7359 3.286532  105.9165       6.737713  105.9165       6.737713  105.9165       6.737713  102.7359 3.286532  102.7359 3.286532  0.000000       0.000000  
1 1 1 33 9  1  o 200.9966 1.547710  404.2342       4.398098  392.8840       8.796194  415.5844       8.796194  198.1732 2.219320  203.8201 2.157832  -5.646957      3.095420  
1 1 1 33 9  2  o 259.2685 1.798524  673.1948       6.585233  632.0585       13.17047  714.3310       13.17047  251.3354 2.620097  267.2017 2.464518  -15.86626      3.597049  
1 1 1 33 9  3  o 162.1859 1.459697  265.0532       3.311677  309.9157       6.623353  220.1907       6.623353  176.0165 1.881458  148.3553 2.232260  27.66116       2.919395  
1 1 1 33 9  4  o 156.7530 1.603240  246.2505       3.545162  226.1184       7.090323  266.3827       7.090323  150.3314 2.358231  163.1746 2.172618  -12.84322      3.206481  
1 1 1 33 9  5  o 359.1506 2.268289  1291.482       11.51701  1252.290       23.03402  1330.674       23.03402  353.6944 3.256203  364.6069 3.158747  -10.91245      4.536578  
1 1 1 33 9  6  o 65.74014 3.185094  44.06674       2.882826  32.52590       5.765652  55.60757       5.765652  56.96251 5.060918  74.51775 3.868644  -17.55524      6.370188  
1 1 1 33 9  7  o 180.0653 1.806562  324.5919       4.598227  336.1613       9.196454  313.0225       9.196454  183.2778 2.508884  176.8527 2.600032  6.425110       3.613124  
1 1 1 33 9  8  o 193.9308 1.756292  376.8449       4.807887  350.4182       9.615773  403.2717       9.615773  187.1174 2.569450  200.7442 2.395031  -13.62688      3.512584  
1 1 1 33 9  9  o 321.3412 2.197384  1034.386       9.982679  1004.081       19.96536  1064.692       19.96536  316.6257 3.152832  326.0567 3.061639  -9.430939      4.394768  
1 1 1 33 9  10 o 217.0932 1.920686  472.3403       5.889543  499.3722       11.77909  445.3085       11.77909  223.3190 2.637278  210.8673 2.793009  12.45172       3.841371  
1 1 1 33 9  11 o 59.37682 4.345259  37.16702       3.397446  52.48174       6.794893  21.85230       6.794893  72.27303 4.700850  46.48061 7.309386  25.79242       8.690518  
1 1 1 33 9  12 o 172.7686 2.057456  299.4423       5.022312  284.5278       10.04462  314.3567       10.04462  168.4523 2.981446  177.0849 2.836104  -8.632629      4.114913  
1 1 1 33 9  13 f 199.6706 2.219060  400.0695       6.265977  397.0485       12.53195  403.0906       12.53195  198.9141 3.150092  200.4271 3.126312  -1.513016      4.438120  
1 1 1 33 9  14 o 49.66002 5.817303  28.37082       3.716702  9.730133       7.433403  47.01151       7.433403  31.13655 10.27864  68.18349 5.451028  -37.04694      11.63461  
1 1 1 33 9  15 o 64.36755 4.576955  43.45682       3.983541  29.16181       7.967083  57.75183       7.967083  53.26334 7.478956  75.47175 5.278190  -22.20841      9.153910  
1 1 1 33 9  16 o 64.18172 4.861279  42.21792       4.412392  42.04638       8.824783  42.38946       8.824783  64.04808 6.889187  64.31535 6.860557  -0.2672729     9.722558  
1 1 1 33 9  17 o 91.83109 4.326186  86.68015       5.589347  96.58659       11.17869  76.77370       11.17869  97.22492 5.748883  86.43725 6.466365  10.78767       8.652371  
1 1 1 33 9  18 o 25.22761 8.111359  -4.755472      6.342218  -5.298682      12.68444  -4.212262      12.68444  24.99796 11.39555  25.45726 11.54634  -0.4593086     16.22272  
1 1 1 33 9  19 o 26.87821 12.38639  -6.289802      15.49579  -6.289802      15.49579  ?              ?         26.87821 12.38639  ?        ?         ?              ?         
1 1 1 33 10 0  o 219.4313 3.380686  482.0752       14.82869  482.0752       14.82869  482.0752       14.82869  219.4313 3.380686  219.4313 3.380686  0.000000       0.000000  
1 1 1 33 10 1  o 148.2480 1.466189  220.3337       3.063896  199.8156       6.127792  240.8518       6.127792  141.3279 2.167935  155.1682 1.974564  -13.84038      2.932379  
1 1 1 33 10 2  o 74.13875 2.256607  56.02213       2.301496  41.12197       4.602992  70.92229       4.602992  64.08991 3.591043  84.18758 2.733771  -20.09767      4.513213  
1 1 1 33 10 3  o 155.8736 1.662394  243.3153       3.659522  258.0248       7.319043  228.6057       7.319043  160.5920 2.278769  151.1552 2.421037  9.436859       3.324787  
1 1 1 33 10 4  o 232.2147 1.689243  539.6126       5.546463  527.6096       11.09293  551.6157       11.09293  229.6302 2.415389  234.7992 2.362215  -5.168945      3.378485  
1 1 1 33 10 5  o 244.0759 1.772833  597.6981       6.094438  535.5386       12.18888  659.8574       12.18888  231.3422 2.634382  256.8095 2.373136  -25.46724      3.545665  
1 1 1 33 10 6  o 80.60014 2.634456  65.13757       2.997186  60.50599       5.994372  69.76916       5.994372  77.72696 3.856045  83.47332 3.590592  -5.746361      5.268912  
1 1 1 33 10 7  f 49.98853 4.089963  25.72148       2.782761  17.75440       5.565523  33.68856       5.565523  42.01962 6.622529  57.95744 4.801388  -15.93782      8.179927  
1 1 1 33 10 8  o 130.8204 2.135974  171.3876       3.950187  165.8792       7.900373  176.8959       7.900373  128.7151 3.068938  132.9257 2.971725  -4.210617      4.271947  
1 1 1 33 10 9  o 111.7743 2.282818  125.6150       3.588047  140.9964       7.176094  110.2336       7.176094  118.6549 3.023936  104.8937 3.420650  13.76115       4.565636  
1 1 1 33 10 10 o 131.0567 1.947199  172.6837       3.588047  194.0690       7.176094  151.2983       7.176094  139.2155 2.577333  122.8979 2.919535  16.31761       3.894397  
1 1 1 33 10 11 o 97.24336 2.750236  94.94743       3.778647  90.21101       7.557293  99.68384       7.557293  94.80802 3.985577  99.67870 3.790827  -4.870682      5.500472  
1 1 1 33 10 12 o 132.3987 2.297323  175.9429       4.298031  167.8043       8.596063  184.0816       8.596063  129.3252 3.323430  135.4722 3.172629  -6.147064      4.594646  
1 1 1 33 10 13 o 43.01281 6.592010  19.81764       4.031191  27.63701       8.062383  11.99827       8.062383  52.02357 7.748779  34.00204 10.66653  18.02152       13.18402  
1 1 1 33 10 14 o 64.63008 4.189849  42.66106       3.783412  50.16594       7.566823  35.15619       7.566823  70.43610 5.371409  58.82406 6.431742  11.61205       8.379699  
1 1 1 33 10 15 o 127.7648 2.610080  164.6213       4.703057  150.6122       9.406114  178.6304       9.406114  122.2824 3.846061  133.2472 3.529573  -10.96476      5.220160  
1 1 1 33 10 16 o 36.46525 7.987460  14.10441       4.669702  9.758724       9.339403  18.45009       9.339403  32.01697 11.46634  40.91353 11.12300  -8.896561      15.97492  
1 1 1 33 10 17 o 53.28374 7.460890  31.38230       5.422573  33.54561       10.84515  29.21899       10.84515  55.33183 10.18136  51.23564 10.90868  4.096195       14.92178  
1 1 1 33 10 18 o 23.44975 7.673887  -11.03098      6.308862  -22.71000      12.61772  0.6480404      12.61772  19.25378 9.472810  27.64572 12.07560  -8.391939      15.34777  
1 1 1 33 10 19 o 34.88425 14.43124  10.05415       16.40114  10.05415       16.40114  ?              ?         34.88425 14.43124  ?        ?         ?              ?         
1 1 1 33 11 0  o 38.11113 9.318906  16.92529       6.146852  16.92529       6.146852  16.92529       6.146852  38.11113 9.318906  38.11113 9.318906  0.000000       0.000000  
1 1 1 33 11 1  o 146.3417 1.523986  214.8778       3.140136  238.0976       6.280273  191.6579       6.280273  154.2751 2.035413  138.4083 2.268749  15.86688       3.047971  
1 1 1 33 11 2  o 106.0677 1.773785  113.4309       2.630281  133.1246       5.260562  93.73711       5.260562  115.3513 2.280236  96.78411 2.717679  18.56715       3.547570  
1 1 1 33 11 3  o 171.3251 1.542830  293.7862       3.735762  281.7260       7.471523  305.8464       7.471523  167.8054 2.226246  174.8448 2.136616  -7.039383      3.085660  
1 1 1 33 11 4  o 45.18771 3.535775  20.96601       2.177606  14.57137       4.355212  27.36064       4.355212  38.11208 5.713689  52.26334 4.166603  -14.15126      7.071550  
1 1 1 33 11 5  o 186.3816 1.781030  347.8690       4.688762  367.7057       9.377523  328.0323       9.377523  191.7032 2.445845  181.0601 2.589616  10.64304       3.562060  
1 1 1 33 11 6  o 74.58879 2.657037  57.46115       2.673166  77.17397       5.346332  37.74835       5.346332  87.80312 3.044500  61.37447 4.355502  26.42865       5.314074  
1 1 1 33 11 7  f 44.66232 4.270905  20.06542       2.692226  18.61210       5.384452  21.51875       5.384452  43.03531 6.255855  46.28934 5.816082  -3.254032      8.541811  
1 1 1 33 11 8  o 156.7677 1.814357  246.4125       4.012132  226.0422       8.024263  266.7829       8.024263  150.2708 2.669935  163.2647 2.457439  -12.99399      3.628713  
1 1 1 33 11 9  o 73.17102 3.199405  53.76352       3.306911  56.73211       6.613823  50.79492       6.613823  75.19955 4.397514  71.14249 4.648293  4.057060       6.398809  
1 1 1 33 11 10 o 57.74498 4.398406  33.81245       3.559456  38.99678       7.118913  28.62813       7.118913  62.23396 5.719476  53.25600 6.683672  8.977962       8.796811  
1 1 1 33 11 11 o 30.10452 6.589236  7.795544       3.588047  15.83887       7.176094  -0.2477801     7.176094  38.61539 9.373013  21.59365 9.263844  17.02174       13.17847  
1 1 1 33 11 12 o 48.89896 5.723801  24.86378       3.835827  28.41847       7.671653  21.30909       7.671653  52.89338 7.251997  44.90454 8.857546  7.988842       11.44760  
1 1 1 33 11 13 o 59.71192 4.296325  36.29025       3.602341  31.38230       7.204682  41.19821       7.204682  55.60223 6.478772  63.82161 5.644391  -8.219376      8.592650  
1 1 1 33 11 14 o 44.94672 5.917716  21.15185       3.678581  22.78624       7.357163  19.51745       7.357163  47.15098 7.801707  42.74246 8.900046  4.408524       11.83543  
1 1 1 33 11 15 o 63.34197 4.687346  40.98378       4.197967  41.95108       8.395933  40.01649       8.395933  64.10552 6.548526  62.57842 6.708330  1.527100       9.374693  
1 1 1 33 11 16 o 76.44650 4.869802  60.00090       5.260562  57.28485       10.52112  62.71695       10.52112  74.67007 7.045075  78.22295 6.725089  -3.552879      9.739605  
1 1 1 33 11 17 o 77.64704 5.403222  63.20775       5.851423  51.61450       11.70285  74.80100       11.70285  70.18169 8.337535  85.11240 6.874935  -14.93071      10.80644  
1 1 1 33 11 18 o 36.85162 9.574212  13.63743       6.837778  21.03272       13.67556  6.242152       13.67556  42.13333 13.94164  31.56992 13.12603  10.56341       19.14842  
1 1 1 33 11 19 o 26.03621 11.83013  -3.440331      13.42777  -3.440331      13.42777  ?              ?         26.03621 11.83013  ?        ?         ?              ?         
1 1 1 33 12 0  f 106.4571 3.400420  113.7406       7.223743  113.7406       7.223743  113.7406       7.223743  106.4571 3.400420  106.4571 3.400420  0.000000       0.000000  
1 1 1 33 12 1  o 58.92629 2.602267  35.07994       2.139486  28.49471       4.278972  41.66518       4.278972  53.33861 4.011139  64.51398 3.316314  -11.17537      5.204535  
1 1 1 33 12 2  o 164.8563 1.555741  272.6677       3.611871  243.9014       7.223743  301.4340       7.223743  156.1316 2.313350  173.5810 2.080800  -17.44933      3.111481  
1 1 1 33 12 3  o 76.62243 2.236212  58.88589       2.415856  64.15598       4.831712  53.61580       4.831712  80.06143 3.017503  73.18343 3.301097  6.878006       4.472423  
1 1 1 33 12 4  o 188.6951 1.577455  356.3364       4.207497  343.5853       8.414993  369.0875       8.414993  185.3163 2.270441  192.0739 2.190562  -6.757538      3.154911  
1 1 1 33 12 5  o 175.0267 1.703808  306.5374       4.217027  302.1297       8.434053  310.9449       8.434053  173.7676 2.426820  176.2859 2.392153  -2.518265      3.407616  
1 1 1 33 12 6  o 22.25241 5.840630  2.930476       2.639811  6.823483       5.279623  -0.9625304     5.279623  26.50714 8.662500  17.99767 7.836639  8.509466       11.68126  
1 1 1 33 12 7  o 134.4137 1.870577  180.8652       3.554691  175.7142       7.109383  186.0161       7.109383  132.4977 2.682834  136.3298 2.607420  -3.832169      3.741154  
1 1 1 33 12 8  o 89.55737 2.435285  80.37605       3.082956  83.17787       6.165912  77.57423       6.165912  91.12164 3.383342  87.99312 3.503633  3.128517       4.870569  
1 1 1 33 12 9  f 121.2719 2.039214  147.4149       3.492747  156.1205       6.985494  138.7092       6.985494  124.8612 2.797304  117.6825 2.967939  7.178635       4.078428  
1 1 1 33 12 10 o 41.79271 5.597476  19.43168       3.321206  5.174792       6.642413  33.68856       6.642413  25.74427 9.610258  57.84115 5.741944  -32.09688      11.19495  
1 1 1 33 12 11 o 127.3946 2.313051  163.3395       4.145552  144.1890       8.291104  182.4901       8.291104  119.8784 3.458130  134.9109 3.072808  -15.03246      4.626101  
1 1 1 33 12 12 o 156.4643 2.163702  245.6644       4.784062  256.7002       9.568124  234.6287       9.568124  159.9909 2.990209  152.9377 3.128112  7.053207       4.327405  
1 1 1 33 12 13 o 93.96755 3.451822  89.36284       4.564872  79.30869       9.129744  99.41699       9.129744  88.61775 5.151194  99.31735 4.596248  -10.69960      6.903644  
1 1 1 33 12 14 o 76.23001 3.909935  59.64830       4.131257  73.08560       8.262513  46.21099       8.262513  85.04366 4.857807  67.41635 6.127975  17.62731       7.819870  
1 1 1 33 12 15 o 58.95880 5.487857  37.41003       4.197967  23.85360       8.395933  50.96646       8.395933  47.13623 9.235302  70.78137 5.930892  -23.64514      10.97571  
1 1 1 33 12 16 o 48.37363 7.786014  25.95020       5.212912  24.79707       10.42582  27.10333       10.42582  47.21879 11.19560  49.52848 10.82343  -2.309685      15.57203  
1 1 1 33 12 17 o 80.78882 5.456633  68.20624       6.232623  66.43365       12.46525  69.97882       12.46525  79.69178 7.820911  81.88586 7.611354  -2.194084      10.91327  
1 1 1 33 12 18 o 32.15528 9.376532  6.156383       7.080793  12.31277       14.16159  0.000000       14.16159  35.65483 13.84841  28.65573 12.64511  6.999100       18.75306  
1 1 1 33 12 19 o 30.06442 13.16127  3.135371       15.05741  3.135371       15.05741  ?              ?         30.06442 13.16127  ?        ?         ?              ?         
1 1 1 33 13 0  o 234.0292 3.263208  548.3088       15.26707  548.3088       15.26707  548.3088       15.26707  234.0292 3.263208  234.0292 3.263208  0.000000       0.000000  
1 1 1 33 13 1  o 77.03850 2.512478  59.66259       2.720816  67.19606       5.441632  52.12912       5.441632  81.92792 3.320988  72.14908 3.771103  9.778839       5.024955  
1 1 1 33 13 2  o 204.9149 1.590358  420.4590       4.602992  396.2099       9.205984  444.7081       9.205984  198.9981 2.313084  210.8318 2.183253  -11.83372      3.180715  
1 1 1 33 13 3  o 118.8556 1.777522  141.3538       2.987656  139.8338       5.975312  142.8738       5.975312  118.2161 2.527283  119.4950 2.500235  -1.278893      3.555043  
1 1 1 33 13 4  o 289.3784 1.882105  838.8071       7.690712  785.5677       15.38142  892.0466       15.38142  280.1794 2.744924  298.5773 2.575786  -18.39786      3.764211  
1 1 1 33 13 5  o 125.9313 1.841848  158.9223       3.273556  170.5966       6.547113  147.2481       6.547113  130.5665 2.507195  121.2962 2.698812  9.270325       3.683696  
1 1 1 33 13 6  o 49.41607 4.075313  24.64935       2.825646  21.10896       5.651292  28.18975       5.651292  45.83384 6.164979  52.99830 5.331579  -7.164463      8.150626  
1 1 1 33 13 7  o 181.5648 1.803781  329.9431       4.631582  329.0329       9.263164  330.8531       9.263164  181.3142 2.554451  181.8155 2.547408  -0.5012665     3.607562  
1 1 1 33 13 8  o 175.2456 1.797496  307.8429       4.445747  330.4815       8.891494  285.2044       8.891494  181.7047 2.446689  168.7865 2.633947  12.91818       3.594991  
1 1 1 33 13 9  o 95.60841 2.581491  92.10271       3.464156  79.12762       6.928313  105.0778       6.928313  88.82286 3.900073  102.3940 3.383165  -13.57109      5.162981  
1 1 1 33 13 10 o 90.57554 3.003208  82.37736       3.845356  85.06481       7.690712  79.68989       7.690712  92.05908 4.177052  89.09200 4.316164  2.967087       6.006417  
1 1 1 33 13 11 o 30.25331 6.647790  9.334639       3.168726  10.89279       6.337452  7.776483       6.337452  32.21614 9.311217  28.29047 9.490716  3.925667       13.29558  
1 1 1 33 13 12 o 61.66686 4.443397  38.67276       3.854887  34.18413       7.709774  43.16138       7.709774  58.02744 6.643213  65.30628 5.902781  -7.278839      8.886793  
1 1 1 33 13 13 o 112.6061 3.008604  127.7116       4.788827  132.2955       9.577654  123.1277       9.577654  114.6415 4.177219  110.5707 4.331007  4.070763       6.017208  
1 1 1 33 13 14 o 122.7852 2.660240  151.8463       4.617287  146.6286       9.234573  157.0640       9.234573  120.6605 3.826676  124.9099 3.696493  -4.249420      5.320480  
1 1 1 33 13 15 f 49.97372 6.570670  26.56965       4.531517  29.79079       9.063033  23.34851       9.063033  53.62260 8.450759  46.32484 10.06377  7.297760       13.14134  
1 1 1 33 13 16 o 119.4928 3.424110  144.9132       5.784712  140.9964       11.56942  148.8301       11.56942  117.8538 4.908379  121.1317 4.775556  -3.277885      6.848220  
1 1 1 33 13 17 o 48.73804 8.110520  27.09380       6.037257  12.59866       12.07451  41.58894       12.07451  35.27100 12.99720  62.20507 9.705410  -26.93407      16.22104  
1 1 1 33 13 18 o 48.68285 9.878434  29.07604       7.357163  21.49969       14.71433  36.65240       14.71433  42.33084 14.46146  55.03485 13.46106  -12.70401      19.75687  
1 1 1 33 13 19 o 32.86415 13.63177  10.16851       14.69527  10.16851       14.69527  ?              ?         32.86415 13.63177  ?        ?         ?              ?         
1 1 1 33 14 0  f 66.62895 5.701179  45.42953       7.490582  45.42953       7.490582  45.42953       7.490582  66.62895 5.701179  66.62895 5.701179  0.000000       0.000000  
1 1 1 33 14 1  o 354.7984 2.200750  1260.124       11.04051  1232.534       22.08102  1287.713       22.08102  350.9104 3.146248  358.6865 3.078039  -7.776062      4.401499  
1 1 1 33 14 2  o 51.34616 3.436651  26.44576       2.492096  28.03727       4.984192  24.85425       4.984192  52.89595 4.711318  49.79638 5.004573  3.099571       6.873301  
1 1 1 33 14 3  o 179.6237 1.583173  322.8003       4.021661  321.7615       8.043323  323.8391       8.043323  179.3346 2.242547  179.9129 2.235338  -0.5783081     3.166347  
1 1 1 33 14 4  o 229.5595 1.708978  527.7097       5.541698  557.0192       11.08340  498.4001       11.08340  235.9433 2.348741  223.1756 2.483111  12.76772       3.417956  
1 1 1 33 14 5  o 35.73127 5.454737  13.36106       2.677931  13.23717       5.355862  13.48496       5.355862  35.55996 7.746086  35.90257 7.682107  -0.3426132     10.90947  
1 1 1 33 14 6  o 298.2654 2.145214  890.6456       9.048738  892.0369       18.09748  889.2542       18.09748  298.4986 3.031417  298.0321 3.036162  0.4664917      4.290428  
1 1 1 33 14 7  o 65.10078 3.400489  42.52765       3.130606  42.92313       6.261212  42.13215       6.261212  65.40454 4.786528  64.79703 4.831404  0.6075134      6.800979  
1 1 1 33 14 8  o 143.8773 1.957538  207.4205       3.978776  196.3276       7.957553  218.5134       7.957553  140.0223 2.841531  147.7323 2.693235  -7.709991      3.915075  
1 1 1 33 14 9  o 114.6465 2.519231  133.0293       4.026426  107.3555       8.052853  158.7032       8.052853  103.4495 3.892167  125.8434 3.199553  -22.39392      5.038462  
1 1 1 33 14 10 o 173.9220 2.008464  303.2018       4.936542  289.9885       9.873084  316.4152       9.873084  170.1234 2.901742  177.7207 2.777697  -7.597290      4.016928  
1 1 1 33 14 11 o 222.3448 2.025145  495.6888       6.366043  509.5788       12.73209  481.7989       12.73209  225.4684 2.823475  219.2213 2.903934  6.247055       4.050290  
1 1 1 33 14 12 o 158.5383 2.238610  252.5975       5.008017  271.9101       10.01603  233.2849       10.01603  164.6291 3.042000  152.4475 3.285077  12.18163       4.477219  
1 1 1 33 14 13 o 75.53522 3.999775  58.01866       4.240851  49.96581       8.481703  66.07152       8.481703  70.20470 6.040695  80.86575 5.244311  -10.66106      7.999550  
1 1 1 33 14 14 o 108.8068 3.087781  119.6111       4.745942  113.0830       9.491883  126.1391       9.491883  105.8070 4.485471  111.8067 4.244776  -5.999672      6.175562  
1 1 1 33 14 15 o 99.75369 3.637024  100.9227       5.127142  105.2970       10.25428  96.54847       10.25428  101.9462 5.029261  97.56115 5.255311  4.385086       7.274047  
1 1 1 33 14 16 o 140.2608 3.009896  199.1676       5.965783  208.0972       11.93157  190.2379       11.93157  143.4441 4.158961  137.0776 4.352120  6.366440       6.019793  
1 1 1 33 14 17 o 91.67956 5.202038  88.30979       6.647178  71.76093       13.29436  104.8586       13.29436  82.65418 8.042155  100.7049 6.600647  -18.05075      10.40408  
1 1 1 33 14 18 o 42.16998 14.24441  21.71888       14.27595  21.71888       14.27595  ?              ?         42.16998 14.24441  ?        ?         ?              ?         
1 1 1 33 14 19 o 41.17747 15.01460  25.57853       16.07712  25.57853       16.07712  ?              ?         41.17747 15.01460  ?        ?         ?              ?         
1 1 1 33 15 0  o 462.7298 5.257413  2144.756       48.64114  2144.756       48.64114  2144.756       48.64114  462.7298 5.257413  462.7298 5.257413  0.000000       0.000000  
1 1 1 33 15 1  o 146.0667 1.697014  213.6007       3.502276  203.0081       7.004553  224.1933       7.004553  142.4408 2.458759  149.6927 2.339644  -7.251877      3.394029  
1 1 1 33 15 2  o 138.5673 1.651322  192.3202       3.230671  179.6024       6.461343  205.0380       6.461343  133.9783 2.411340  143.1563 2.256744  -9.178070      3.302643  
1 1 1 33 15 3  o 150.4038 1.548136  226.3423       3.292616  222.7162       6.585233  229.9685       6.585233  149.1984 2.206872  151.6093 2.171777  -2.410950      3.096272  
1 1 1 33 15 4  o 213.4352 1.639819  456.0631       4.946072  476.1476       9.892144  435.9786       9.892144  218.1403 2.267382  208.7301 2.369601  9.410110       3.279639  
1 1 1 33 15 5  o 90.89220 2.339184  82.72997       3.006716  83.48283       6.013433  81.97710       6.013433  91.30635 3.292998  90.47804 3.323145  0.8283081      4.678368  
1 1 1 33 15 6  o 132.6773 1.961757  176.4385       3.673816  163.8017       7.347633  189.0753       7.347633  127.9151 2.872075  137.4395 2.673042  -9.524452      3.923515  
1 1 1 33 15 7  o 67.85292 3.342034  46.24911       3.202081  43.31387       6.404162  49.18435       6.404162  65.68998 4.874536  70.01586 4.573365  -4.325882      6.684068  
1 1 1 33 15 8  o 164.9882 1.927833  272.5819       4.498162  273.5492       8.996324  271.6147       8.996324  165.2813 2.721519  164.6950 2.731207  0.5862885      3.855665  
1 1 1 33 15 9  o 136.0122 2.154962  185.4825       4.140787  175.7619       8.281574  195.2031       8.281574  132.4388 3.126567  139.5856 2.966485  -7.146851      4.309925  
1 1 1 33 15 10 o 288.2902 2.081149  833.8706       8.472174  781.2411       16.94435  886.5000       16.94435  279.1623 3.034856  297.4180 2.848575  -18.25571      4.162298  
1 1 1 33 15 11 o 34.00845 6.626739  12.03640       3.478451  6.604293       6.956903  17.46850       6.956903  27.45938 9.890109  40.55751 8.822721  -13.09813      13.25348  
1 1 1 33 15 12 f 38.61215 6.602854  15.98658       3.578516  14.03770       7.157033  17.93547       7.157033  36.22716 9.687199  40.99714 8.974905  -4.769981      13.20571  
1 1 1 33 15 13 o 32.25388 8.045061  9.711075       4.612522  7.376224       9.225043  12.04593       9.225043  30.04788 11.30387  34.45989 11.45053  -4.412014      16.09012  
1 1 1 33 15 14 o 87.81567 3.737121  78.16985       4.641112  78.45100       9.282224  77.88872       9.282224  87.97574 5.275445  87.65559 5.294713  0.3201447      7.474243  
1 1 1 33 15 15 o 25.54013 7.408736  -4.093137      5.141437  -18.81223      10.28287  10.62595       10.28287  17.69261 8.658924  33.38764 12.02416  -15.69503      14.81747  
1 1 1 33 15 16 o 49.57422 8.138745  27.67037       5.608407  25.50229       11.21681  29.83844       11.21681  47.46732 11.84131  51.68111 11.16871  -4.213791      16.27749  
1 1 1 33 15 17 o 76.29239 5.756594  63.15057       5.875248  40.81701       11.75050  85.48414       11.75050  61.65557 9.529143  90.92921 6.461342  -29.27365      11.51319  
1 1 1 33 15 18 o 51.38796 14.41375  33.34548       15.41002  33.34548       15.41002  ?              ?         51.38796 14.41375  ?        ?         ?              ?         
1 1 1 33 16 0  o 214.2691 3.393259  459.7274       14.53326  459.7274       14.53326  459.7274       14.53326  214.2691 3.393259  214.2691 3.393259  0.000000       0.000000  
1 1 1 33 16 1  o 125.5417 1.873118  158.3124       3.306911  139.0046       6.613823  177.6202       6.613823  117.8519 2.805988  133.2315 2.482079  -15.37959      3.746236  
1 1 1 33 16 2  o 144.3003 1.641036  209.1026       3.330736  234.1617       6.661473  184.0434       6.661473  152.9833 2.177190  135.6173 2.455981  17.36595       3.282072  
1 1 1 33 16 3  o 48.22893 3.754696  23.52481       2.530216  19.35544       5.060432  27.69419       5.060432  43.90644 5.762744  52.55141 4.814744  -8.644970      7.509393  
1 1 1 33 16 4  f 168.0162 1.722623  282.5074       4.093137  282.2883       8.186274  282.7266       8.186274  167.9510 2.437103  168.0814 2.435211  -0.1304626     3.445246  
1 1 1 33 16 5  o 260.7834 1.922793  681.6907       7.076028  733.2957       14.15206  630.0857       14.15206  270.6776 2.614190  250.8891 2.820380  19.78847       3.845587  
1 1 1 33 16 6  o 210.4609 1.709089  444.3079       5.069962  486.0397       10.13992  402.5759       10.13992  220.3753 2.300604  200.5465 2.528074  19.82883       3.418177  
1 1 1 33 16 7  o 137.6272 1.990110  190.1093       3.859652  208.5737       7.719304  171.6449       7.719304  144.3353 2.674087  130.9191 2.948121  13.41624       3.980221  
1 1 1 33 16 8  o 271.8664 1.994679  740.4432       7.666887  720.0109       15.33377  760.8755       15.33377  268.1086 2.859620  275.6242 2.781646  -7.515594      3.989358  
1 1 1 33 16 9  o 129.8671 2.169671  169.1671       3.978776  179.8884       7.957553  158.4458       7.957553  133.9948 2.969351  125.7393 3.164307  8.255554       4.339341  
1 1 1 33 16 10 o 199.0530 1.994632  397.4727       5.608407  375.3678       11.21681  419.5775       11.21681  193.5005 2.898394  204.6055 2.741083  -11.10503      3.989263  
1 1 1 33 16 11 o 92.02649 3.116765  85.45078       4.040722  94.03255       8.081444  76.86901       8.081444  96.68916 4.179085  87.36383 4.625165  9.325325       6.233531  
1 1 1 33 16 12 o 48.74042 6.552709  26.03121       4.345681  13.98051       8.691362  38.08190       8.691362  36.34742 11.01004  61.13343 7.108520  -24.78601      13.10542  
1 1 1 33 16 13 o 183.4757 2.191551  338.1246       5.684648  348.0453       11.36929  328.2038       11.36929  186.1792 3.053320  180.7721 3.144649  5.407104       4.383101  
1 1 1 33 16 14 o 85.41058 3.981343  74.41027       4.774532  64.30846       9.549064  84.51208       9.549064  79.49692 6.005934  91.32426 5.228109  -11.82734      7.962686  
1 1 1 33 16 15 o 151.1667 2.795557  230.5213       5.975312  225.4894       11.95062  235.5531       11.95062  149.5024 3.996800  152.8311 3.909750  -3.328659      5.591115  
1 1 1 33 16 16 o 119.9715 3.699014  146.6668       6.270743  139.9005       12.54149  153.4331       12.54149  117.1515 5.352678  122.7914 5.106825  -5.639931      7.398028  
1 1 1 33 16 17 o 108.4002 4.410949  121.9269       6.728183  108.3371       13.45637  135.5166       13.45637  102.1319 6.587738  114.6686 5.867503  -12.53668      8.821898  
1 1 1 33 16 18 o 42.42802 14.59544  22.14773       15.00023  22.14773       15.00023  ?              ?         42.42802 14.59544  ?        ?         ?              ?         
1 1 1 33 17 0  o 162.7445 3.387927  265.3820       11.01669  265.3820       11.01669  265.3820       11.01669  162.7445 3.387927  162.7445 3.387927  0.000000       0.000000  
1 1 1 33 17 1  o 65.05080 2.892349  42.52288       2.649341  47.06869       5.298682  37.97707       5.298682  68.54485 3.865121  61.55675 4.303900  6.988098       5.784697  
1 1 1 33 17 2  o 123.9230 1.747776  153.9763       3.054366  167.3278       6.108732  140.6247       6.108732  129.3100 2.362049  118.5360 2.576742  10.77405       3.495551  
1 1 1 33 17 3  o 187.8109 1.729742  353.0390       4.593462  345.3673       9.186924  360.7106       9.186924  185.7685 2.472680  189.8533 2.419480  -4.084778      3.459484  
1 1 1 33 17 4  o 232.6304 1.762675  541.5901       5.799007  541.7521       11.59801  541.4281       11.59801  232.6652 2.492426  232.5956 2.493172  0.6964111E-01  3.525350  
1 1 1 33 17 5  o 172.0387 1.821851  296.3022       4.431452  303.9214       8.862904  288.6829       8.862904  174.2531 2.543112  169.8243 2.609433  4.428802       3.643702  
1 1 1 33 17 6  o 71.31433 3.238045  51.14277       3.254497  56.00784       6.508993  46.27770       6.508993  74.72533 4.355278  67.90333 4.792838  6.822006       6.476090  
1 1 1 33 17 7  f 173.8283 1.870317  303.3639       4.579167  334.8081       9.158334  271.9196       9.158334  182.8730 2.504015  164.7837 2.778895  18.08925       3.740635  
1 1 1 33 17 8  o 46.75562 5.327673  22.12867       3.521337  22.85295       7.042673  21.40439       7.042673  47.53015 7.408638  45.98108 7.658230  1.549076       10.65535  
1 1 1 33 17 9  o 130.8041 2.253809  171.6497       4.164612  180.9271       8.329224  162.3722       8.329224  134.3504 3.099813  127.2578 3.272579  7.092644       4.507617  
1 1 1 33 17 10 o 194.0572 2.020429  377.6455       5.541698  363.0264       11.08340  392.2645       11.08340  190.2905 2.912230  197.8239 2.801329  -7.533356      4.040857  
1 1 1 33 17 11 o 141.0415 2.392676  200.4589       4.745942  176.2003       9.491883  224.7175       9.491883  132.4417 3.583420  149.6414 3.171544  -17.19965      4.785352  
1 1 1 33 17 12 o 76.97086 4.130511  60.07238       4.488632  64.04163       8.977263  56.10313       8.977263  79.54927 5.642581  74.39245 6.033720  5.156822       8.261023  
1 1 1 33 17 13 o 28.50591 7.515611  2.296731       4.884127  -10.13039      9.768253  14.72386       9.768253  19.88164 9.367107  37.13018 11.75563  -17.24854      15.03122  
1 1 1 33 17 14 o 74.19925 4.400900  56.13172       4.617287  57.26580       9.234573  54.99765       9.234573  74.96346 6.159384  73.43504 6.287580  1.528419       8.801800  
1 1 1 33 17 15 o 70.00238 5.449765  50.82828       5.384452  47.25929       10.76890  54.39726       10.76890  67.45319 7.982501  72.55157 7.421552  -5.098381      10.89953  
1 1 1 33 17 16 o 37.85078 9.088231  15.34807       5.994372  20.92789       11.98874  9.768253       11.98874  42.57876 12.93767  33.12279 12.76717  9.455971       18.17646  
1 1 1 33 17 17 o 72.42191 6.463587  56.97514       6.480402  69.46420       12.96080  44.48606       12.96080  81.04436 7.996119  63.79947 10.15746  17.24488       12.92717  
1 1 1 33 17 18 o 43.42934 14.12983  23.72018       14.04722  23.72018       14.04722  ?              ?         43.42934 14.12983  ?        ?         ?              ?         
1 1 1 33 18 0  o 19.76156 11.62024  4.736412       7.633533  4.736412       7.633533  4.736412       7.633533  19.76156 11.62024  19.76156 11.62024  0.000000       0.000000  
1 1 1 33 18 1  o 143.0583 1.741881  205.1047       3.516572  220.5433       7.033143  189.6661       7.033143  148.4542 2.368793  137.6624 2.554490  10.79182       3.483762  
1 1 1 33 18 2  o 183.3306 1.724174  336.3853       4.469572  329.6714       8.939144  343.0992       8.939144  181.4995 2.462581  185.1617 2.413875  -3.662155      3.448347  
1 1 1 33 18 3  o 213.4616 1.850583  456.1584       5.584582  470.1055       11.16916  442.2112       11.16916  216.7285 2.576764  210.1947 2.656862  6.533798       3.701166  
1 1 1 33 18 4  o 156.8729 1.762538  246.8271       3.897772  269.5181       7.795544  224.1362       7.795544  164.1052 2.375167  149.6406 2.604755  14.46455       3.525077  
1 1 1 33 18 5  o 44.68623 5.295286  20.82306       3.192551  15.47673       6.385102  26.16939       6.385102  38.37334 8.542391  50.99911 6.260014  -12.62576      10.59057  
1 1 1 33 18 6  o 90.67543 2.679504  82.42976       3.435566  80.84303       6.871132  84.01651       6.871132  89.80047 3.825778  91.55038 3.752651  -1.749916      5.359008  
1 1 1 33 18 7  o 59.14867 4.083609  35.25148       3.411741  33.25972       6.823483  37.24326       6.823483  57.46497 5.937080  60.83236 5.608432  -3.367390      8.167217  
1 1 1 33 18 8  o 132.2857 2.099250  175.3521       3.926362  179.7263       7.852723  170.9778       7.852723  133.9391 2.931453  130.6324 3.005657  3.306686       4.198499  
1 1 1 33 18 9  o 64.74333 3.956718  42.66583       3.573751  34.67968       7.147503  50.65197       7.147503  58.57579 6.101073  70.91087 5.039779  -12.33508      7.913435  
1 1 1 33 18 10 o 37.24053 5.822022  12.57484       4.026426  30.46742       8.052853  -5.317742      8.052853  54.74136 7.355364  19.73970 9.026760  35.00166       11.64404  
1 1 1 33 18 11 o 100.5372 3.055029  101.8662       4.336152  108.7373       8.672303  94.99508       8.672303  103.9544 4.171204  97.12003 4.464735  6.834412       6.110057  
1 1 1 33 18 12 o 136.2612 2.697296  187.4790       5.165262  163.4777       10.33052  211.4803       10.33052  127.4540 4.052647  145.0683 3.560574  -17.61420      5.394593  
1 1 1 33 18 13 o 86.62173 4.099492  76.51164       4.998487  84.89328       9.996975  68.13000       9.996975  91.45980 5.465229  81.78365 6.111841  9.676147       8.198983  
1 1 1 33 18 14 o 80.99739 4.639767  67.34853       5.279623  76.06850       10.55925  58.62859       10.55925  86.38025 6.112072  75.61452 6.982286  10.76572       9.279533  
1 1 1 33 18 15 o 31.26947 8.087909  5.160497       5.508343  -7.776483      11.01669  18.09748       11.01669  22.30527 10.34167  40.23367 12.43812  -17.92840      16.17582  
1 1 1 33 18 16 o 43.21435 9.216400  21.71888       6.099203  20.94695       12.19841  22.49081       12.19841  42.48960 13.07866  43.93909 12.98910  -1.449493      18.43280  
1 1 1 33 18 17 o 43.99926 9.067031  22.65758       6.547113  34.67968       13.09423  10.63548       13.09423  54.19190 12.35190  33.80661 13.27685  20.38528       18.13406  
1 1 1 33 18 18 o 25.39937 11.87180  -6.975962      14.89540  -6.975962      14.89540  ?              ?         25.39937 11.87180  ?        ?         ?              ?         
1 1 1 33 19 0  o 22.00710 12.24601  6.785362       7.871783  6.785362       7.871783  6.785362       7.871783  22.00710 12.24601  22.00710 12.24601  0.000000       0.000000  
1 1 1 33 19 1  o 98.04911 2.230571  96.26733       3.092486  98.21622       6.184973  94.31846       6.184973  99.04294 3.122369  97.05528 3.186314  1.987656       4.461142  
1 1 1 33 19 2  o 71.16899 2.917380  50.77586       2.935241  49.21294       5.870482  52.33878       5.870482  70.07095 4.188955  72.26702 4.061661  -2.196068      5.834761  
1 1 1 33 19 3  o 81.51843 2.764032  67.11028       3.149666  55.41697       6.299332  78.80360       6.299332  74.34624 4.236483  88.69062 3.551296  -14.34438      5.528064  
1 1 1 33 19 4  o 128.4849 2.124551  166.0174       3.835827  144.4749       7.671653  187.5600       7.671653  120.1016 3.193817  136.8682 2.802569  -16.76662      4.249102  
1 1 1 33 19 5  o 191.6294 1.786838  367.6675       4.841242  358.3281       9.682484  377.0069       9.682484  189.1925 2.558897  194.0662 2.494634  -4.873672      3.573675  
1 1 1 33 19 6  o 52.43401 4.329289  27.81808       3.187786  31.58243       6.375573  24.05373       6.375573  56.02362 5.690076  48.84441 6.526410  7.179214       8.658579  
1 1 1 33 19 7  o 71.51476 3.267175  51.59068       3.283086  44.88632       6.566173  58.29503       6.566173  66.82735 4.912788  76.20215 4.308391  -9.374794      6.534349  
1 1 1 33 19 8  o 95.50772 2.741388  91.63575       3.697641  97.16791       7.395282  86.10358       7.395282  98.40391 3.757617  92.61153 3.992636  5.792374       5.482775  
1 1 1 33 19 9  o 149.1357 2.072148  223.0211       4.369507  217.9416       8.739014  228.1006       8.739014  147.4327 2.963730  150.8387 2.896808  -3.405975      4.144296  
1 1 1 33 19 10 o 84.42872 3.394058  72.48045       3.997837  86.03687       7.995674  58.92401       7.995674  92.45705 4.323994  76.40039 5.232744  16.05666       6.788117  
1 1 1 33 19 11 f 120.8354 2.852961  146.9241       4.874598  149.8688       9.749194  143.9793       9.749194  122.0539 3.993807  119.6169 4.075175  2.437012       5.705922  
1 1 1 33 19 12 o 158.2398 2.388604  252.0495       5.332037  231.6458       10.66407  272.4533       10.66407  151.7927 3.512710  164.6869 3.237682  -12.89418      4.777207  
1 1 1 33 19 13 o 48.52422 8.127497  26.03121       5.517872  30.18152       11.03574  21.88089       11.03574  52.59705 10.86116  44.45138 12.09380  8.145664       16.25499  
1 1 1 33 19 14 o 41.89010 8.142058  19.28396       5.189087  26.43623       10.37817  12.13170       10.37817  49.02038 10.87270  34.75982 12.12258  14.26056       16.28412  
1 1 1 33 19 15 o 54.00172 7.621342  33.52655       5.818067  52.51032       11.63613  14.54279       11.63613  70.90869 8.205013  37.09475 12.84590  33.81394       15.24268  
1 1 1 33 19 16 o 63.54675 7.614369  44.71001       6.656708  49.49884       13.31342  39.92118       13.31342  67.79460 9.818934  59.29890 11.64057  8.495701       15.22874  
1 1 1 33 19 17 o 62.48756 8.366691  47.36412       7.118913  70.03600       14.23783  24.69224       14.23783  80.45131 8.848722  44.52380 14.20233  35.92751       16.73338  
1 1 1 33 19 18 o 30.82943 13.46522  8.596063       15.68639  8.596063       15.68639  ?              ?         30.82943 13.46522  ?        ?         ?              ?         
1 1 1 33 20 0  o 95.80932 4.789991  92.63163       9.129744  92.63163       9.129744  92.63163       9.129744  95.80932 4.789991  95.80932 4.789991  0.000000       0.000000  
1 1 1 33 20 1  o 161.5994 1.703486  261.3699       3.893007  263.2187       7.786013  259.5211       7.786013  162.1714 2.400551  161.0273 2.417606  1.144089       3.406973  
1 1 1 33 20 2  o 118.4389 2.000997  140.5009       3.349797  145.8567       6.699593  135.1450       6.699593  120.6999 2.775309  116.1779 2.883334  4.522041       4.001994  
1 1 1 33 20 3  o 109.9163 2.156224  121.4980       3.330736  137.1367       6.661473  105.8593       6.661473  117.0302 2.846048  102.8024 3.239942  14.22787       4.312449  
1 1 1 33 20 4  o 232.3126 1.868270  541.1946       6.123027  584.7515       12.24605  497.6377       12.24605  241.6872 2.533451  222.9380 2.746516  18.74927       3.736539  
1 1 1 33 20 5  o 114.3499 2.168171  131.4426       3.487981  116.0087       6.975962  146.8764       6.975962  107.6014 3.241575  121.0984 2.880286  -13.49702      4.336342  
1 1 1 33 20 6  o 149.9295 2.043844  226.2471       4.302797  257.2434       8.605594  195.2507       8.605594  160.2665 2.684777  139.5925 3.082398  20.67395       4.087689  
1 1 1 33 20 7  f 198.0074 1.933822  392.8172       5.413042  405.5398       10.82608  380.0947       10.82608  201.2200 2.690111  194.7947 2.778845  6.425293       3.867645  
1 1 1 33 20 8  o 107.5900 2.693378  116.6044       4.078841  129.5795       8.157682  103.6293       8.157682  113.6199 3.589902  101.5601 4.016185  12.05975       5.386756  
1 1 1 33 20 9  o 125.4374 2.536327  158.8699       4.460042  134.8210       8.920084  182.9189       8.920084  115.8513 3.849798  135.0234 3.303162  -19.17210      5.072654  
1 1 1 33 20 10 o 41.51804 7.227580  18.58827       4.245616  15.46720       8.491233  21.70935       8.491233  38.00998 10.71176  45.02611 9.706171  -7.016129      14.45516  
1 1 1 33 20 11 o 121.9384 2.880686  150.9839       4.898422  179.7263       9.796844  122.2414       9.796844  133.7241 3.663082  110.1527 4.446936  23.57134       5.761372  
1 1 1 33 20 12 f 47.68334 6.764893  25.05438       4.479102  36.38555       8.958203  13.72320       8.958203  59.49007 7.529159  35.87661 11.24130  23.61346       13.52979  
1 1 1 33 20 13 o 176.8968 2.495480  315.0524       6.237388  299.8139       12.47478  330.2909       12.47478  172.5896 3.614000  181.2039 3.442192  -8.614319      4.990960  
1 1 1 33 20 14 o 56.52500 7.299852  35.72322       5.541698  50.36607       11.08340  21.08037       11.08340  69.69477 7.951382  43.35524 12.24446  26.33953       14.59970  
1 1 1 33 20 15 f 33.14626 8.779925  7.967083       6.089673  17.91641       12.17935  -1.982241      12.17935  40.06818 13.15691  26.22435 11.62945  13.84384       17.55985  
1 1 1 33 20 16 o 26.17330 8.120255  -6.246917      6.418458  8.548413       12.83692  -21.04225      12.83692  32.46355 13.01224  19.88305 9.717803  12.58050       16.24051  
1 1 1 33 20 17 o 25.37021 11.74530  -7.061733      14.14252  -7.061733      14.14252  ?              ?         25.37021 11.74530  ?        ?         ?              ?         
1 1 1 33 21 0  o 149.5261 3.666453  224.2219       10.94998  224.2219       10.94998  224.2219       10.94998  149.5261 3.666453  149.5261 3.666453  0.000000       0.000000  
1 1 1 33 21 1  o 141.8284 1.807893  201.3642       3.626166  202.2457       7.252333  200.4827       7.252333  142.1392 2.551138  141.5176 2.562342  0.6215515      3.615785  
1 1 1 33 21 2  o 172.0773 1.823690  298.2034       4.398098  344.1475       8.796194  252.2592       8.796194  185.4272 2.371873  158.7275 2.770848  26.69971       3.647379  
1 1 1 33 21 3  o 111.9212 2.144598  126.7967       3.340266  152.7278       6.680532  100.8656       6.680532  123.5057 2.704544  100.3366 3.329060  23.16911       4.289196  
1 1 1 33 21 4  o 78.65363 3.221745  63.87485       3.430801  42.83736       6.861602  84.91233       6.861602  65.28013 5.255507  92.02712 3.728033  -26.74699      6.443491  
1 1 1 33 21 5  o 83.54749 2.877623  70.07889       3.397446  73.21902       6.794893  66.93875       6.794893  85.42673 3.977030  81.66823 4.160059  3.758507       5.755246  
1 1 1 33 21 6  o 203.0758 1.904731  413.0351       5.470222  414.4313       10.94044  411.6389       10.94044  203.4195 2.689133  202.7320 2.698253  0.6874847      3.809463  
1 1 1 33 21 7  o 105.9136 2.732221  113.2974       4.055017  95.74795       8.110033  130.8470       8.110033  97.62882 4.153503  114.1985 3.550850  -16.56964      5.464442  
1 1 1 33 21 8  o 86.26387 3.483250  75.00113       4.245616  71.37020       8.491233  78.63206       8.491233  84.15932 5.044737  88.36842 4.804450  -4.209099      6.966499  
1 1 1 33 21 9  o 38.24105 7.387720  15.65780       4.145552  18.27855       8.291104  13.03705       8.291104  41.23020 10.11687  35.25191 10.76859  5.978291       14.77544  
1 1 1 33 21 10 o 31.46261 6.261653  6.242152       4.026426  21.68076       8.052853  -9.196454      8.052853  45.07745 9.250277  17.84778 8.441895  27.22967       12.52331  
1 1 1 33 21 11 o 31.95176 8.176792  8.896259       4.860302  12.72255       9.720604  5.069962       9.720604  35.32912 11.75406  28.57440 11.37021  6.754723       16.35358  
1 1 1 33 21 12 f 152.2627 2.517089  233.3517       5.417807  241.1377       10.83561  225.5656       10.83561  154.8195 3.499434  149.7060 3.618966  5.113541       5.034178  
1 1 1 33 21 13 o 75.69412 5.175920  59.68165       5.417807  73.67646       10.83561  45.68684       10.83561  84.93844 6.378510  66.44980 8.153234  18.48864       10.35184  
1 1 1 33 21 14 o 73.07539 5.492279  55.48368       5.675117  54.42585       11.35023  56.54151       11.35023  72.35160 7.843803  73.79919 7.689945  -1.447594      10.98456  
1 1 1 33 21 15 o 41.66571 9.068985  19.25537       6.366043  29.76220       12.73209  8.748544       12.73209  50.52850 12.62239  32.80291 13.02540  17.72559       18.13797  
1 1 1 33 21 16 o 31.11476 8.587898  -1.729697      6.918783  20.99460       13.83757  -24.45399      13.83757  42.07758 14.02398  20.15194 9.916454  21.92564       17.17580  
1 1 1 33 21 17 o 31.20927 13.45126  4.831712       15.25754  4.831712       15.25754  ?              ?         31.20927 13.45126  ?        ?         ?              ?         
1 1 1 33 22 0  o 256.8542 3.743595  660.9630       19.22202  660.9630       19.22202  660.9630       19.22202  256.8542 3.743595  256.8542 3.743595  0.000000       0.000000  
1 1 1 33 22 1  o 168.2151 1.819617  283.3842       4.326622  273.1966       8.653244  293.5717       8.653244  165.1870 2.619227  171.2433 2.526594  -6.056290      3.639234  
1 1 1 33 22 2  o 123.2823 2.047936  152.9375       3.545162  173.8844       7.090323  131.9906       7.090323  131.7778 2.690257  114.7867 3.088477  16.99105       4.095872  
1 1 1 33 22 3  o 86.83039 3.073412  77.78389       3.616637  103.1337       7.233273  52.43408       7.233273  101.4277 3.565729  72.23308 5.006898  29.19463       6.146824  
1 1 1 33 22 4  o 146.8152 1.988978  216.5121       4.112197  239.4318       8.224394  193.5925       8.224394  154.6208 2.659536  139.0096 2.958210  15.61121       3.977956  
1 1 1 33 22 5  o 92.37404 2.865671  86.03211       3.716702  74.20061       7.433403  97.86361       7.433403  85.96990 4.323259  98.77817 3.762675  -12.80827      5.731343  
1 1 1 33 22 6  o 96.53876 2.877025  93.60370       3.926362  90.59221       7.852723  96.61517       7.852723  94.97903 4.133925  98.09849 4.002469  -3.119453      5.754050  
1 1 1 33 22 7  o 99.30074 2.747603  99.35982       3.840591  110.3479       7.681183  88.37173       7.681183  104.8335 3.663517  93.76799 4.095845  11.06548       5.495207  
1 1 1 33 22 8  o 149.7428 2.306366  224.9796       4.884127  224.1266       9.768253  225.8325       9.768253  149.4580 3.267892  150.0276 3.255485  -0.5695953     4.612732  
1 1 1 33 22 9  o 73.76845 4.332509  55.60281       4.460042  65.85233       8.920084  45.35329       8.920084  80.71554 5.525630  66.82136 6.674575  13.89418       8.665018  
1 1 1 33 22 10 f 41.01838 7.734536  18.18325       4.636347  22.26209       9.272694  14.10441       9.272694  45.41131 10.42434  36.62546 11.42914  8.785851       15.46907  
1 1 1 33 22 11 f 56.83227 6.294508  35.26101       4.669702  21.64264       9.339403  48.87939       9.339403  44.49722 10.62559  69.16731 6.751314  -24.67009      12.58902  
1 1 1 33 22 12 o 116.1166 3.349013  137.3798       5.432102  161.8195       10.86420  112.9401       10.86420  126.6404 4.289391  105.5929 5.144384  21.04754       6.698027  
1 1 1 33 22 13 o 128.2788 3.360952  166.6131       6.094438  172.3596       12.18888  160.8665       12.18888  130.5187 4.669397  126.0389 4.835361  4.479774       6.721903  
1 1 1 33 22 14 o 100.9531 4.046103  104.1820       5.770417  98.74036       11.54083  109.6236       11.54083  98.25798 5.872722  103.6482 5.567309  -5.390259      8.092205  
1 1 1 33 22 15 o 75.80811 6.147778  61.94026       6.370807  79.20387       12.74161  44.67665       12.74161  87.19449 7.306434  64.42173 9.889222  22.77276       12.29556  
1 1 1 33 22 16 o 82.08254 6.838232  76.94524       7.090323  108.2990       14.18065  45.59154       14.18065  101.5748 6.980393  62.59024 11.76094  38.98460       13.67646  
1 1 1 33 22 17 o 100.0936 5.727761  110.2621       8.071913  99.35982       16.14383  121.1645       16.14383  94.64749 8.528397  105.5396 7.648230  -10.89214      11.45552  
1 1 1 33 23 0  f 99.15908 4.712836  99.20734       9.301284  99.20734       9.301284  99.20734       9.301284  99.15908 4.712836  99.15908 4.712836  0.000000       0.000000  
1 1 1 33 23 1  o 162.2381 1.961101  263.8620       4.493397  279.7437       8.986794  247.9802       8.986794  167.1327 2.688521  157.3435 2.855788  9.789154       3.922202  
1 1 1 33 23 2  o 139.0956 2.052893  194.1929       4.026426  177.0770       8.052853  211.3088       8.052853  132.9431 3.028685  145.2482 2.772101  -12.30511      4.105786  
1 1 1 33 23 3  o 258.0521 1.998085  667.1146       7.290452  682.0529       14.58090  652.1763       14.58090  260.9466 2.793849  255.1577 2.857234  5.788879       3.996171  
1 1 1 33 23 4  f 124.7030 2.265973  156.9163       3.954952  182.7664       7.909904  131.0661       7.909904  135.0677 2.928126  114.3383 3.458990  20.72935       4.531946  
1 1 1 33 23 5  o 123.1317 2.363524  152.8136       4.083606  130.9137       8.167212  174.7136       8.167212  114.2388 3.574623  132.0246 3.093065  -17.78580      4.727047  
1 1 1 33 23 6  o 160.3983 2.106914  258.2964       4.769767  277.0372       9.539534  239.5557       9.539534  166.2402 2.869201  154.5564 3.086102  11.68388       4.213827  
1 1 1 33 23 7  o 37.29298 7.152911  14.80010       3.888242  16.77281       7.776483  12.82739       7.776483  39.61349 9.845851  34.97248 10.37862  4.641018       14.30582  
1 1 1 33 23 8  o 167.8986 2.132010  282.8696       5.060432  291.8087       10.12086  273.9304       10.12086  170.5607 2.966939  165.2366 3.062538  5.324127       4.264019  
1 1 1 33 23 9  o 122.3500 2.718368  151.1363       4.674467  170.3869       9.348933  131.8857       9.348933  130.2171 3.589750  114.4830 4.083110  15.73405       5.436736  
1 1 1 33 23 10 o 164.6030 2.508064  272.3532       5.837128  278.8003       11.67426  265.9062       11.67426  166.5614 3.504490  162.6446 3.588884  3.916733       5.016128  
1 1 1 33 23 11 o 127.7612 2.939320  164.6880       5.308212  158.7889       10.61642  170.5871       10.61642  125.4526 4.231249  130.0699 4.081047  -4.617264      5.878641  
1 1 1 33 23 12 o 47.50547 7.843593  24.90190       5.189087  28.07539       10.37817  21.72841       10.37817  50.71239 10.57878  44.29855 11.58349  6.413841       15.68719  
1 1 1 33 23 13 o 103.9536 4.234085  110.5814       6.208797  119.4872       12.41759  101.6756       12.41759  108.2371 5.736293  99.67003 6.229353  8.567085       8.468170  
1 1 1 33 23 14 o 83.44576 5.161415  72.66151       6.032492  61.49711       12.06498  83.82591       12.06498  76.75614 7.859296  90.13537 6.692703  -13.37923      10.32283  
1 1 1 33 23 15 o 149.7985 3.491388  229.8971       7.361928  204.8570       14.72386  254.9371       14.72386  141.4406 5.204961  158.1564 4.654839  -16.71585      6.982775  
1 1 1 33 23 16 o 35.38812 13.59936  12.96080       13.58025  12.96080       13.58025  ?              ?         35.38812 13.59936  ?        ?         ?              ?         
1 1 1 33 24 0  o 125.2216 4.058151  157.5691       10.13992  157.5691       10.13992  157.5691       10.13992  125.2216 4.058151  125.2216 4.058151  0.000000       0.000000  
1 1 1 33 24 1  o 95.76658 2.533974  92.31715       3.411741  103.8008       6.823483  80.83350       6.823483  101.7622 3.352660  89.77093 3.800497  11.99130       5.067949  
1 1 1 33 24 2  o 229.2022 1.872833  526.1182       6.070612  526.9330       12.14122  525.3033       12.14122  229.3800 2.646531  229.0245 2.650639  0.3554993      3.745666  
1 1 1 33 24 3  o 193.4099 1.936516  375.2820       5.284387  404.8822       10.56877  345.6818       10.56877  201.0621 2.628237  185.7577 2.844775  15.30441       3.873032  
1 1 1 33 24 4  o 105.1411 2.567188  111.6583       3.778647  129.8368       7.557293  93.47981       7.557293  113.7859 3.320838  96.49632 3.915845  17.28961       5.134376  
1 1 1 33 24 5  o 131.9391 2.338402  174.7326       4.359977  182.4901       8.719954  166.9752       8.719954  134.8789 3.232512  128.9993 3.379845  5.879562       4.676803  
1 1 1 33 24 6  o 158.5625 2.188214  252.2640       4.903187  241.0042       9.806375  263.5237       9.806375  155.0119 3.163103  162.1130 3.024549  -7.101120      4.376427  
1 1 1 33 24 7  o 100.9815 3.037033  102.7811       4.326622  110.9960       8.653244  94.56622       8.653244  105.0490 4.118671  96.91395 4.464396  8.135025       6.074066  
1 1 1 33 24 8  o 52.22845 6.736907  29.11893       4.788827  21.32815       9.577654  36.90971       9.577654  44.38916 10.86208  60.06775 7.972376  -15.67859      13.47381  
1 1 1 33 24 9  o 140.4089 2.551339  198.2622       5.060432  187.4456       10.12086  209.0788       10.12086  136.5571 3.705725  144.2607 3.507837  -7.703598      5.102678  
1 1 1 33 24 10 o 127.0462 3.037063  162.9392       5.451162  171.3400       10.90232  154.5385       10.90232  130.3523 4.181868  123.7400 4.405335  6.612328       6.074125  
1 1 1 33 24 11 o 106.3337 3.826068  115.1272       5.718002  129.6652       11.43600  100.5892       11.43600  113.1697 5.052590  99.49766 5.746871  13.67207       7.652137  
1 1 1 33 24 12 o 42.89521 8.662622  20.43709       5.527402  22.10961       11.05480  18.76458       11.05480  44.53859 12.09832  41.25183 12.40141  3.286751       17.32524  
1 1 1 33 24 13 o 54.04120 8.729350  33.18824       6.528053  32.93570       13.05611  33.44078       13.05611  53.81754 12.38005  54.26486 12.31018  -0.4473267     17.45870  
1 1 1 33 24 14 o 98.64381 4.630834  100.9037       6.427987  112.1300       12.85597  89.67733       12.85597  104.3342 6.160962  92.95347 6.915275  11.38069       9.261667  
1 1 1 33 24 15 o 51.62598 8.528907  31.23935       6.551878  17.75440       13.10376  44.72431       13.10376  39.35662 13.63169  63.89534 10.25408  -24.53872      17.05781  
1 1 1 33 24 16 o 30.69687 13.30027  3.878712       15.06694  3.878712       15.06694  ?              ?         30.69687 13.30027  ?        ?         ?              ?         
1 1 1 33 25 0  o 51.35879 11.00579  30.00998       9.920734  30.00998       9.920734  30.00998       9.920734  51.35879 11.00579  51.35879 11.00579  0.000000       0.000000  
1 1 1 33 25 1  o 117.2605 2.299500  137.8753       3.812001  142.0066       7.624003  133.7441       7.624003  119.0220 3.202770  115.4989 3.300466  3.523155       4.599000  
1 1 1 33 25 2  o 63.87349 4.267992  42.00349       3.735762  30.20058       7.471523  53.80640       7.471523  54.63420 6.837771  73.11278 5.109588  -18.47858      8.535983  
1 1 1 33 25 3  o 218.2801 1.852477  477.4008       5.718002  484.6293       11.43600  470.1723       11.43600  219.9359 2.599850  216.6243 2.639595  3.311584       3.704953  
1 1 1 33 25 4  o 251.2713 2.056767  633.4927       7.299983  669.2064       14.59997  597.7790       14.59997  258.3779 2.825313  244.1647 2.989779  14.21318       4.113535  
1 1 1 33 25 5  o 19.84530 6.392271  -5.174793      4.002602  -7.852723      8.005203  -2.496861      8.005203  18.41088 8.628572  21.27973 9.433570  -2.868849      12.78454  
1 1 1 33 25 6  f 59.88879 4.911500  36.47609       4.155082  38.45356       8.310163  34.49862       8.310163  61.53975 6.751866  58.23783 7.134677  3.301918       9.822999  
1 1 1 33 25 7  o 140.5773 2.527110  198.6815       5.017547  187.0644       10.03509  210.2986       10.03509  136.4454 3.677330  144.7092 3.467331  -8.263840      5.054221  
1 1 1 33 25 8  o 82.35272 4.044735  68.90669       4.683997  77.25021       9.367994  60.56318       9.367994  87.41844 5.358134  77.28700 6.060524  10.13144       8.089471  
1 1 1 33 25 9  o 134.5374 2.667822  182.2328       5.069962  172.1023       10.13992  192.3631       10.13992  130.7725 3.876932  138.3023 3.665855  -7.529800      5.335644  
1 1 1 33 25 10 o 236.7512 2.242979  563.3185       7.509643  558.2962       15.01929  568.3409       15.01929  235.6905 3.186231  237.8119 3.157809  -2.121368      4.485958  
1 1 1 33 25 11 o 115.2159 3.268997  134.2587       5.322507  128.3215       10.64501  140.1959       10.64501  112.6394 4.725264  117.7925 4.518546  -5.153099      6.537995  
1 1 1 33 25 12 o 52.51479 8.073014  30.66279       5.827598  30.16246       11.65520  31.16311       11.65520  52.04581 11.50405  52.98376 11.32921  -0.9379425     16.14603  
1 1 1 33 25 13 o 77.95598 5.819539  65.18523       6.118262  86.75163       12.23652  43.61883       12.23652  91.78840 6.665617  64.12355 9.541366  27.66485       11.63908  
1 1 1 33 25 14 o 54.68990 8.069937  34.62251       6.232623  49.68944       12.46525  19.55557       12.46525  68.21676 9.136498  41.16304 13.30488  27.05372       16.13987  
1 1 1 33 25 15 o 29.94332 12.97526  3.040071       14.34266  3.040071       14.34266  ?              ?         29.94332 12.97526  ?        ?         ?              ?         
1 1 1 33 25 16 o 48.75780 13.93713  31.91599       14.27595  31.91599       14.27595  ?              ?         48.75780 13.93713  ?        ?         ?              ?         
1 1 1 33 26 0  o 119.0005 4.886935  142.8166       11.58848  142.8166       11.58848  142.8166       11.58848  119.0005 4.886935  119.0005 4.886935  0.000000       0.000000  
1 1 1 33 26 1  o 48.15445 5.603765  24.23956       3.664287  29.23805       7.328573  19.24108       7.328573  53.70369 6.823157  42.60521 8.891191  11.09848       11.20753  
1 1 1 33 26 2  o 150.5824 2.061885  227.4145       4.388567  235.9534       8.777133  218.8756       8.777133  153.4177 2.860535  147.7471 2.970323  5.670578       4.123770  
1 1 1 33 26 3  o 111.5725 2.559808  125.0384       4.035956  119.4109       8.071913  130.6659       8.071913  109.0506 3.700996  114.0943 3.537385  -5.043777      5.119616  
1 1 1 33 26 4  o 116.0466 2.678741  135.5023       4.383801  147.1909       8.767603  123.8138       8.767603  121.0827 3.620501  111.0104 3.949000  10.07230       5.357483  
1 1 1 33 26 5  o 61.50392 4.799245  38.47739       4.164612  35.48973       8.329224  41.46505       8.329224  59.07508 7.049693  63.93275 6.514050  -4.857670      9.598491  
1 1 1 33 26 6  o 90.95477 3.690116  84.99810       4.617287  62.58353       9.234573  107.4127       9.234573  78.63295 5.871949  103.2766 4.470798  -24.64365      7.380232  
1 1 1 33 26 7  o 65.88451 5.508544  46.93050       4.607757  27.37017       9.215513  66.49084       9.215513  50.72155 9.436848  81.04745 5.685258  -30.32590      11.01709  
1 1 1 33 26 8  o 258.1239 2.260069  669.0682       8.248219  685.9697       16.49644  652.1667       16.49644  261.3978 3.155428  254.8500 3.236500  6.547821       4.520139  
1 1 1 33 26 9  f 72.43161 5.332250  55.44557       5.212912  73.90517       10.42582  36.98595       10.42582  85.17440 6.120280  59.68882 8.733482  25.48558       10.66450  
1 1 1 33 26 10 o 208.4267 2.368285  436.8029       6.980727  435.4544       13.96145  438.1515       13.96145  208.1032 3.354455  208.7502 3.344058  -0.6470032     4.736570  
1 1 1 33 26 11 o 30.07158 8.148712  2.987656       5.613173  15.42908       11.22635  -9.453763      11.22635  38.12268 12.63167  22.02048 10.29791  16.10220       16.29742  
1 1 1 33 26 12 o 89.76897 5.148041  84.75508       6.351747  106.9457       12.70349  62.56448       12.70349  102.1288 6.219350  77.40913 8.205425  24.71968       10.29608  
1 1 1 33 26 13 o 42.68030 7.242238  17.37796       5.875248  -5.851423      11.75050  40.60735       11.75050  23.80898 10.89442  61.55161 9.545238  -37.74263      14.48448  
1 1 1 33 26 14 o 30.76445 9.149061  4.507691       6.852073  0.4765002E-01  13.70415  8.967733       13.70415  28.28582 12.46606  33.24308 13.39473  -4.957266      18.29812  
1 1 1 33 26 15 o 115.5988 4.480348  139.2191       7.323808  141.3967       14.64762  137.0415       14.64762  116.5407 6.284333  114.6570 6.387582  1.883766       8.960695  
1 1 1 33 27 0  o 111.5760 4.979528  125.6912       11.06433  125.6912       11.06433  125.6912       11.06433  111.5760 4.979528  111.5760 4.979528  0.000000       0.000000  
1 1 1 33 27 1  o 97.30362 2.836372  95.29527       3.893007  103.1528       7.786013  87.43779       7.786013  101.3412 3.841483  93.26601 4.174089  8.075233       5.672743  
1 1 1 33 27 2  o 96.43243 2.918778  93.49887       3.978776  90.32537       7.957553  96.67236       7.957553  94.78699 4.197598  98.07789 4.056752  -3.290901      5.837556  
1 1 1 33 27 3  o 153.1344 2.287209  235.3720       4.950837  243.8918       9.901674  226.8522       9.901674  155.9162 3.175319  150.3526 3.292818  5.563629       4.574418  
1 1 1 33 27 4  o 168.4908 2.181998  284.8614       5.198617  279.5150       10.39723  290.2077       10.39723  166.9042 3.114730  170.0773 3.056620  -3.173080      4.363997  
1 1 1 33 27 5  o 129.1750 2.663872  167.8377       4.860302  158.1981       9.720604  177.4772       9.720604  125.4438 3.874486  132.9062 3.656941  -7.462433      5.327744  
1 1 1 33 27 6  o 122.7600 2.815827  151.7891       4.879362  141.1298       9.758724  162.4484       9.758724  118.4185 4.120439  127.1015 3.838948  -8.683044      5.631654  
1 1 1 33 27 7  o 104.4377 3.527018  110.5195       5.179556  97.04402       10.35911  123.9949       10.35911  97.98630 5.286002  110.8891 4.670933  -12.90283      7.054037  
1 1 1 33 27 8  o 108.3476 3.474389  119.0965       5.298682  105.9451       10.59736  132.2478       10.59736  102.2786 5.180638  114.4167 4.631038  -12.13815      6.948779  
1 1 1 33 27 9  o 124.7079 3.323669  157.4500       5.846657  170.3393       11.69331  144.5606       11.69331  129.8757 4.501734  119.5401 4.890961  10.33562       6.647338  
1 1 1 33 27 10 o 117.7751 3.563128  140.5676       5.932428  145.0181       11.86486  136.1171       11.86486  119.6646 4.957548  115.8857 5.119204  3.778816       7.126256  
1 1 1 33 27 11 o 22.48996 7.458846  -10.58307      6.013433  -11.35023      12.02687  -9.815904      12.02687  22.20540 10.44201  22.77451 10.65372  -0.5691166     14.91769  
1 1 1 33 27 12 o 80.08852 5.894554  67.34377       6.632883  58.88589       13.26577  75.80165       13.26577  74.80818 8.866521  85.36885 7.769676  -10.56067      11.78911  
1 1 1 33 27 13 o 75.75889 6.416849  61.82590       6.718653  76.02084       13.43731  47.63096       13.43731  85.12739 7.892468  66.39039 10.11992  18.73700       12.83370  
1 1 1 33 27 14 o 23.46976 7.807547  -10.61166      6.704357  -9.539534      13.40871  -11.68378      13.40871  23.83211 11.16895  23.10741 10.91264  0.7246971      15.61509  
1 1 1 33 27 15 o 21.63481 10.47357  -17.64957      14.01864  -17.64957      14.01864  ?              ?         21.63481 10.47357  ?        ?         ?              ?         
1 1 1 33 28 0  o 83.46638 6.730522  71.54174       11.09293  71.54174       11.09293  71.54174       11.09293  83.46638 6.730522  83.46638 6.730522  0.000000       0.000000  
1 1 1 33 28 1  o 152.9732 2.214707  234.8764       4.788827  243.4249       9.577654  226.3281       9.577654  155.7673 3.074347  150.1791 3.188744  5.588196       4.429413  
1 1 1 33 28 2  o 138.8972 2.247369  193.6687       4.412392  200.5780       8.824783  186.7595       8.824783  141.3844 3.120848  136.4100 3.234653  4.974365       4.494738  
1 1 1 33 28 3  o 22.66516 6.875525  -1.658221      4.145552  3.897772       8.291104  -7.214212      8.291104  26.21185 10.47783  19.11847 8.905418  7.093378       13.75105  
1 1 1 33 28 4  o 92.63803 3.320723  86.50385       4.350447  86.13218       8.700893  86.87551       8.700893  92.43743 4.706369  92.83864 4.686030  -0.4012070     6.641445  
1 1 1 33 28 5  o 84.27765 3.964965  72.37085       4.674467  60.26774       9.348933  84.47396       9.348933  77.09716 6.063086  91.45815 5.111045  -14.36098      7.929930  
1 1 1 33 28 6  o 35.45927 7.837448  12.74161       4.564872  7.223743       9.129744  18.25949       9.129744  29.85258 11.24238  41.06595 10.92297  -11.21337      15.67490  
1 1 1 33 28 7  f 167.4960 2.453015  282.3168       5.803772  298.0032       11.60754  266.6305       11.60754  172.1786 3.370786  162.8134 3.564678  9.365234       4.906030  
1 1 1 33 28 8  o 90.33464 3.982595  83.25888       5.050902  71.88482       10.10180  94.63293       10.10180  84.03913 6.010179  96.63016 5.227046  -12.59103      7.965190  
1 1 1 33 28 9  o 28.54373 8.306877  3.649991       5.427337  5.737062       10.85467  1.562921       10.85467  29.95254 11.98223  27.13491 11.50839  2.817623       16.61375  
1 1 1 33 28 10 o 155.5689 2.904442  244.2397       6.389868  242.4719       12.77974  246.0075       12.77974  155.0008 4.122475  156.1371 4.092473  -1.136337      5.808884  
1 1 1 33 28 11 o 60.20997 6.693492  38.39639       5.698943  37.81505       11.39789  38.97771       11.39789  59.72721 9.541617  60.69272 9.389828  -0.9655075     13.38698  
1 1 1 33 28 12 o 31.10953 9.082833  5.818067       6.494698  5.003252       12.98940  6.632883       12.98940  30.61217 12.76420  31.60689 12.92542  -0.9947186     18.16567  
1 1 1 33 28 13 o 101.3139 4.838863  106.9695       6.933078  106.6979       13.86616  107.2411       13.86616  101.1798 6.852234  101.4479 6.834126  -0.2680817     9.677727  
1 1 1 33 28 14 o 106.7292 4.885273  119.5968       7.371458  122.8608       14.74292  116.3327       14.74292  108.2583 6.809138  105.2001 7.007083  3.058228       9.770546  
1 1 1 33 29 0  o 28.10561 15.20695  11.91251       11.78861  11.91251       11.78861  11.91251       11.78861  28.10561 15.20695  28.10561 15.20695  0.000000       0.000000  
1 1 1 33 29 1  f 108.0272 2.872689  117.3906       4.388567  116.3042       8.777133  118.4770       8.777133  107.5244 4.081463  108.5301 4.043642  -1.005692      5.745379  
1 1 1 33 29 2  f 79.60479 3.757758  64.06068       4.226557  67.18652       8.453114  60.93485       8.453114  81.56814 5.181627  77.64144 5.443686  3.926697       7.515516  
1 1 1 33 29 3  o 79.44963 3.842043  63.91297       4.307562  59.12415       8.615124  68.70181       8.615124  76.43587 5.635524  82.46338 5.223606  -6.027504      7.684087  
1 1 1 33 29 4  o 96.21902 3.488474  94.90456       4.631582  118.5818       9.263164  71.22725       9.263164  108.5229 4.267839  83.91517 5.519362  24.60770       6.976949  
1 1 1 33 29 5  o 92.98645 4.020712  89.67256       5.089022  117.2190       10.17804  62.12610       10.17804  107.7985 4.720864  78.17437 6.509835  29.62417       8.041425  
1 1 1 33 29 6  o 84.30122 4.796471  72.69011       5.703707  78.56535       11.40741  66.81486       11.40741  87.78590 6.497293  80.81654 7.057599  6.969353       9.592941  
1 1 1 33 29 7  o 30.31766 8.150891  5.041372       5.332037  -4.126492      10.66407  14.20924       10.66407  23.73630 10.68554  36.89901 12.31127  -13.16271      16.30178  
1 1 1 33 29 8  o 48.74435 7.449246  26.05503       5.160498  15.81028       10.32100  36.29978       10.32100  38.34053 12.07662  59.14817 8.724695  -20.80764      14.89849  
1 1 1 33 29 9  o 41.47559 7.895474  17.07777       5.775182  -0.1524801     11.55036  34.30801       11.55036  26.83105 11.63551  56.12012 10.67562  -29.28907      15.79095  
1 1 1 33 29 10 o 58.54190 7.560281  39.41610       5.932428  59.99138       11.86486  18.84082       11.86486  76.01083 7.804713  41.07296 12.95059  34.93787       15.12056  
1 1 1 33 29 11 o 26.40327 8.248223  -3.735762      6.318392  4.278972       12.63678  -11.75050      12.63678  30.14443 12.58078  22.66210 10.67036  7.482336       16.49645  
1 1 1 33 29 12 o 25.07680 8.117754  -7.095088      6.618587  -12.43666      13.23717  -1.753521      13.23717  22.94632 10.83928  27.20728 12.08725  -4.260963      16.23551  
1 1 1 33 29 13 o 79.53697 6.485978  68.78280       7.209448  80.03297       14.41890  57.53263       14.41890  86.60926 8.324108  72.46468 9.948913  14.14458       12.97196  
1 1 1 33 29 14 o 34.13572 13.98053  10.30193       15.21942  10.30193       15.21942  ?              ?         34.13572 13.98053  ?        ?         ?              ?         
1 1 1 33 30 0  o 72.98933 8.929605  56.39856       12.71302  56.39856       12.71302  56.39856       12.71302  72.98933 8.929605  72.98933 8.929605  0.000000       0.000000  
1 1 1 33 30 1  o 30.21496 7.356141  7.847958       4.083606  2.020361       8.167212  13.67556       8.167212  24.53281 10.16842  35.89710 10.63271  -11.36429      14.71228  
1 1 1 33 30 2  o 122.5129 2.808936  151.1173       4.860302  142.1972       9.720604  160.0374       9.720604  118.8724 4.088672  126.1533 3.852694  -7.280945      5.617873  
1 1 1 33 30 3  o 85.18518 3.865803  73.41438       4.655407  71.13195       9.310814  75.69682       9.310814  83.84549 5.552364  86.52488 5.380426  -2.679390      7.731606  
1 1 1 33 30 4  o 131.6367 2.862626  174.5039       5.327272  169.2147       10.65454  179.7930       10.65454  129.6277 4.109671  133.6457 3.986116  -4.017990      5.725252  
1 1 1 33 30 5  o 141.2632 2.831521  201.1069       5.656057  197.6046       11.31211  204.6092       11.31211  140.0236 4.039360  142.5029 3.969084  -2.479248      5.663043  
1 1 1 33 30 6  o 181.2567 2.456936  330.6245       6.294568  343.1564       12.58914  318.0924       12.58914  184.7137 3.407744  177.7997 3.540257  6.913925       4.913872  
1 1 1 33 30 7  o 102.0101 3.977590  105.9117       5.718002  116.0087       11.43600  95.81466       11.43600  106.9592 5.345968  97.06109 5.891138  9.898079       7.955179  
1 1 1 33 30 8  o 87.18280 4.905950  79.09904       5.899073  98.72131       11.79815  59.47675       11.79815  98.43633 5.992780  75.92928 7.769168  22.50705       9.811900  
1 1 1 33 30 9  o 38.96419 7.498023  11.30258       5.927662  -12.15075      11.85532  34.75592       11.85532  21.72380 10.25998  56.20457 10.93683  -34.48077      14.99605  
1 1 1 33 30 10 o 70.93147 6.256702  52.91058       6.275507  52.02429       12.55101  53.79687       12.55101  70.30672 8.925900  71.55621 8.770039  -1.249496      12.51340  
1 1 1 33 30 11 o 98.60699 5.279836  101.6041       7.352398  107.5747       14.70480  95.63359       14.70480  101.6344 7.234160  95.57955 7.692438  6.054893       10.55967  
1 1 1 33 30 12 o 82.24945 6.379273  73.02366       7.333338  85.00764       14.66668  61.03968       14.66668  89.53460 8.190507  74.96431 9.782439  14.57029       12.75855  
1 1 1 33 30 13 o 38.75261 13.93195  17.43991       13.79945  17.43991       13.79945  ?              ?         38.75261 13.93195  ?        ?         ?              ?         
1 1 1 33 30 14 o 55.01605 14.51914  42.83736       16.21054  42.83736       16.21054  ?              ?         55.01605 14.51914  ?        ?         ?              ?         
1 1 1 33 31 0  o 19.52679 12.87897  -0.8577003     12.39854  -0.8577003     12.39854  -0.8577003     12.39854  19.52679 12.87897  19.52679 12.87897  0.000000       0.000000  
1 1 1 33 31 1  o 110.0695 3.160693  122.3414       4.907952  112.5493       9.815904  132.1335       9.815904  105.6214 4.646740  114.5177 4.285759  -8.896271      6.321386  
1 1 1 33 31 2  o 77.56554 4.362207  61.31128       4.765002  67.68208       9.530005  54.94047       9.530005  81.67226 5.834296  73.45881 6.486631  8.213455       8.724414  
1 1 1 33 31 3  o 110.7111 3.389031  123.9996       5.298682  131.5236       10.59736  116.4757       10.59736  114.1091 4.643524  107.3131 4.937593  6.796021       6.778063  
1 1 1 33 31 4  o 81.58102 4.267078  67.98228       4.898422  75.67776       9.796844  60.28680       9.796844  86.29749 5.676205  76.86456 6.372797  9.432922       8.534157  
1 1 1 33 31 5  o 62.85429 6.379910  41.94155       5.436867  33.56467       10.87373  50.31842       10.87373  55.79932 10.11587  69.90927 7.777033  -14.10995      12.75982  
1 1 1 33 31 6  o 74.34985 5.119169  56.72734       5.379687  58.83825       10.75937  54.61645       10.75937  75.76942 7.100077  72.93028 7.376480  2.839142       10.23834  
1 1 1 33 31 7  o 26.55146 8.104240  -0.1620101     5.608407  2.582631       11.21681  -2.906651      11.21681  28.11782 11.80050  24.98511 11.11140  3.132702       16.20848  
1 1 1 33 31 8  o 64.97364 7.316732  48.52678       6.032492  74.18155       12.06498  22.87201       12.06498  84.91042 7.104538  45.03687 12.79312  39.87355       14.63346  
1 1 1 33 31 9  o 71.51700 7.025654  57.26580       6.408928  80.63336       12.81786  33.89822       12.81786  88.27278 7.260366  54.76122 12.03023  33.51156       14.05131  
1 1 1 33 31 10 o 58.07919 8.625647  38.69658       6.866368  42.98985       13.73274  34.40331       13.73274  61.75336 11.54713  54.40502 12.81682  7.348339       17.25129  
1 1 1 33 31 11 o 58.32851 8.989434  39.74965       7.404812  29.36194       14.80962  50.13735       14.80962  49.21556 14.23685  67.44146 10.97962  -18.22590      17.97887  
1 1 1 33 31 12 o 32.87866 9.559228  8.191039       7.171328  10.39723       14.34266  5.984842       14.34266  34.17640 13.73118  31.58092 13.30301  2.595478       19.11846  
1 1 1 33 31 13 o 31.85876 13.62954  5.984842       15.45767  5.984842       15.45767  ?              ?         31.85876 13.62954  ?        ?         ?              ?         
1 1 1 33 32 0  o 27.96548 16.05501  11.35976       14.05676  11.35976       14.05676  11.35976       14.05676  27.96548 16.05501  27.96548 16.05501  0.000000       0.000000  
1 1 1 33 32 1  o 48.24368 6.977581  25.52135       4.693527  15.34331       9.387053  35.69939       9.387053  37.67071 11.44846  58.81665 7.979930  -21.14594      13.95516  
1 1 1 33 32 2  o 93.55659 3.798696  89.52962       4.960367  105.9069       9.920734  73.15231       9.920734  102.3092 4.848406  84.80397 5.849216  17.50525       7.597392  
1 1 1 33 32 3  o 80.89669 4.753469  68.98770       5.165262  93.16531       10.33052  44.81008       10.33052  95.84020 5.389452  65.95318 7.831711  29.88702       9.506939  
1 1 1 33 32 4  o 112.4375 3.459001  127.9832       5.494047  121.0882       10.98809  134.8781       10.98809  109.3714 5.023295  115.5036 4.756601  -6.132256      6.918002  
1 1 1 33 32 5  f 70.02104 6.280542  52.66280       5.808537  36.49992       11.61707  68.82569       11.61707  58.10774 10.36934  81.93435 7.089258  -23.82661      12.56108  
1 1 1 33 32 6  o 42.14226 8.844440  19.50315       5.784712  24.76848       11.56942  14.23783       11.56942  47.08671 12.19207  37.19780 12.81600  9.888912       17.68888  
1 1 1 33 32 7  o 37.37686 8.923027  13.56596       6.018198  22.31927       12.03640  4.812652       12.03640  44.52819 12.81988  30.22552 12.41500  14.30267       17.84605  
1 1 1 33 32 8  o 76.31145 6.232817  61.93074       6.580468  47.85968       13.16094  76.00179       13.16094  67.09196 9.808133  85.53094 7.693670  -18.43898      12.46563  
1 1 1 33 32 9  o 113.0971 4.431211  131.6046       7.076028  123.2229       14.15206  139.9862       14.15206  109.3916 6.468529  116.8026 6.058107  -7.411011      8.862423  
1 1 1 33 32 10 o 30.69312 9.003331  4.326622       6.594762  -1.610571      13.18952  10.26381       13.18952  27.25375 12.09200  34.13249 13.34255  -6.878744      18.00666  
1 1 1 33 32 11 o 59.92500 9.071152  42.36563       7.452463  40.66453       14.90493  44.06674       14.90493  58.51501 13.06929  61.33499 12.58319  -2.819981      18.14230  
1 1 1 33 32 12 o 79.18742 7.144339  69.75963       7.890843  57.72324       15.78169  81.79601       15.78169  71.58748 11.02266  86.78736 9.092157  -15.19988      14.28868  
1 1 1 33 32 13 o 47.39538 15.14324  34.34613       16.18195  34.34613       16.18195  ?              ?         47.39538 15.14324  ?        ?         ?              ?         
1 1 1 33 33 0  o 25.96367 16.97229  0.8577003E-01  20.94695  0.8577003E-01  20.94695  0.8577003E-01  20.94695  25.96367 16.97229  25.96367 16.97229  0.000000       0.000000  
1 1 1 33 33 1  o 40.75109 17.75351  25.14015       14.89540  25.14015       14.89540  25.14015       14.89540  40.75109 17.75351  40.75109 17.75351  0.000000       0.000000  
1 1 1 33 33 2  o 25.67999 15.49148  8.033793       14.18065  8.033793       14.18065  8.033793       14.18065  25.67999 15.49148  25.67999 15.49148  0.000000       0.000000  
1 1 1 33 33 3  o 72.18800 11.18720  56.25561       15.27660  56.25561       15.27660  56.25561       15.27660  72.18800 11.18720  72.18800 11.18720  0.000000       0.000000  
1 1 1 33 33 4  o 33.41154 17.55566  17.81158       15.35284  17.81158       15.35284  17.81158       15.35284  33.41154 17.55566  33.41154 17.55566  0.000000       0.000000  
1 1 1 33 33 5  o 104.9897 8.749771  114.6936       18.12607  114.6936       18.12607  114.6936       18.12607  104.9897 8.749771  104.9897 8.749771  0.000000       0.000000  
1 1 1 33 33 6  o 26.72740 16.75579  6.909253       18.08795  6.909253       18.08795  6.909253       18.08795  26.72740 16.75579  26.72740 16.75579  0.000000       0.000000  
1 1 1 33 33 7  o 56.31115 17.84223  42.48476       17.62098  42.48476       17.62098  42.48476       17.62098  56.31115 17.84223  56.31115 17.84223  0.000000       0.000000  
1 1 1 33 33 8  o 35.16737 19.29519  20.61340       19.19343  20.61340       19.19343  20.61340       19.19343  35.16737 19.29519  35.16737 19.29519  0.000000       0.000000  
1 1 1 33 33 9  o 74.76054 13.97781  64.58484       18.83129  64.58484       18.83129  64.58484       18.83129  74.76054 13.97781  74.76054 13.97781  0.000000       0.000000  
1 1 1 33 33 10 o 171.5772 6.642435  301.5198       22.71953  301.5198       22.71953  301.5198       22.71953  171.5772 6.642435  171.5772 6.642435  0.000000       0.000000  
1 1 1 34 0  0  o 61.88050 6.228424  39.47328       7.566823  39.47328       7.566823  39.47328       7.566823  61.88050 6.228424  61.88050 6.228424  0.000000       0.000000  
1 1 1 34 0  1  o 325.3238 4.087947  1059.565       26.58871  1059.565       26.58871  1059.565       26.58871  325.3238 4.087947  325.3238 4.087947  0.000000       0.000000  
1 1 1 34 0  2  o 205.8021 2.900086  423.9423       11.93157  423.9423       11.93157  423.9423       11.93157  205.8021 2.900086  205.8021 2.900086  0.000000       0.000000  
1 1 1 34 0  3  o 27.92838 9.343426  10.05415       4.641112  10.05415       4.641112  10.05415       4.641112  27.92838 9.343426  27.92838 9.343426  0.000000       0.000000  
1 1 1 34 0  4  o 92.16947 3.704230  85.41742       6.804423  85.41742       6.804423  85.41742       6.804423  92.16947 3.704230  92.16947 3.704230  0.000000       0.000000  
1 1 1 34 0  5  f 83.23423 5.252627  70.19801       8.672303  70.19801       8.672303  70.19801       8.672303  83.23423 5.252627  83.23423 5.252627  0.000000       0.000000  
1 1 1 34 0  6  o 338.7778 5.032227  1149.804       34.07929  1149.804       34.07929  1149.804       34.07929  338.7778 5.032227  338.7778 5.032227  0.000000       0.000000  
1 1 1 34 0  7  o 434.4818 6.032313  1892.716       52.39596  1892.716       52.39596  1892.716       52.39596  434.4818 6.032313  434.4818 6.032313  0.000000       0.000000  
1 1 1 34 0  8  o 95.48560 5.451608  92.23138       10.34005  92.23138       10.34005  92.23138       10.34005  95.48560 5.451608  95.48560 5.451608  0.000000       0.000000  
1 1 1 34 0  9  o 34.87268 13.54835  16.80140       8.958203  16.80140       8.958203  16.80140       8.958203  34.87268 13.54835  34.87268 13.54835  0.000000       0.000000  
1 1 1 34 0  10 o 140.3257 5.187068  198.1955       14.51420  198.1955       14.51420  198.1955       14.51420  140.3257 5.187068  140.3257 5.187068  0.000000       0.000000  
1 1 1 34 0  11 o 21.02502 14.34252  -7.900373      17.74487  -7.900373      17.74487  -7.900373      17.74487  21.02502 14.34252  21.02502 14.34252  0.000000       0.000000  
1 1 1 34 0  12 o 24.76731 15.33222  5.698943       14.66668  5.698943       14.66668  5.698943       14.66668  24.76731 15.33222  24.76731 15.33222  0.000000       0.000000  
1 1 1 34 0  13 o 113.8367 8.680837  133.4963       19.53651  133.4963       19.53651  133.4963       19.53651  113.8367 8.680837  113.8367 8.680837  0.000000       0.000000  
1 1 1 34 0  14 f 24.34025 15.25145  4.850772       14.96210  4.850772       14.96210  4.850772       14.96210  24.34025 15.25145  24.34025 15.25145  0.000000       0.000000  
1 1 1 34 0  15 o 18.12944 13.12740  -35.10853      22.91966  -35.10853      22.91966  -35.10853      22.91966  18.12944 13.12740  18.12944 13.12740  0.000000       0.000000  
1 1 1 34 0  16 o 96.87195 6.796481  96.32928       13.03705  96.32928       13.03705  96.32928       13.03705  96.87195 6.796481  96.87195 6.796481  0.000000       0.000000  
1 1 1 34 0  17 o 38.73267 17.99715  23.92031       15.35284  23.92031       15.35284  23.92031       15.35284  38.73267 17.99715  38.73267 17.99715  0.000000       0.000000  
1 1 1 34 0  18 o 53.20163 16.08960  37.27185       14.90493  37.27185       14.90493  37.27185       14.90493  53.20163 16.08960  53.20163 16.08960  0.000000       0.000000  
1 1 1 34 0  19 o 79.70599 13.03308  72.43755       19.35544  72.43755       19.35544  72.43755       19.35544  79.70599 13.03308  79.70599 13.03308  0.000000       0.000000  
1 1 1 34 1  0  o 47.69215 5.627105  23.71065       5.241503  23.71065       5.241503  23.71065       5.241503  47.69215 5.627105  47.69215 5.627105  0.000000       0.000000  
1 1 1 34 1  1  o 252.3849 1.701663  638.1577       6.061082  685.5504       12.12216  590.7650       12.12216  261.7739 2.315388  242.9959 2.494314  18.77795       3.403326  
1 1 1 34 1  2  o 192.9797 1.504667  373.0663       4.097902  345.3006       8.195804  400.8319       8.195804  185.7858 2.205713  200.1736 2.047174  -14.38786      3.009334  
1 1 1 34 1  3  o 107.5381 1.479447  116.2089       2.234786  100.6750       4.469572  131.7428       4.469572  100.3156 2.227756  114.7606 1.947346  -14.44501      2.958894  
1 1 1 34 1  4  o 161.9590 1.468948  262.6850       3.359326  279.5627       6.718653  245.8074       6.718653  167.1695 2.009533  156.7486 2.143131  10.42093       2.937896  
1 1 1 34 1  5  o 190.3264 1.857066  362.4928       4.998487  363.9699       9.996975  361.0156       9.996975  190.7144 2.620928  189.9383 2.631637  0.7761078      3.714132  
1 1 1 34 1  6  o 296.0327 2.168990  877.3226       9.077329  850.3622       18.15466  904.2830       18.15466  291.4791 3.114229  300.5863 3.019874  -9.107208      4.337979  
1 1 1 34 1  7  o 232.3724 2.038683  540.4799       6.699593  539.2933       13.39919  541.6664       13.39919  232.1171 2.886299  232.6277 2.879964  -0.5105896     4.077366  
1 1 1 34 1  8  o 90.51440 2.836654  82.16769       3.626166  77.23116       7.252333  87.10423       7.252333  87.78746 4.130620  93.24133 3.889012  -5.453873      5.673309  
1 1 1 34 1  9  o 132.3638 2.270479  176.1240       4.226557  197.4521       8.453114  154.7959       8.453114  140.4204 3.009930  124.3071 3.400092  16.11330       4.540958  
1 1 1 34 1  10 o 94.84955 3.326131  90.47309       4.450512  97.79689       8.901024  83.14928       8.901024  98.71030 4.508660  90.98880 4.891274  7.721497       6.652262  
1 1 1 34 1  11 o 253.3275 2.785120  643.8518       9.977915  642.0078       19.95583  645.6959       19.95583  252.9635 3.944409  253.6914 3.933091  -0.7279358     5.570239  
1 1 1 34 1  12 f 35.02280 8.682073  11.51701       5.346332  13.63744       10.69266  9.396584       10.69266  36.90199 12.32777  33.14360 12.22864  3.758392       17.36415  
1 1 1 34 1  13 o 59.73705 7.623514  39.06349       6.103968  54.46397       12.20794  23.66300       12.20794  72.91483 8.371367  46.55928 12.74331  26.35555       15.24703  
1 1 1 34 1  14 o 106.4905 5.483259  120.0209       7.795544  75.72541       15.59109  164.3163       15.59109  85.69262 9.097100  127.2883 6.124320  -41.59570      10.96652  
1 1 1 34 1  15 o 38.81499 9.463568  14.90493       6.542348  8.148153       13.08470  21.66170       13.08470  33.45881 13.23014  44.17117 13.53513  -10.71237      18.92714  
1 1 1 34 1  16 o 66.82016 4.094924  45.43430       3.869182  46.21099       7.738363  44.65760       7.738363  67.40134 5.740511  66.23898 5.841245  1.162361       8.189848  
1 1 1 34 1  17 o 43.45700 8.655430  21.37103       5.641763  16.57268       11.28353  26.16939       11.28353  38.81614 12.66381  48.09786 11.80228  -9.281719      17.31086  
1 1 1 34 1  18 o 152.2470 3.089480  235.3196       6.651943  235.7723       13.30389  234.8669       13.30389  152.3957 4.364916  152.0983 4.373449  0.2973480      6.178961  
1 1 1 34 1  19 o 61.49427 8.448281  45.92985       7.161798  23.88219       14.32360  67.97752       14.32360  43.85811 14.26815  79.13042 9.050625  -35.27232      16.89656  
1 1 1 34 2  0  o 373.5056 4.388668  1396.717       32.77368  1396.717       32.77368  1396.717       32.77368  373.5056 4.388668  373.5056 4.388668  0.000000       0.000000  
1 1 1 34 2  1  o 234.9180 1.608424  553.2167       5.327272  503.4129       10.65454  603.0206       10.65454  224.3178 2.374878  245.5183 2.169807  -21.20050      3.216847  
1 1 1 34 2  2  o 117.4591 1.401624  138.5043       2.315791  155.0150       4.631582  121.9936       4.631582  124.4874 1.860262  110.4308 2.097052  14.05658       2.803248  
1 1 1 34 2  3  o 187.9933 1.539872  353.6060       4.093137  345.5008       8.186274  361.7113       8.186274  185.8376 2.202535  190.1490 2.152594  -4.311478      3.079744  
1 1 1 34 2  4  o 197.1234 1.732460  388.9433       4.826947  373.9097       9.653894  403.9769       9.653894  193.3101 2.496996  200.9366 2.402224  -7.626465      3.464920  
1 1 1 34 2  5  o 57.00918 4.744850  35.60410       3.283086  53.98747       6.566173  17.22072       6.566173  73.40309 4.472682  40.61527 8.369558  32.78782       9.489699  
1 1 1 34 2  6  o 169.8389 1.865076  288.6638       4.479102  294.0864       8.958203  283.2413       8.958203  171.4353 2.612708  168.2425 2.662290  3.192795       3.730151  
1 1 1 34 2  7  o 36.43596 6.252009  13.98528       3.287851  8.700893       6.575703  19.26967       6.575703  29.80553 9.666376  43.06639 7.931686  -13.26086      12.50402  
1 1 1 34 2  8  o 219.0216 2.225846  481.1555       6.875898  521.7677       13.75180  440.5435       13.75180  228.2929 3.011876  209.7504 3.278134  18.54251       4.451692  
1 1 1 34 2  9  o 90.54901 2.750077  82.18675       3.521337  80.96691       7.042673  83.40659       7.042673  89.87543 3.918019  91.22260 3.860158  -1.347168      5.500154  
1 1 1 34 2  10 o 70.14165 3.875266  49.49884       3.840591  47.07822       7.681183  51.91946       7.681183  68.41612 5.613577  71.86716 5.344014  -3.451042      7.750531  
1 1 1 34 2  11 o 203.2282 2.253136  413.9071       6.475638  415.9466       12.95128  411.8677       12.95128  203.7300 3.178539  202.7265 3.194273  1.003494       4.506272  
1 1 1 34 2  12 o 185.9933 2.773631  347.5545       7.295218  351.6381       14.59044  343.4709       14.59044  187.0911 3.899287  184.8956 3.945589  2.195557       5.547261  
1 1 1 34 2  13 o 103.4670 4.309957  108.5229       6.299332  102.6191       12.59866  114.4268       12.59866  100.6140 6.260889  106.3200 5.924879  -5.706009      8.619914  
1 1 1 34 2  14 o 129.0343 4.106234  168.6525       7.490582  163.6302       14.98116  173.6748       14.98116  127.0882 5.894005  130.9804 5.718858  -3.892220      8.212468  
1 1 1 34 2  15 o 104.3464 5.314175  113.1831       7.700243  137.1749       15.40049  89.19131       15.40049  115.8426 6.647161  92.85015 8.293194  22.99245       10.62835  
1 1 1 34 2  16 o 107.1915 2.535359  115.7276       3.840591  110.6624       7.681183  120.7928       7.681183  104.8288 3.663680  109.5542 3.505656  -4.725388      5.070717  
1 1 1 34 2  17 o 65.25658 5.834610  44.54323       5.374923  41.59846       10.74985  47.48801       10.74985  63.00027 8.531586  67.51288 7.961329  -4.512608      11.66922  
1 1 1 34 2  18 f 85.39403 4.993958  75.90171       6.022963  71.56081       12.04593  80.24264       12.04593  82.85233 7.269515  87.93573 6.849278  -5.083397      9.987915  
1 1 1 34 2  19 o 66.73310 8.095009  54.38773       7.042673  24.94955       14.08535  83.82591       14.08535  44.78180 14.10861  88.68440 7.941276  -43.90260      16.19002  
1 1 1 34 3  0  o 236.0069 3.270183  557.5529       15.42908  557.5529       15.42908  557.5529       15.42908  236.0069 3.270183  236.0069 3.270183  0.000000       0.000000  
1 1 1 34 3  1  o 147.3987 1.472122  217.3413       3.068661  218.3610       6.137322  216.3215       6.137322  147.7446 2.077004  147.0528 2.086775  0.6918182      2.944244  
1 1 1 34 3  2  o 75.29322 1.829767  57.17527       1.925061  47.03057       3.850122  67.31995       3.850122  68.55643 2.807995  82.03001 2.346776  -13.47357      3.659534  
1 1 1 34 3  3  o 269.1808 1.711264  725.3572       6.508993  759.5318       13.01799  691.1826       13.01799  275.5286 2.362365  262.8329 2.476476  12.69574       3.422529  
1 1 1 34 3  4  o 86.41525 2.125809  75.03448       2.582631  65.66173       5.165262  84.40725       5.165262  80.99216 3.188742  91.83835 2.812149  -10.84618      4.251618  
1 1 1 34 3  5  o 178.9928 1.923850  322.2952       4.831712  275.8841       9.663424  368.7063       9.663424  166.0283 2.910174  191.9573 2.517076  -25.92906      3.847699  
1 1 1 34 3  6  o 69.36558 3.598143  49.79903       3.359326  32.37342       6.718653  67.22465       6.718653  56.80487 5.913800  81.92628 4.100426  -25.12142      7.196286  
1 1 1 34 3  7  o 241.2284 2.012141  583.6985       6.842543  530.0588       13.68509  637.3381       13.68509  230.1104 2.973592  252.3464 2.711567  -22.23604      4.024282  
1 1 1 34 3  8  o 79.81483 3.467386  64.58484       3.850122  51.27143       7.700243  77.89825       7.700243  71.47466 5.386695  88.15502 4.367445  -16.68037      6.934772  
1 1 1 34 3  9  o 175.4419 2.097623  308.2622       5.203382  315.5003       10.40676  301.0242       10.40676  177.5047 2.931405  173.3791 3.001159  4.125595       4.195246  
1 1 1 34 3  10 o 218.1050 2.336804  477.4294       7.190388  515.6304       14.38078  439.2283       14.38078  226.8625 3.169492  209.3475 3.434666  17.51500       4.673608  
1 1 1 34 3  11 o 59.41647 5.751201  36.09489       4.769767  29.50489       9.539534  42.68488       9.539534  53.87088 8.854073  64.96207 7.342387  -11.09120      11.50240  
1 1 1 34 3  12 o 146.3752 3.327833  215.9594       6.875898  200.8067       13.75180  231.1121       13.75180  141.1992 4.869642  151.5512 4.537013  -10.35196      6.655666  
1 1 1 34 3  13 o 58.17123 7.279476  38.64417       5.641763  62.81225       11.28353  14.47608       11.28353  78.54639 7.182713  37.79607 12.66380  40.75032       14.55895  
1 1 1 34 3  14 o 44.27197 7.992921  21.31385       5.036607  23.38663       10.07321  19.24108       10.07321  46.42715 11.00257  42.11680 11.59701  4.310352       15.98584  
1 1 1 34 3  15 o 40.67187 10.13541  15.80075       7.643063  25.09250       15.28613  6.508993       15.28613  47.22958 14.66157  34.11415 13.99802  13.11543       20.27082  
1 1 1 34 3  16 o 57.58359 5.004331  34.03640       4.074077  33.09770       8.148153  34.97511       8.148153  56.76851 7.176649  58.39867 6.976318  -1.630157      10.00866  
1 1 1 34 3  17 o 35.46489 8.496492  12.95128       5.227207  17.64004       10.45441  8.262513       10.45441  39.73416 12.08307  31.19563 11.94827  8.538527       16.99298  
1 1 1 34 3  18 o 43.88211 9.341416  22.49081       6.404162  27.88479       12.80832  17.09683       12.80832  48.68055 12.93287  39.08367 13.48291  9.596882       18.68283  
1 1 1 34 3  19 o 30.18890 12.97059  3.897772       14.10441  3.897772       14.10441  ?              ?         30.18890 12.97059  ?        ?         ?              ?         
1 1 1 34 4  0  o 191.3119 3.472097  366.5430       13.27530  366.5430       13.27530  366.5430       13.27530  191.3119 3.472097  191.3119 3.472097  0.000000       0.000000  
1 1 1 34 4  1  o 124.2426 1.467598  154.4480       2.577866  150.0499       5.155732  158.8461       5.155732  122.4726 2.104851  126.0126 2.045721  -3.539940      2.935195  
1 1 1 34 4  2  f 127.0169 1.492298  164.3973       2.606456  208.4498       5.212912  120.3449       5.212912  144.3581 1.805549  109.6757 2.376511  34.68235       2.984596  
1 1 1 34 4  3  o 145.8998 1.521678  213.1528       3.135371  226.1089       6.270743  200.1968       6.270743  150.3399 2.085522  141.4598 2.216440  8.880096       3.043355  
1 1 1 34 4  4  o 142.5851 1.662192  203.4942       3.349797  211.4898       6.699593  195.4985       6.699593  145.3889 2.304024  139.7813 2.396456  5.607651       3.324384  
1 1 1 34 4  5  o 158.3358 1.829794  252.5927       4.055017  210.9276       8.110033  294.2579       8.110033  145.1786 2.793123  171.4930 2.364538  -26.31444      3.659587  
1 1 1 34 4  6  o 351.1907 2.444945  1234.874       12.14122  1210.301       24.28245  1259.447       24.28245  347.6922 3.491947  354.6893 3.423060  -6.997101      4.889891  
1 1 1 34 4  7  o 186.4531 2.213680  348.0596       5.837128  347.7117       11.67426  348.4074       11.67426  186.3598 3.132182  186.5463 3.129050  -0.1865387     4.427360  
1 1 1 34 4  8  o 108.6808 2.427826  118.4008       3.726231  111.1389       7.452463  125.6626       7.452463  105.3399 3.537341  112.0217 3.326347  -6.681824      4.855653  
1 1 1 34 4  9  o 168.0320 2.203202  284.1037       5.198617  322.8766       10.39723  245.3309       10.39723  179.5694 2.895047  156.4947 3.321913  23.07466       4.406404  
1 1 1 34 4  10 o 71.65215 3.758932  51.92899       3.773881  59.99138       7.547763  43.86661       7.547763  77.27821 4.883500  66.02609 5.715743  11.25212       7.517864  
1 1 1 34 4  11 o 24.23026 7.122598  1.439031       4.050251  0.7624003E-01  8.100503  2.801821       8.100503  23.20019 9.894019  25.26032 10.24861  -2.060129      14.24520  
1 1 1 34 4  12 o 158.9978 3.040960  254.5702       6.823483  273.4730       13.64697  235.6674       13.64697  164.9422 4.136894  153.0535 4.458235  11.88870       6.081920  
1 1 1 34 4  13 o 153.6964 3.004097  237.7641       6.528053  231.6553       13.05611  243.8728       13.05611  151.7091 4.303007  155.6836 4.193153  -3.974548      6.008195  
1 1 1 34 4  14 f 46.57082 7.781456  23.15314       5.622702  8.824783       11.24540  37.48151       11.24540  32.90336 12.45306  60.23828 9.334102  -27.33492      15.56291  
1 1 1 34 4  15 o 97.35197 3.627336  96.01956       4.993722  97.14886       9.987444  94.89025       9.987444  97.93199 5.099174  96.77196 5.160299  1.160034       7.254672  
1 1 1 34 4  16 o 64.23476 4.600676  42.65630       4.102666  51.81463       8.205333  33.49796       8.205333  71.36356 5.748966  57.10595 7.184307  14.25760       9.201351  
1 1 1 34 4  17 o 62.04175 6.132462  41.98919       4.969897  56.22703       9.939795  27.75137       9.939795  73.89127 6.725960  50.19222 10.25621  23.69905       12.26492  
1 1 1 34 4  18 o 46.45829 8.187795  23.74877       6.461343  42.58959       12.92269  4.907952       12.92269  62.53291 10.33271  30.38367 12.70413  32.14924       16.37559  
1 1 1 34 4  19 o 22.60229 10.67554  -11.14057      12.83692  -11.14057      12.83692  ?              ?         22.60229 10.67554  ?        ?         ?              ?         
1 1 1 34 5  0  o 491.3816 5.514389  2418.505       54.17807  2418.505       54.17807  2418.505       54.17807  491.3816 5.514389  491.3816 5.514389  0.000000       0.000000  
1 1 1 34 5  1  o 210.5715 1.495681  443.8027       4.450512  464.1684       8.901024  423.4372       8.901024  215.4073 2.066092  205.7357 2.163218  9.671585       2.991362  
1 1 1 34 5  2  o 213.0119 1.568848  454.4907       4.717352  422.6653       9.434704  486.3161       9.434704  205.5415 2.295084  220.4822 2.139561  -14.94069      3.137696  
1 1 1 34 5  3  o 219.0486 1.536958  480.0978       4.760237  491.3098       9.520474  468.8857       9.520474  221.6079 2.148045  216.4894 2.198832  5.118515       3.073916  
1 1 1 34 5  4  o 160.0566 1.420957  256.2856       3.216377  257.3387       6.432753  255.2326       6.432753  160.3855 2.005403  159.7276 2.013663  0.6579285      2.841915  
1 1 1 34 5  5  o 134.6415 1.976958  181.4179       3.764351  180.9462       7.528703  181.8896       7.528703  134.4663 2.799476  134.8167 2.792201  -0.3503723     3.953916  
1 1 1 34 5  6  o 126.3545 2.270048  160.3519       4.035956  178.8782       8.071913  141.8255       8.071913  133.6856 3.018992  119.0234 3.390894  14.66219       4.540096  
1 1 1 34 5  7  o 184.5395 2.018720  341.4362       5.255797  368.6682       10.51159  314.2042       10.51159  191.9178 2.738566  177.1611 2.966677  14.75673       4.037439  
1 1 1 34 5  8  o 183.4652 2.032343  337.0763       5.270092  350.1990       10.54018  323.9534       10.54018  187.0416 2.817605  179.8888 2.929638  7.152740       4.064686  
1 1 1 34 5  9  o 29.43070 6.261893  6.775833       3.459391  -2.696991      6.918783  16.24866       6.918783  19.57135 8.714552  39.29005 8.994543  -19.71871      12.52379  
1 1 1 34 5  10 o 257.3459 2.469407  663.8791       8.986794  671.2458       17.97359  656.5125       17.97359  258.7772 3.472792  255.9146 3.511638  2.862579       4.938814  
1 1 1 34 5  11 o 86.73274 3.463439  76.21143       4.197967  62.82178       8.395933  89.60110       8.395933  79.01382 5.312953  94.45166 4.444567  -15.43784      6.926878  
1 1 1 34 5  12 o 98.98045 3.591449  99.28359       4.984192  84.44536       9.968384  114.1218       9.968384  91.48492 5.448102  106.4760 4.681048  -14.99106      7.182898  
1 1 1 34 5  13 o 159.6508 2.807790  256.4762       6.332687  242.8912       12.66537  270.0612       12.66537  155.3962 4.075188  163.9054 3.863623  -8.509201      5.615580  
1 1 1 34 5  14 o 66.48764 6.625083  47.50230       5.779948  63.15533       11.55990  31.84928       11.55990  78.66463 7.347582  54.31065 11.02633  24.35397       13.25017  
1 1 1 34 5  15 o 102.5818 3.974560  106.8742       5.765652  105.5448       11.53130  108.2037       11.53130  101.9338 5.656271  103.2298 5.585259  -1.295982      7.949121  
1 1 1 34 5  16 o 83.45191 3.516981  70.76505       4.131257  62.97426       8.262513  78.55582       8.262513  78.78409 5.243770  88.11974 4.688231  -9.335648      7.033963  
1 1 1 34 5  17 o 107.4982 3.323264  117.3286       5.046137  123.8710       10.09227  110.7863       10.09227  110.5412 4.564937  104.4552 4.830910  6.086014       6.646528  
1 1 1 34 5  18 o 93.86275 4.842824  92.08366       6.375573  79.01326       12.75115  105.1541       12.75115  86.90024 7.336658  100.8252 6.323390  -13.92501      9.685649  
1 1 1 34 5  19 o 22.91012 10.92705  -13.23717      13.78991  -13.23717      13.78991  ?              ?         22.91012 10.92705  ?        ?         ?              ?         
1 1 1 34 6  0  o 206.6413 3.315529  427.5350       13.69462  427.5350       13.69462  427.5350       13.69462  206.6413 3.315529  206.6413 3.315529  0.000000       0.000000  
1 1 1 34 6  1  o 248.7498 1.715931  621.2991       6.003902  695.5093       12.00780  547.0889       12.00780  263.6664 2.277083  233.8332 2.567601  29.83324       3.431862  
1 1 1 34 6  2  o 98.98905 1.682168  98.19715       2.349146  106.1071       4.698292  90.28726       4.698292  102.9844 2.281070  94.99371 2.472949  7.990677       3.364336  
1 1 1 34 6  3  o 116.2250 1.452452  135.1402       2.387266  136.4601       4.774532  133.8203       4.774532  116.7928 2.044018  115.6572 2.064088  1.135651       2.904904  
1 1 1 34 6  4  o 251.1701 1.717770  633.3783       6.070612  706.9357       12.14122  559.8210       12.14122  265.8130 2.283790  236.5272 2.566560  29.28587       3.435539  
1 1 1 34 6  5  o 104.8401 2.132287  110.3908       3.144901  97.38711       6.289802  123.3945       6.289802  98.63839 3.188314  111.0417 2.832179  -12.40336      4.264573  
1 1 1 34 6  6  o 159.0940 1.936844  253.4028       4.355212  243.4058       8.710423  263.3997       8.710423  155.9521 2.792660  162.2358 2.684495  -6.283691      3.873688  
1 1 1 34 6  7  o 31.37421 6.720369  9.839729       3.335501  13.12282       6.671002  6.556643       6.671002  35.38923 9.302349  27.35920 9.701532  8.030027       13.44074  
1 1 1 34 6  8  o 108.1772 2.461616  118.3293       3.711936  141.2728       7.423873  95.38580       7.423873  118.7818 3.125005  97.57262 3.804281  21.20918       4.923232  
1 1 1 34 6  9  o 167.7505 2.248476  281.9356       5.332037  272.7392       10.66407  291.1321       10.66407  165.0094 3.231354  170.4916 3.127449  -5.482208      4.496953  
1 1 1 34 6  10 o 145.6869 2.551158  212.8193       5.255797  215.9022       10.51159  209.7363       10.51159  146.7450 3.581585  144.6289 3.633990  2.116150       5.102316  
1 1 1 34 6  11 o 83.56408 4.016540  70.49345       4.731647  64.07975       9.463295  76.90713       9.463295  79.72649 5.934850  87.40167 5.413681  -7.675186      8.033080  
1 1 1 34 6  12 o 62.29775 5.493864  39.53045       4.836477  41.29350       9.672954  37.76740       9.672954  63.71277 7.591064  60.88273 7.943923  2.830036       10.98773  
1 1 1 34 6  13 o 112.4825 3.660326  127.7831       5.818067  133.5725       11.63613  121.9936       11.63613  115.0560 5.056727  109.9090 5.293531  5.146996       7.320653  
1 1 1 34 6  14 o 132.0047 2.943049  175.5284       5.489282  167.0419       10.97856  184.0148       10.97856  128.7902 4.262188  135.2192 4.059545  -6.428925      5.886098  
1 1 1 34 6  15 o 149.7125 3.196084  228.5438       6.666237  183.7671       13.33247  273.3205       13.33247  134.7583 4.946810  164.6668 4.048320  -29.90845      6.392169  
1 1 1 34 6  16 o 70.03135 4.415546  50.87116       4.259912  63.82244       8.519823  37.91988       8.519823  79.27812 5.373376  60.78458 7.008212  18.49355       8.831093  
1 1 1 34 6  17 o 101.3435 3.843115  105.1588       5.470222  119.0679       10.94044  91.24979       10.94044  108.2058 5.055387  94.48116 5.789750  13.72466       7.686230  
1 1 1 34 6  18 o 81.88580 5.900148  71.23679       6.823483  75.23938       13.64697  67.23418       13.64697  84.32981 8.091425  79.44178 8.589287  4.888031       11.80030  
1 1 1 34 6  19 o 83.94109 6.370224  76.54023       7.547763  71.52267       15.09553  81.55777       15.09553  80.95235 9.323710  86.92982 8.682594  -5.977463      12.74045  
1 1 1 34 7  0  o 20.61797 11.04341  6.175443       6.165912  6.175443       6.165912  6.175443       6.165912  20.61797 11.04341  20.61797 11.04341  0.000000       0.000000  
1 1 1 34 7  1  o 58.43541 2.520197  34.60821       2.044186  42.21791       4.088372  26.99850       4.088372  64.94662 3.147486  51.92420 3.936866  13.02242       5.040395  
1 1 1 34 7  2  o 160.4127 1.537267  258.1107       3.473686  284.4897       6.947372  231.7316       6.947372  168.6349 2.059886  152.1904 2.282461  16.44447       3.074533  
1 1 1 34 7  3  o 122.4627 1.515059  150.1595       2.620751  158.6555       5.241503  141.6635       5.241503  125.9315 2.081092  118.9939 2.202425  6.937614       3.030118  
1 1 1 34 7  4  o 138.9198 1.632070  194.4121       3.173491  162.4198       6.346982  226.4043       6.346982  127.4052 2.490865  150.4345 2.109551  -23.02926      3.264140  
1 1 1 34 7  5  o 173.6857 1.807891  302.9159       4.417156  267.0117       8.834313  338.8203       8.834313  163.3497 2.704111  184.0217 2.400346  -20.67198      3.615781  
1 1 1 34 7  6  o 144.4343 1.837205  208.8643       3.750056  199.8346       7.500113  217.8940       7.500113  141.3084 2.653809  147.5602 2.541374  -6.251755      3.674410  
1 1 1 34 7  7  o 87.50557 3.174721  79.24198       3.740526  51.61450       7.481052  106.8695       7.481052  71.71944 5.215498  103.2917 3.621324  -31.57226      6.349442  
1 1 1 34 7  8  o 265.6096 2.302402  706.5259       8.648479  706.8118       17.29696  706.2401       17.29696  265.6634 3.255428  265.5557 3.256747  0.1076355      4.604803  
1 1 1 34 7  9  o 192.9973 2.149342  373.0758       5.865717  366.5144       11.73143  379.6372       11.73143  191.2974 3.066281  194.6972 3.012739  -3.399750      4.298683  
1 1 1 34 7  10 o 87.49635 3.537015  77.20256       4.355212  68.44449       8.710423  85.96063       8.710423  82.49153 5.279587  92.50117 4.708278  -10.00964      7.074031  
1 1 1 34 7  11 o 120.8492 2.823037  146.6668       4.822182  152.1751       9.644363  141.1584       9.644363  123.1282 3.916391  118.5702 4.066943  4.558029       5.646074  
1 1 1 34 7  12 o 53.83832 7.035029  31.12976       5.131907  20.65152       10.26381  41.60800       10.26381  43.78500 11.55206  63.89164 8.032205  -20.10664      14.07006  
1 1 1 34 7  13 o 128.0474 2.278996  164.8309       4.116962  178.0109       8.233924  151.6510       8.233924  133.1940 3.090952  122.9009 3.349822  10.29305       4.557992  
1 1 1 34 7  14 o 34.04534 8.380746  10.49730       5.193852  4.479102       10.38770  16.51550       10.38770  28.79326 11.63698  39.29742 12.06351  -10.50417      16.76149  
1 1 1 34 7  15 o 70.28496 4.962167  50.61385       4.927012  47.97404       9.854024  53.25366       9.854024  68.40703 7.202495  72.16290 6.827625  -3.755867      9.924334  
1 1 1 34 7  16 o 96.86217 3.762466  95.30957       5.150967  99.00721       10.30193  91.61193       10.30193  98.77089 5.215066  94.95346 5.424728  3.817429       7.524931  
1 1 1 34 7  17 o 75.69176 4.945638  59.25757       5.284387  55.26450       10.56877  63.25064       10.56877  73.05404 7.233532  78.32948 6.746358  -5.275444      9.891275  
1 1 1 34 7  18 o 80.49802 5.448923  69.41655       6.008667  88.26690       12.01733  50.56620       12.01733  92.20660 6.516526  68.78944 8.734869  23.41715       10.89785  
1 1 1 34 7  19 o 34.96621 14.11252  11.37883       15.24801  11.37883       15.24801  ?              ?         34.96621 14.11252  ?        ?         ?              ?         
1 1 1 34 8  0  o 342.7580 4.049513  1176.212       27.75137  1176.212       27.75137  1176.212       27.75137  342.7580 4.049513  342.7580 4.049513  0.000000       0.000000  
1 1 1 34 8  1  o 170.6045 1.576167  291.2131       3.802472  295.8685       7.604944  286.5577       7.604944  171.9689 2.211139  169.2401 2.246791  2.728790       3.152334  
1 1 1 34 8  2  o 135.7941 1.578233  184.6963       3.025776  197.0424       6.051552  172.3501       6.051552  140.3400 2.156033  131.2482 2.305385  9.091797       3.156466  
1 1 1 34 8  3  o 112.4843 1.646166  126.6823       2.615986  120.0685       5.231973  133.2962       5.231973  109.5444 2.388060  115.4242 2.266411  -5.879768      3.292332  
1 1 1 34 8  4  o 77.05373 2.128170  59.80554       2.296731  69.34030       4.593462  50.27077       4.593462  83.24082 2.759140  70.86663 3.240920  12.37419       4.256339  
1 1 1 34 8  5  o 68.21419 2.769621  46.91621       2.644576  39.22550       5.289153  54.60692       5.289153  62.57700 4.226115  73.85137 3.580944  -11.27437      5.539243  
1 1 1 34 8  6  o 199.0633 1.878581  398.2256       5.255797  347.2448       10.51159  449.2063       10.51159  186.2581 2.821781  211.8685 2.480689  -25.61032      3.757162  
1 1 1 34 8  7  o 263.9605 1.961993  698.3444       7.309513  647.6305       14.61903  749.0583       14.61903  254.3541 2.873754  273.5668 2.671930  -19.21271      3.923987  
1 1 1 34 8  8  o 49.78500 6.081421  26.00262       4.083606  18.56445       8.167212  33.44078       8.167212  41.95623 9.884149  57.61377 7.087900  -15.65755      12.16284  
1 1 1 34 8  9  o 33.57404 7.501615  11.12152       4.088372  7.538233       8.176744  14.70480       8.176744  29.69119 10.71939  37.45689 10.49722  -7.765699      15.00323  
1 1 1 34 8  10 o 69.95550 4.689484  49.64180       4.602992  42.55146       9.205984  56.73211       9.205984  64.88776 7.093775  75.02323 6.135422  -10.13547      9.378968  
1 1 1 34 8  11 o 161.5654 2.657444  262.3134       6.061082  280.3441       12.12216  244.2826       12.12216  167.1454 3.626234  155.9854 3.885674  11.16003       5.314888  
1 1 1 34 8  12 o 87.20546 2.817448  76.56882       3.464156  69.73104       6.928313  83.40659       6.928313  83.28496 4.159402  91.12596 3.801503  -7.841003      5.634896  
1 1 1 34 8  13 o 79.74774 3.465595  64.62296       3.864417  75.67776       7.728833  53.56815       7.728833  86.67885 4.458316  72.81664 5.307052  13.86221       6.931189  
1 1 1 34 8  14 o 87.82808 3.781852  78.26516       4.679232  86.09406       9.358463  70.43626       9.358463  92.28503 5.070413  83.37113 5.612533  8.913895       7.563704  
1 1 1 34 8  15 o 52.41492 5.675293  30.67708       3.754822  15.14318       7.509643  46.21099       7.509643  37.35833 9.892728  67.47151 5.565048  -30.11318      11.35059  
1 1 1 34 8  16 f 45.95855 7.409422  23.31515       4.736412  27.55124       9.472824  19.07907       9.472824  50.41603 9.742345  41.50106 11.16624  8.914970       14.81884  
1 1 1 34 8  17 o 105.9704 3.996110  114.9080       5.984842  110.2145       11.96968  119.6016       11.96968  103.7559 5.768195  108.1850 5.532045  -4.429092      7.992221  
1 1 1 34 8  18 o 73.02393 6.244372  57.77089       6.289802  71.50362       12.57960  44.03815       12.57960  82.42683 7.630771  63.62103 9.886358  18.80580       12.48874  
1 1 1 34 8  19 o 33.98157 14.20813  9.177394       16.16289  9.177394       16.16289  ?              ?         33.98157 14.20813  ?        ?         ?              ?         
1 1 1 34 9  0  o 224.9926 3.538765  506.9009       15.91511  506.9009       15.91511  506.9009       15.91511  224.9926 3.538765  224.9926 3.538765  0.000000       0.000000  
1 1 1 34 9  1  o 187.7467 1.582870  352.6625       4.202732  353.4392       8.405463  351.8859       8.405463  187.9535 2.236048  187.5398 2.240981  0.4136963      3.165740  
1 1 1 34 9  2  o 92.79051 1.883795  86.47049       2.458741  96.78671       4.917482  76.15426       4.917482  98.34939 2.500006  87.23163 2.818635  11.11776       3.767590  
1 1 1 34 9  3  o 102.8805 1.732506  105.9069       2.520686  105.3732       5.041372  106.4406       5.041372  102.6212 2.456302  103.1399 2.443949  -0.5187302     3.465012  
1 1 1 34 9  4  o 132.1992 1.591421  174.9232       2.973361  167.6614       5.946723  182.1851       5.946723  129.4526 2.296872  134.9457 2.203376  -5.493118      3.182843  
1 1 1 34 9  5  o 76.50462 2.538137  59.03361       2.716051  49.01281       5.432102  69.05441       5.432102  69.95547 3.882543  83.05377 3.270232  -13.09830      5.076274  
1 1 1 34 9  6  o 275.3770 2.137179  759.6795       8.314929  798.4142       16.62986  720.9448       16.62986  282.4100 2.944275  268.3439 3.098608  14.06607       4.274357  
1 1 1 34 9  7  o 40.78322 5.471428  17.53044       3.040071  23.69159       6.080142  11.36929       6.080142  48.55485 6.261107  33.01159 8.974668  15.54326       10.94286  
1 1 1 34 9  8  o 231.3452 1.861484  535.8149       6.089673  527.3523       12.17935  544.2776       12.17935  229.5161 2.653265  233.1742 2.611641  -3.658035      3.722967  
1 1 1 34 9  9  o 238.0070 1.887073  567.2020       6.351747  566.6826       12.70349  567.7214       12.70349  237.8979 2.669947  238.1161 2.667500  -0.2182465     3.774145  
1 1 1 34 9  10 o 87.08846 3.165997  76.73558       3.854887  63.48889       7.709774  89.98229       7.709774  79.48315 4.849943  94.69378 4.070898  -15.21063      6.331994  
1 1 1 34 9  11 o 29.24675 6.902618  8.167214       3.416506  5.584582       6.833013  10.74985       6.833013  26.28533 9.760068  32.20817 9.763484  -5.922838      13.80524  
1 1 1 34 9  12 o 86.96587 3.374466  76.75465       4.102666  90.00137       8.205333  63.50795       8.205333  94.58190 4.337687  79.34983 5.170353  15.23207       6.748932  
1 1 1 34 9  13 o 65.16112 4.833838  43.25669       4.445747  40.18803       8.891494  46.32535       8.891494  62.80644 7.078489  67.51579 6.584753  -4.709343      9.667677  
1 1 1 34 9  14 o 63.54433 4.823189  41.30303       4.321856  37.75788       8.643713  44.84820       8.643713  60.75481 7.113604  66.33385 6.515310  -5.579041      9.646379  
1 1 1 34 9  15 o 91.07231 3.507529  84.12135       4.502927  76.41157       9.005854  91.83112       9.005854  86.83954 5.185342  95.30508 4.724750  -8.465546      7.015058  
1 1 1 34 9  16 o 71.99792 4.761908  53.34420       4.831712  58.34269       9.663424  48.34571       9.663424  75.46919 6.402231  68.52665 7.050851  6.942543       9.523815  
1 1 1 34 9  17 o 31.87911 8.545970  9.134509       5.332037  7.014082       10.66407  11.25493       10.66407  30.17270 11.93971  33.58552 12.23020  -3.412821      17.09194  
1 1 1 34 9  18 o 36.26223 9.021191  12.97510       6.242152  3.316442       12.48430  22.63376       12.48430  28.92346 12.30720  43.60101 13.19320  -14.67755      18.04238  
1 1 1 34 9  19 o 40.40575 14.41703  20.51810       14.75245  20.51810       14.75245  ?              ?         40.40575 14.41703  ?        ?         ?              ?         
1 1 1 34 10 0  o 77.61832 4.212937  60.83002       6.499463  60.83002       6.499463  60.83002       6.499463  77.61832 4.212937  77.61832 4.212937  0.000000       0.000000  
1 1 1 34 10 1  o 172.4908 1.522756  298.0652       3.707171  276.3415       7.414343  319.7888       7.414343  166.1937 2.230633  178.7878 2.073503  -12.59409      3.045511  
1 1 1 34 10 2  f 224.0096 1.688070  502.1740       5.346332  515.5732       10.69266  488.7748       10.69266  227.0004 2.355208  221.0189 2.418948  5.981537       3.376139  
1 1 1 34 10 3  o 254.9720 1.752991  650.6611       6.318392  672.3036       12.63678  629.0184       12.63678  259.2162 2.437500  250.7279 2.520020  8.488281       3.505981  
1 1 1 34 10 4  o 176.2872 1.621958  311.3214       4.035956  289.1498       8.071913  333.4930       8.071913  169.9988 2.374109  182.5757 2.210566  -12.57693      3.243917  
1 1 1 34 10 5  o 137.1573 1.857050  188.5892       3.592812  204.2089       7.185624  172.9696       7.185624  142.8514 2.515070  131.4632 2.732940  11.38814       3.714100  
1 1 1 34 10 6  o 223.1812 1.890328  498.8481       5.961017  474.4989       11.92203  523.1972       11.92203  217.7261 2.737851  228.6362 2.607207  -10.91005      3.780655  
1 1 1 34 10 7  o 256.3851 1.930963  658.0753       6.999787  674.0953       13.99957  642.0554       13.99957  259.5093 2.697317  253.2609 2.763865  6.248398       3.861925  
1 1 1 34 10 8  o 96.56924 2.557512  93.45122       3.492747  92.96519       6.985494  93.93726       6.985494  96.31760 3.626281  96.82089 3.607431  -0.5032959     5.115024  
1 1 1 34 10 9  o 71.79996 3.462428  52.10530       3.483216  43.99050       6.966432  60.22010       6.966432  66.14898 5.265715  77.45094 4.497320  -11.30196      6.924857  
1 1 1 34 10 10 o 47.70973 4.541120  22.96254       3.063896  23.14838       6.127792  22.77671       6.127792  47.90448 6.395845  47.51497 6.448276  0.3895111      9.082240  
1 1 1 34 10 11 o 88.51158 2.962677  78.77501       3.707171  76.34486       7.414343  81.20516       7.414343  87.13879 4.254330  89.88437 4.124379  -2.745575      5.925354  
1 1 1 34 10 12 o 100.6178 3.059825  102.1616       4.336152  91.57381       8.672303  112.7495       8.672303  95.35641 4.547310  105.8792 4.095375  -10.52283      6.119651  
1 1 1 34 10 13 o 90.88185 3.575519  83.86404       4.555342  96.49129       9.110683  71.23678       9.110683  97.82893 4.656436  83.93478 5.427240  13.89415       7.151038  
1 1 1 34 10 14 o 231.7896 2.347758  540.1558       7.695479  533.2990       15.39096  547.0127       15.39096  230.3105 3.341350  233.2687 3.298976  -2.958206      4.695515  
1 1 1 34 10 15 o 81.86707 3.846514  68.41590       4.412392  57.89477       8.824783  78.93702       8.824783  75.44133 5.848773  88.29280 4.997454  -12.85147      7.693028  
1 1 1 34 10 16 o 59.37192 6.162544  37.03360       5.146202  32.78321       10.29240  41.28398       10.29240  55.79247 9.223830  62.95138 8.174884  -7.158913      12.32509  
1 1 1 34 10 17 f 40.66370 8.339629  18.51680       5.432102  27.22722       10.86420  9.806375       10.86420  48.91022 11.32113  32.41719 12.24866  16.49303       16.67926  
1 1 1 34 10 18 o 48.15715 8.749913  27.51312       6.042023  23.02449       12.08405  32.00175       12.08405  43.92089 12.91044  52.39342 11.81374  -8.472527      17.49983  
1 1 1 34 10 19 o 69.01534 7.704575  55.61234       7.519173  54.87376       15.03835  56.35091       15.03835  68.48026 10.98006  69.55042 10.81111  -1.070160      15.40915  
1 1 1 34 11 0  o 248.9830 3.561273  620.6891       17.72581  620.6891       17.72581  620.6891       17.72581  248.9830 3.561273  248.9830 3.561273  0.000000       0.000000  
1 1 1 34 11 1  o 92.47983 2.030142  85.92252       2.639811  75.29655       5.279623  96.54847       5.279623  86.73482 3.043543  98.22485 2.687519  -11.49003      4.060284  
1 1 1 34 11 2  o 134.7641 1.552665  181.6991       2.959066  180.1266       5.918132  183.2715       5.918132  134.1807 2.205284  135.3475 2.186273  -1.166809      3.105329  
1 1 1 34 11 3  o 45.72592 4.142306  21.83801       2.492096  28.96168       4.984192  14.71433       4.984192  53.76248 4.635382  37.68936 6.866443  16.07312       8.284612  
1 1 1 34 11 4  o 289.9378 1.926767  841.2802       7.900373  843.6342       15.80075  838.9263       15.80075  290.3437 2.721042  289.5319 2.728672  0.8118591      3.853533  
1 1 1 34 11 5  o 251.9595 1.857370  635.9562       6.609057  597.2834       13.21811  674.6290       13.21811  244.2851 2.705469  259.6339 2.545530  -15.34877      3.714739  
1 1 1 34 11 6  f 84.83421 2.414882  72.23266       2.887591  65.45206       5.775182  79.01326       5.775182  80.83783 3.572079  88.83060 3.250672  -7.992767      4.829763  
1 1 1 34 11 7  o 182.2986 1.888949  332.8878       4.865067  349.9608       9.730133  315.8148       9.730133  186.9813 2.601900  177.6159 2.739094  9.365387       3.777899  
1 1 1 34 11 8  o 72.06301 3.293690  52.38166       3.330736  44.91491       6.661473  59.84842       6.661473  66.88229 4.979997  77.24373 4.311983  -10.36143      6.587379  
1 1 1 34 11 9  o 76.31686 3.289566  58.55711       3.545162  54.91188       7.090323  62.20234       7.090323  73.92864 4.795383  78.70508 4.504362  -4.776436      6.579132  
1 1 1 34 11 10 o 29.56761 6.517246  7.581119       3.459391  14.93352       6.918783  0.2287201      6.918783  37.54526 9.259723  21.58995 9.173633  15.95531       13.03449  
1 1 1 34 11 11 o 130.1155 2.247729  169.9486       4.131257  160.5139       8.262513  179.3833       8.262513  126.4900 3.266074  133.7410 3.088998  -7.251022      4.495459  
1 1 1 34 11 12 o 56.44752 4.967555  32.64027       3.921597  38.12955       7.843193  27.15098       7.843193  61.30980 6.396361  51.58523 7.602170  9.724571       9.935110  
1 1 1 34 11 13 o 71.27687 4.532337  52.02430       4.507692  61.63054       9.015384  42.41805       9.015384  78.01556 5.777940  64.53819 6.984534  13.47736       9.064673  
1 1 1 34 11 14 o 27.45352 7.912533  2.768466       5.031842  -2.477801      10.06368  8.014733       10.06368  23.85345 10.57551  31.05359 11.77248  -7.200140      15.82507  
1 1 1 34 11 15 o 41.18888 6.773802  17.77822       4.588697  2.887591       9.177394  32.66885       9.177394  26.17955 10.81051  56.19822 8.165200  -30.01866      13.54760  
1 1 1 34 11 16 o 80.16969 4.844373  66.39077       5.470222  59.71500       10.94044  73.06654       10.94044  76.00616 7.197077  84.33321 6.486439  -8.327049      9.688746  
1 1 1 34 11 17 o 33.94624 7.450739  -1.662985      6.194502  30.10528       12.38900  -33.43126      12.38900  51.02878 12.27151  16.86371 8.453651  34.16508       14.90148  
1 1 1 34 11 18 o 26.59634 12.12997  -4.688762      14.40936  -4.688762      14.40936  ?              ?         26.59634 12.12997  ?        ?         ?              ?         
1 1 1 34 11 19 o 83.46440 6.993815  81.30047       8.252983  83.18741       16.50597  79.41351       16.50597  84.59480 9.755899  82.33401 10.02378  2.260780       13.98763  
1 1 1 34 12 0  f 183.6472 3.245577  337.7433       11.91251  337.7433       11.91251  337.7433       11.91251  183.6472 3.245577  183.6472 3.245577  0.000000       0.000000  
1 1 1 34 12 1  o 191.8716 1.677200  368.3632       4.550577  362.3022       9.101154  374.4243       9.101154  190.2921 2.391364  193.4510 2.352315  -3.158920      3.354401  
1 1 1 34 12 2  o 140.9004 1.623802  199.4153       3.216377  224.4602       6.432753  174.3705       6.432753  149.7878 2.147288  132.0130 2.436409  17.77486       3.247605  
1 1 1 34 12 3  o 183.8513 1.581859  338.2198       4.112197  330.9484       8.224394  345.4912       8.224394  181.8737 2.261018  185.8288 2.212896  -3.955032      3.163718  
1 1 1 34 12 4  f 232.9982 1.702242  543.2817       5.608407  533.8423       11.21681  552.7211       11.21681  230.9725 2.428170  235.0238 2.386314  -4.051315      3.404484  
1 1 1 34 12 5  o 71.12045 2.692180  50.69009       2.706521  48.90798       5.413042  52.47219       5.413042  69.86757 3.873788  72.37333 3.739667  -2.505760      5.384360  
1 1 1 34 12 6  o 76.67955 2.893198  58.94784       3.135371  56.49387       6.270743  61.40181       6.270743  75.07940 4.176074  78.27970 4.005344  -3.200302      5.786396  
1 1 1 34 12 7  o 127.3739 2.130313  162.9154       3.821531  145.8567       7.643063  179.9741       7.643063  120.6775 3.166730  134.0702 2.850397  -13.39262      4.260627  
1 1 1 34 12 8  o 119.1649 2.169062  142.7452       3.635697  125.7007       7.271393  159.7896       7.271393  112.0133 3.245773  126.3165 2.878244  -14.30322      4.338125  
1 1 1 34 12 9  o 237.9093 2.026623  567.5117       6.809187  533.0417       13.61837  601.9818       13.61837  230.6650 2.951982  245.1537 2.777518  -14.48874      4.053246  
1 1 1 34 12 10 o 91.62236 2.980826  84.76938       3.831062  97.12980       7.662123  72.40897       7.662123  98.36767 3.894635  84.87706 4.513659  13.49061       5.961653  
1 1 1 34 12 11 o 138.1779 2.421871  192.1344       4.712587  171.8164       9.425174  212.4524       9.425174  130.8258 3.602186  145.5300 3.238224  -14.70421      4.843742  
1 1 1 34 12 12 o 119.7540 2.499399  144.1842       4.226557  153.2711       8.453114  135.0973       8.453114  123.5480 3.420985  115.9600 3.644840  7.587952       4.998799  
1 1 1 34 12 13 o 166.3364 2.356886  278.0951       5.536932  294.4867       11.07386  261.7034       11.07386  171.2637 3.232987  161.4092 3.430370  9.854492       4.713772  
1 1 1 34 12 14 o 54.82222 6.861189  32.09229       5.165262  27.37970       10.33052  36.80487       10.33052  50.07892 10.63521  59.56553 8.671563  -9.486607      13.72238  
1 1 1 34 12 15 o 70.87826 4.380496  51.26665       4.388567  53.14883       8.777133  49.38448       8.777133  72.20601 6.077841  69.55051 6.309900  2.655502       8.760992  
1 1 1 34 12 16 o 62.72176 5.947268  41.30303       5.246267  36.52850       10.49253  46.07757       10.49253  58.91563 8.904711  66.52788 7.885818  -7.612244      11.89454  
1 1 1 34 12 17 o 73.18885 6.761116  59.81983       6.356512  82.35829       12.71302  37.28138       12.71302  88.98719 7.143177  57.39051 11.48154  31.59668       13.52223  
1 1 1 34 12 18 o 45.62650 14.06725  25.96926       14.10441  25.96926       14.10441  ?              ?         45.62650 14.06725  ?        ?         ?              ?         
1 1 1 34 13 0  o 220.8959 3.457611  488.5843       15.26707  488.5843       15.26707  488.5843       15.26707  220.8959 3.457611  220.8959 3.457611  0.000000       0.000000  
1 1 1 34 13 1  o 226.8680 1.661901  514.9633       5.332037  515.3541       10.66407  514.5726       10.66407  226.9541 2.349391  226.7818 2.351175  0.1722260      3.323802  
1 1 1 34 13 2  o 118.2372 1.705130  139.9386       2.849471  145.5517       5.698943  134.3254       5.698943  120.6109 2.362532  115.8635 2.459334  4.747375       3.410261  
1 1 1 34 13 3  o 280.0754 1.906243  785.5678       7.542998  745.5322       15.08600  825.6033       15.08600  272.9282 2.763730  287.2227 2.626184  -14.29459      3.812486  
1 1 1 34 13 4  o 54.96740 3.474080  31.44901       2.549276  19.64134       5.098552  43.25669       5.098552  44.22679 5.764099  65.70802 3.879703  -21.48122      6.948161  
1 1 1 34 13 5  o 234.0026 1.910737  548.0753       6.323157  545.9358       12.64631  550.2148       12.64631  233.5455 2.707463  234.4598 2.696905  -0.9143066     3.821473  
1 1 1 34 13 6  o 541.5698 3.238917  2941.541       24.80660  2931.124       49.61320  2951.957       49.61320  540.6081 4.588647  542.5315 4.572380  -1.923401      6.477835  
1 1 1 34 13 7  o 112.1638 2.147914  125.9962       3.406976  127.2255       6.813953  124.7668       6.813953  112.7119 3.022731  111.6158 3.052414  1.096054       4.295827  
1 1 1 34 13 8  o 123.2667 2.012431  152.2132       3.507041  156.6828       7.014082  147.7437       7.014082  125.0797 2.803846  121.4537 2.887553  3.625938       4.024862  
1 1 1 34 13 9  o 244.6629 1.916992  599.5278       6.632883  598.0458       13.26577  601.0097       13.26577  244.3600 2.714390  244.9657 2.707678  -0.6056976     3.833984  
1 1 1 34 13 10 o 105.1277 2.755291  111.0484       4.093137  105.9736       8.186274  116.1231       8.186274  102.7141 3.984981  107.5413 3.806107  -4.827202      5.510583  
1 1 1 34 13 11 o 50.84787 6.152253  28.81873       4.078841  13.07517       8.157682  44.56230       8.157682  35.32989 10.65963  66.36585 6.145995  -31.03596      12.30451  
1 1 1 34 13 12 o 151.6704 2.445881  231.0406       5.246267  230.4831       10.49253  231.5981       10.49253  151.4867 3.463187  151.8542 3.454804  -0.3675690     4.891763  
1 1 1 34 13 13 f 141.2819 2.499732  200.6447       4.993722  196.4896       9.987444  204.7998       9.987444  139.8114 3.571756  142.7524 3.498171  -2.940979      4.999464  
1 1 1 34 13 14 o 104.5660 3.512636  110.7243       5.189087  116.4566       10.37817  104.9921       10.37817  107.3070 4.835741  101.8250 5.096084  5.481995       7.025273  
1 1 1 34 13 15 o 65.40746 5.022701  43.93808       4.645877  43.57118       9.291754  44.30499       9.291754  65.12698 7.133566  65.68794 7.072648  -0.5609589     10.04540  
1 1 1 34 13 16 o 74.48541 5.097109  58.54281       5.184323  75.46811       10.36865  41.61753       10.36865  85.84689 6.039033  63.12394 8.212927  22.72295       10.19422  
1 1 1 34 13 17 o 65.44826 6.622981  46.80661       5.880013  55.80770       11.76003  37.80553       11.76003  72.73013 8.084701  58.16640 10.49253  14.56373       13.24596  
1 1 1 34 13 18 o 35.88590 14.28028  12.59866       15.33377  12.59866       15.33377  ?              ?         35.88590 14.28028  ?        ?         ?              ?         
1 1 1 34 14 0  o 218.1582 3.899387  476.7670       17.00153  476.7670       17.00153  476.7670       17.00153  218.1582 3.899387  218.1582 3.899387  0.000000       0.000000  
1 1 1 34 14 1  o 175.1543 1.671820  306.9948       4.140787  302.0439       8.281574  311.9456       8.281574  173.7410 2.383310  176.5676 2.345157  -2.826553      3.343640  
1 1 1 34 14 2  o 90.69812 2.269302  82.52507       2.901886  89.94418       5.803772  75.10596       5.803772  94.78812 3.061445  86.60812 3.350594  8.180008       4.538604  
1 1 1 34 14 3  o 207.3018 1.698460  430.3178       4.974662  451.8747       9.949325  408.7610       9.949325  212.5012 2.341004  202.1024 2.461456  10.39877       3.396919  
1 1 1 34 14 4  o 141.5787 1.727788  201.1498       3.445096  222.2301       6.890193  180.0694       6.890193  149.0235 2.311781  134.1340 2.568400  14.88951       3.455576  
1 1 1 34 14 5  o 156.9361 1.723291  246.6127       3.821531  258.1773       7.643063  235.0480       7.643063  160.6206 2.379229  153.2516 2.493633  7.369049       3.446583  
1 1 1 34 14 6  o 101.5133 2.517243  103.2862       3.611871  107.1649       7.223743  99.40748       7.223743  103.4237 3.492305  99.60283 3.626274  3.820900       5.034487  
1 1 1 34 14 7  o 90.81544 2.459599  82.72043       3.154431  77.64095       6.308862  87.79992       6.308862  88.01884 3.583814  93.61205 3.369685  -5.593201      4.919197  
1 1 1 34 14 8  o 167.9437 1.909327  283.3985       4.512457  315.7672       9.024914  251.0298       9.024914  177.5805 2.541077  158.3070 2.850447  19.27350       3.818655  
1 1 1 34 14 9  o 280.5482 2.020415  788.8890       8.009969  824.4312       16.01994  753.3468       16.01994  286.8826 2.792072  274.2138 2.921067  12.66882       4.040829  
1 1 1 34 14 10 o 119.3326 2.245281  143.5743       3.759587  164.1543       7.519173  122.9942       7.519173  127.9555 2.938198  110.7096 3.395900  17.24596       4.490562  
1 1 1 34 14 11 o 128.5490 2.437521  166.6178       4.402863  188.2652       8.805723  144.9704       8.805723  136.9689 3.214498  120.1291 3.665109  16.83980       4.875041  
1 1 1 34 14 12 o 78.52223 3.850896  62.54541       4.255147  55.45509       8.510294  69.63574       8.510294  74.00738 5.749626  83.03708 5.124394  -9.029701      7.701793  
1 1 1 34 14 13 o 56.11669 5.453817  33.43126       4.059782  43.27575       8.119563  23.58676       8.119563  65.21670 6.225064  47.01668 8.956845  18.20002       10.90763  
1 1 1 34 14 14 o 135.0711 2.782729  184.0958       5.303447  169.8723       10.60689  198.3194       10.60689  129.8059 4.085675  140.3363 3.779099  -10.53040      5.565458  
1 1 1 34 14 15 o 76.45007 4.476024  59.82460       4.831712  56.03642       9.663424  63.61277       9.663424  73.97253 6.531765  78.92762 6.121700  -4.955093      8.952048  
1 1 1 34 14 16 o 103.9089 3.699058  110.5909       5.389217  126.9301       10.77843  94.25173       10.77843  111.7712 4.821651  96.04666 5.611041  15.72453       7.398115  
1 1 1 34 14 17 o 126.3475 3.554589  163.5491       6.332687  149.3828       12.66537  177.7155       12.66537  120.7414 5.244837  131.9536 4.799178  -11.21221      7.109179  
1 1 1 34 14 18 o 46.28992 14.37654  26.96991       14.69527  26.96991       14.69527  ?              ?         46.28992 14.37654  ?        ?         ?              ?         
1 1 1 34 15 0  o 240.0849 3.755153  577.3181       18.02124  577.3181       18.02124  577.3181       18.02124  240.0849 3.755153  240.0849 3.755153  0.000000       0.000000  
1 1 1 34 15 1  o 48.87253 4.264531  25.47847       2.649341  14.72386       5.298682  36.23308       5.298682  37.62232 7.302546  60.12274 4.406554  -22.50042      8.529061  
1 1 1 34 15 2  o 214.6475 1.656762  461.4761       5.022312  489.3752       10.04462  433.5771       10.04462  221.1463 2.271036  208.1487 2.412848  12.99762       3.313523  
1 1 1 34 15 3  o 302.2831 1.998548  914.6754       8.543649  914.4801       17.08730  914.8708       17.08730  302.2508 2.826675  302.3155 2.826071  -0.6463623E-01 3.997095  
1 1 1 34 15 4  o 103.3995 2.128710  107.0648       3.111546  110.5576       6.223093  103.5721       6.223093  105.0885 2.960882  101.7106 3.059216  3.377907       4.257421  
1 1 1 34 15 5  o 94.72890 2.483917  89.92512       3.325971  93.19392       6.651943  86.65632       6.651943  96.45424 3.448238  93.00356 3.576177  3.450684       4.967835  
1 1 1 34 15 6  o 136.2610 2.027139  186.0352       3.902537  195.4985       7.805074  176.5719       7.805074  139.7335 2.792843  132.7885 2.938911  6.944992       4.054278  
1 1 1 34 15 7  o 188.4998 1.853295  356.1887       4.931777  331.8061       9.863553  380.5712       9.863553  182.0323 2.709287  194.9673 2.529541  -12.93503      3.706590  
1 1 1 34 15 8  o 252.1675 1.861425  637.1522       6.632883  666.5189       13.26577  607.7856       13.26577  257.9904 2.570981  246.3447 2.692522  11.64571       3.722850  
1 1 1 34 15 9  o 197.9270 1.953361  392.6028       5.465457  405.4826       10.93091  379.7230       10.93091  201.1807 2.716691  194.6733 2.807502  6.507339       3.906722  
1 1 1 34 15 10 o 173.1450 2.060967  300.5716       5.046137  296.0496       10.09227  305.0936       10.09227  171.8392 2.936546  174.4509 2.892584  -2.611679      4.121934  
1 1 1 34 15 11 o 130.6077 2.541069  171.3590       4.693527  171.7593       9.387053  170.9587       9.387053  130.7609 3.589396  130.4545 3.597828  0.3064728      5.082139  
1 1 1 34 15 12 o 165.3859 2.405476  274.8310       5.622702  263.7047       11.24540  285.9573       11.24540  162.0222 3.470329  168.7496 3.331979  -6.727463      4.810953  
1 1 1 34 15 13 o 166.4431 2.458555  278.7669       5.784712  269.5847       11.56942  287.9491       11.56942  163.6847 3.534058  169.2014 3.418832  -5.516693      4.917110  
1 1 1 34 15 14 o 139.8736 3.020871  197.4521       5.975312  195.1649       11.95062  199.7393       11.95062  139.0560 4.297056  140.6911 4.247113  -1.635178      6.041743  
1 1 1 34 15 15 o 172.4544 2.512524  299.8521       6.123027  313.3084       12.24605  286.3957       12.24605  176.3559 3.471973  168.5530 3.632702  7.802856       5.025049  
1 1 1 34 15 16 f 107.6128 3.762497  118.4294       5.718002  111.3390       11.43600  125.5197       11.43600  104.3184 5.481298  110.9071 5.155667  -6.588737      7.524994  
1 1 1 34 15 17 o 91.31030 5.636693  88.56233       7.214212  101.4088       14.42842  75.71588       14.42842  98.34480 7.335632  84.27581 8.560242  14.06899       11.27339  
1 1 1 34 15 18 o 134.3784 4.392601  189.2992       8.286338  163.9828       16.57268  214.6157       16.57268  124.9586 6.631267  143.7983 5.762474  -18.83968      8.785203  
1 1 1 34 16 0  o 47.11621 9.156070  24.57788       7.709774  24.57788       7.709774  24.57788       7.709774  47.11621 9.156070  47.11621 9.156070  0.000000       0.000000  
1 1 1 34 16 1  o 91.47733 2.243877  83.80686       2.901886  86.32277       5.803772  81.29093       5.803772  92.85249 3.125265  90.10217 3.220662  2.750320       4.487755  
1 1 1 34 16 2  o 93.30865 2.192621  87.18999       2.892356  89.82029       5.784712  84.55973       5.784712  94.71811 3.053646  91.89920 3.147314  2.818909       4.385241  
1 1 1 34 16 3  o 66.05511 3.325196  43.83802       3.097251  47.67861       6.194502  39.99743       6.194502  68.96223 4.491229  63.14801 4.904749  5.814217       6.650391  
1 1 1 34 16 4  o 209.1092 1.745053  437.6416       5.160498  440.0956       10.32100  435.1876       10.32100  209.6959 2.460943  208.5224 2.474793  1.173553       3.490106  
1 1 1 34 16 5  o 89.18820 2.669184  80.13781       3.340266  91.65958       6.680532  68.61603       6.680532  95.64745 3.492269  82.72895 4.037602  12.91850       5.338368  
1 1 1 34 16 6  o 94.23106 2.518048  89.00547       3.354562  91.58334       6.709123  86.42761       6.709123  95.59891 3.508996  92.86321 3.612368  2.735695       5.036095  
1 1 1 34 16 7  o 156.9763 1.927712  246.8080       4.278972  251.2109       8.557944  242.4052       8.557944  158.3788 2.701734  155.5740 2.750443  2.804794       3.855424  
1 1 1 34 16 8  o 151.0874 2.069301  228.8392       4.417156  217.1888       8.834313  240.4897       8.834313  147.2319 3.000135  154.9430 2.850827  -7.711060      4.138602  
1 1 1 34 16 9  o 163.7876 1.894012  268.9510       4.383801  280.9826       8.767603  256.9194       8.767603  167.4605 2.617813  160.1146 2.737915  7.345856       3.788023  
1 1 1 34 16 10 o 101.0290 3.018463  102.7954       4.302797  110.7768       8.605594  94.81401       8.605594  104.9790 4.098720  97.07896 4.432265  7.900093       6.036926  
1 1 1 34 16 11 o 126.5989 2.581667  161.0380       4.622052  162.3150       9.244103  159.7610       9.244103  127.1033 3.636454  126.0946 3.665544  1.008705       5.163333  
1 1 1 34 16 12 o 63.86504 4.873277  42.63247       4.217027  56.37950       8.434053  28.88544       8.434053  74.62759 5.650761  53.10248 7.941299  21.52512       9.746554  
1 1 1 34 16 13 o 77.74306 4.291174  61.55430       4.717352  62.65977       9.434704  60.44881       9.434704  78.45404 6.012886  77.03207 6.123880  1.421967       8.582349  
1 1 1 34 16 14 o 33.26600 8.551817  9.968384       5.322507  5.822832       10.64501  14.11394       10.64501  29.78858 11.88435  36.74342 12.30027  -6.954844      17.10363  
1 1 1 34 16 15 o 78.32520 4.891571  63.26494       5.417807  62.28811       10.83561  64.24175       10.83561  77.70162 6.972579  78.94876 6.862435  -1.247139      9.783142  
1 1 1 34 16 16 o 29.66177 8.547797  3.864417       5.965783  -3.878712      11.93157  11.60754       11.93157  24.88138 11.24628  34.44217 12.87558  -9.560789      17.09559  
1 1 1 34 16 17 o 29.55576 8.863069  1.586746       6.804423  11.27399       13.60885  -8.100503      13.60885  34.50835 13.53998  24.60316 11.44050  9.905199       17.72614  
1 1 1 34 16 18 o 23.46347 11.25603  -14.12347      15.18130  -14.12347      15.18130  ?              ?         23.46347 11.25603  ?        ?         ?              ?         
1 1 1 34 17 0  o 38.24010 12.30805  18.63116       8.281574  18.63116       8.281574  18.63116       8.281574  38.24010 12.30805  38.24010 12.30805  0.000000       0.000000  
1 1 1 34 17 1  o 111.7508 1.930529  125.1671       3.044836  134.3349       6.089673  115.9992       6.089673  115.8527 2.628196  107.6489 2.828489  8.203842       3.861058  
1 1 1 34 17 2  o 250.9310 1.846798  630.3383       6.551878  613.0460       13.10376  647.6305       13.10376  247.4854 2.647380  254.3766 2.575660  -6.891220      3.693595  
1 1 1 34 17 3  o 70.79547 3.067917  50.28506       3.068661  52.81528       6.137322  47.75485       6.137322  72.58246 4.227828  69.00848 4.446788  3.573975       6.135833  
1 1 1 34 17 4  o 116.0411 1.969788  135.6644       3.202081  157.0545       6.404162  114.2743       6.404162  125.2577 2.556395  106.8245 2.997517  18.43321       3.939576  
1 1 1 34 17 5  o 210.3189 1.792716  442.8163       5.332037  439.0759       10.66407  446.5569       10.66407  209.4297 2.545980  211.2082 2.524541  -1.778519      3.585432  
1 1 1 34 17 6  o 131.8156 2.083217  174.1799       3.878712  184.0816       7.757423  164.2782       7.757423  135.5715 2.861008  128.0597 3.028830  7.511765       4.166435  
1 1 1 34 17 7  o 111.1988 2.444209  124.9479       3.797706  147.0956       7.595412  102.8001       7.595412  121.1574 3.134523  101.2402 3.751186  19.91725       4.888418  
1 1 1 34 17 8  o 57.87672 4.693598  34.50815       3.726231  24.96861       7.452463  44.04768       7.452463  49.63547 7.507195  66.11797 5.635732  -16.48250      9.387196  
1 1 1 34 17 9  f 117.1676 2.586423  138.3852       4.259912  155.7965       8.519823  120.9739       8.519823  124.5977 3.418933  109.7375 3.881910  14.86019       5.172845  
1 1 1 34 17 10 o 209.4464 1.958724  440.2100       5.794242  466.0363       11.58848  414.3837       11.58848  215.6118 2.687349  203.2811 2.850360  12.33076       3.917448  
1 1 1 34 17 11 o 32.50666 7.622999  10.23999       4.231322  14.44749       8.462644  6.032492       8.462644  36.82467 10.79757  28.18865 10.76350  8.636013       15.24600  
1 1 1 34 17 12 o 158.5912 2.548129  252.9549       5.713237  245.7598       11.42647  260.1501       11.42647  156.3228 3.654769  160.8597 3.551690  -4.536911      5.096257  
1 1 1 34 17 13 o 122.2256 3.019286  151.0029       5.203382  164.3259       10.40676  137.6800       10.40676  127.6758 4.075467  116.7755 4.455887  10.90030       6.038573  
1 1 1 34 17 14 o 183.0855 2.661930  337.9530       6.885427  355.2690       13.77085  320.6370       13.77085  187.8144 3.666080  178.3565 3.860485  9.457886       5.323861  
1 1 1 34 17 15 o 48.02566 7.341944  25.87873       5.489282  45.19128       10.97856  6.566173       10.97856  65.73015 8.351240  30.32117 12.07781  35.40898       14.68389  
1 1 1 34 17 16 o 68.80702 5.957549  50.16118       5.760887  56.28420       11.52177  44.03815       11.52177  73.25644 7.864002  64.35760 8.951371  8.898842       11.91510  
1 1 1 34 17 17 o 48.76923 9.324496  29.21423       6.818718  38.04378       13.63744  20.38468       13.63744  56.48991 12.40793  41.04853 13.92222  15.44138       18.64899  
1 1 1 34 17 18 o 59.39572 9.404832  47.83585       7.714538  49.77521       15.42908  45.89650       15.42908  60.98476 13.03127  57.80667 13.56427  3.178089       18.80966  
1 1 1 34 18 0  o 94.21410 4.795711  89.59156       8.986794  89.59156       8.986794  89.59156       8.986794  94.21410 4.795711  94.21410 4.795711  0.000000       0.000000  
1 1 1 34 18 1  o 71.61055 3.066284  51.71457       3.078191  43.87614       6.156383  59.55299       6.156383  66.13760 4.654223  77.08351 3.993320  -10.94592      6.132568  
1 1 1 34 18 2  o 49.33130 4.197347  24.47782       2.925711  25.65477       5.851423  23.30086       5.851423  50.52420 5.790712  48.13839 6.077709  2.385818       8.394694  
1 1 1 34 18 3  o 64.02844 3.432955  41.62229       3.054366  50.48996       6.108732  32.75462       6.108732  70.95323 4.304760  57.10366 5.348810  13.84958       6.865911  
1 1 1 34 18 4  o 183.5710 1.745098  337.5003       4.526752  353.1724       9.053504  321.8282       9.053504  187.8397 2.409901  179.3024 2.524647  8.537338       3.490196  
1 1 1 34 18 5  o 156.4813 1.966590  245.4453       4.345681  260.7123       8.691362  230.1782       8.691362  161.3595 2.693167  151.6030 2.866487  9.756485       3.933179  
1 1 1 34 18 6  o 85.00319 3.112049  72.67581       3.730997  78.80360       7.461993  66.54802       7.461993  88.60764 4.210694  81.39874 4.583605  7.208900       6.224097  
1 1 1 34 18 7  o 97.45559 2.724882  95.29050       3.754822  93.18438       7.509643  97.39664       7.509643  96.37503 3.896052  98.53615 3.810603  -2.161118      5.449763  
1 1 1 34 18 8  o 62.69770 4.819950  42.98985       3.702406  21.76653       7.404812  64.21317       7.404812  45.50366 8.452876  79.89174 4.634280  -34.38808      9.639899  
1 1 1 34 18 9  f 167.9558 2.186742  282.9077       5.193852  279.9343       10.38770  285.8810       10.38770  167.0707 3.108776  168.8410 3.076180  -1.770325      4.373485  
1 1 1 34 18 10 o 101.2162 2.922268  103.2814       4.169377  112.8257       8.338754  93.73711       8.338754  105.9310 3.935935  96.50140 4.320535  9.429626       5.844537  
1 1 1 34 18 11 o 77.99690 3.823131  61.50665       4.217027  61.16356       8.434053  61.84972       8.434053  77.77697 5.421947  78.21684 5.391457  -0.4398727     7.646262  
1 1 1 34 18 12 o 123.6476 2.969458  154.9007       5.155732  175.9429       10.31146  133.8584       10.31146  132.1565 3.901231  115.1386 4.477848  17.01793       5.938916  
1 1 1 34 18 13 o 158.5638 2.715153  253.6125       6.075377  234.5143       12.15075  272.7106       12.15075  152.5415 3.982769  164.5860 3.691309  -12.04446      5.430305  
1 1 1 34 18 14 o 47.80735 8.483501  25.63571       5.741827  23.39616       11.48365  27.87526       11.48365  45.62645 12.30259  49.98826 11.68441  -4.361816      16.96700  
1 1 1 34 18 15 o 52.80676 7.957210  31.22982       5.765652  31.42995       11.53130  31.02969       11.53130  52.99535 11.22289  52.61816 11.28341  0.3771858      15.91442  
1 1 1 34 18 16 o 39.55878 9.353418  17.95453       6.175443  19.94630       12.35089  15.96276       12.35089  41.28440 13.23372  37.83316 13.22174  3.451244       18.70684  
1 1 1 34 18 17 o 89.40714 5.463313  84.91710       6.904487  82.03427       13.80897  87.79992       13.80897  87.79495 7.864333  91.01933 7.585737  -3.224380      10.92663  
1 1 1 34 19 0  o 34.17595 12.60232  15.75310       7.948023  15.75310       7.948023  15.75310       7.948023  34.17595 12.60232  34.17595 12.60232  0.000000       0.000000  
1 1 1 34 19 1  o 95.22394 2.402475  91.01629       3.225906  83.01586       6.451812  99.01674       6.451812  91.02309 3.544053  99.42480 3.244569  -8.401711      4.804949  
1 1 1 34 19 2  o 115.6830 2.166237  134.8353       3.511806  113.9789       7.023612  155.6917       7.023612  106.6685 3.292263  124.6974 2.816262  -18.02894      4.332473  
1 1 1 34 19 3  o 135.7277 1.964186  184.4913       3.769116  179.3547       7.538233  189.6280       7.538233  133.8354 2.816232  137.6200 2.738786  -3.784546      3.928373  
1 1 1 34 19 4  o 137.0036 2.009433  187.9841       3.893007  185.2156       7.786013  190.7525       7.786013  135.9932 2.862647  138.0140 2.820734  -2.020721      4.018867  
1 1 1 34 19 5  o 100.3900 2.604810  101.3278       3.683347  111.7393       7.366693  90.91624       7.366693  105.5756 3.488825  95.20447 3.868880  10.37109       5.209619  
1 1 1 34 19 6  o 58.47137 4.035948  34.78928       3.283086  27.64654       6.566173  41.93202       6.566173  52.36348 6.269802  64.57927 5.083808  -12.21579      8.071897  
1 1 1 34 19 7  o 110.0609 2.627167  122.5940       4.035956  145.2182       8.071913  99.96974       8.071913  120.3390 3.353823  99.78289 4.044738  20.55608       5.254335  
1 1 1 34 19 8  o 60.23300 4.638091  37.35285       3.850122  27.84667       7.700243  46.85903       7.700243  52.34183 7.355726  68.12417 5.651624  -15.78234      9.276182  
1 1 1 34 19 9  o 194.8519 2.081260  380.8952       5.732297  394.7613       11.46459  367.0291       11.46459  198.4101 2.889117  191.2938 2.996594  7.116272       4.162519  
1 1 1 34 19 10 o 78.46120 4.198288  64.57054       4.402863  40.76936       8.805723  88.37173       8.805723  63.29371 6.956239  93.62869 4.702471  -30.33498      8.396576  
1 1 1 34 19 11 f 85.33566 4.005396  74.63898       4.741177  91.16402       9.482354  58.11396       9.482354  95.01804 4.989766  75.65330 6.266980  19.36474       8.010793  
1 1 1 34 19 12 o 28.35947 7.577775  4.278972       4.622052  -3.993072      9.244103  12.55101       9.244103  21.96415 9.914886  34.75478 11.46236  -12.79063      15.15555  
1 1 1 34 19 13 o 59.70262 6.143267  37.15749       5.155732  41.67470       10.31146  32.64026       10.31146  63.48573 8.121089  55.91952 9.219915  7.566208       12.28653  
1 1 1 34 19 14 o 91.24291 4.869893  86.42284       6.199268  70.59827       12.39854  102.2474       12.39854  82.57124 7.507781  99.91458 6.204568  -17.34334      9.739786  
1 1 1 34 19 15 o 64.32417 6.455190  44.05721       5.870482  42.91360       11.74096  45.20081       11.74096  63.43523 9.254292  65.21310 9.001999  -1.777863      12.91038  
1 1 1 34 19 16 o 37.68681 9.543324  15.57203       6.499463  12.75115       12.99893  18.39291       12.99893  35.47207 13.39952  39.90154 13.59239  -4.429470      19.08665  
1 1 1 34 19 17 o 76.09807 6.893478  65.62837       6.861602  86.45619       13.72320  44.80055       13.72320  90.19347 7.607649  62.00267 11.49799  28.19080       13.78696  
1 1 1 34 20 0  o 65.94064 6.936432  45.07692       8.967733  45.07692       8.967733  45.07692       8.967733  65.94064 6.936432  65.94064 6.936432  0.000000       0.000000  
1 1 1 34 20 1  o 60.18418 3.663546  37.02407       3.035306  46.71608       6.070612  27.33205       6.070612  68.23614 4.448238  52.13222 5.822324  16.10392       7.327092  
1 1 1 34 20 2  o 31.98174 6.184476  10.28764       3.159196  3.859652       6.318392  16.71563       6.318392  24.02678 9.266992  39.93669 8.192305  -15.90991      12.36895  
1 1 1 34 20 3  o 147.9658 1.958781  219.2854       4.097902  213.8438       8.195804  224.7270       8.195804  146.1270 2.804343  149.8046 2.735498  -3.677628      3.917562  
1 1 1 34 20 4  o 74.90494 3.286267  56.84171       3.435566  46.32535       6.871132  67.35807       6.871132  67.88513 5.060853  81.92474 4.193564  -14.03960      6.572534  
1 1 1 34 20 5  o 127.0345 2.158604  161.9386       3.869182  149.3542       7.738363  174.5230       7.738363  122.0814 3.169347  131.9876 2.931473  -9.906258      4.317209  
1 1 1 34 20 6  o 78.00076 3.312210  61.23980       3.645226  66.02386       7.290452  56.45575       7.290452  81.06744 4.496536  74.93409 4.864577  6.133354       6.624421  
1 1 1 34 20 7  o 68.16361 4.101915  47.31647       3.902537  38.62511       7.805074  56.00784       7.805074  61.78824 6.315987  74.53899 5.235565  -12.75075      8.203830  
1 1 1 34 20 8  o 65.94264 4.140550  44.32881       3.807237  52.75810       7.614474  35.89952       7.614474  72.33402 5.263411  59.55127 6.393209  12.78276       8.281100  
1 1 1 34 20 9  o 68.55258 4.335973  47.75961       4.183672  53.05353       8.367344  42.46569       8.367344  72.41380 5.777452  64.69138 6.467125  7.722420       8.671947  
1 1 1 34 20 10 o 55.16009 5.934846  32.36389       4.355212  22.86248       8.710423  41.86530       8.710423  46.17433 9.736101  64.14584 6.789546  -17.97152      11.86969  
1 1 1 34 20 11 o 85.65138 4.081431  74.56750       4.931777  80.48088       9.863553  68.65415       9.863553  89.10338 5.534894  82.19939 5.999773  6.903984       8.162863  
1 1 1 34 20 12 o 105.5303 3.526287  112.9353       5.246267  123.1086       10.49253  102.7620       10.49253  110.3504 4.754189  100.7103 5.209268  9.640144       7.052573  
1 1 1 34 20 13 o 97.89047 3.983944  97.46335       5.513107  94.34704       11.02621  100.5797       11.02621  96.29874 5.725004  99.48221 5.541802  -3.183464      7.967888  
1 1 1 34 20 14 o 42.03107 8.859557  19.61275       5.951487  27.51312       11.90297  11.71237       11.90297  49.19531 12.15301  34.86683 12.89463  14.32848       17.71911  
1 1 1 34 20 15 o 45.43924 8.970081  23.76783       6.418458  34.82264       12.83692  12.71302       12.83692  55.13317 11.97704  35.74530 13.35665  19.38787       17.94016  
1 1 1 34 20 16 o 63.32049 8.444652  46.60648       7.333338  56.61775       14.66668  36.59521       14.66668  71.70697 10.22681  54.93401 13.44101  16.77296       16.88930  
1 1 1 34 20 17 o 65.18953 8.770514  51.88135       7.790778  52.63421       15.58156  51.12847       15.58156  65.76753 12.30180  64.61153 12.50414  1.156006       17.54103  
1 1 1 34 21 0  o 145.6210 3.929694  212.8240       11.42647  212.8240       11.42647  212.8240       11.42647  145.6210 3.929694  145.6210 3.929694  0.000000       0.000000  
1 1 1 34 21 1  o 217.0735 1.868631  472.0640       5.732297  492.8346       11.46459  451.2933       11.46459  221.8577 2.583772  212.2892 2.700230  9.568481       3.737261  
1 1 1 34 21 2  o 32.61495 6.577035  11.06433       3.206846  9.139274       6.413693  12.98940       6.413693  30.13357 9.524059  35.09632 9.073139  -4.962748      13.15407  
1 1 1 34 21 3  o 215.7336 1.856580  466.2697       5.660822  447.4337       11.32164  485.1057       11.32164  211.3680 2.678184  220.0991 2.571942  -8.731125      3.713160  
1 1 1 34 21 4  o 94.67651 2.737428  89.93465       3.664287  92.26950       7.328573  87.59980       7.328573  95.90958 3.820564  93.44345 3.921395  2.466133       5.474855  
1 1 1 34 21 5  o 90.82993 3.031204  82.84909       3.893007  84.60737       7.786013  81.09080       7.786013  91.79782 4.240849  89.86202 4.332205  1.935799       6.062408  
1 1 1 34 21 6  o 95.88129 2.980795  92.40291       4.040722  89.88700       8.081444  94.91885       8.081444  94.56929 4.272763  97.19328 4.157408  -2.623993      5.961589  
1 1 1 34 21 7  o 153.9971 2.196074  237.9499       4.779297  248.3043       9.558595  227.5955       9.558595  157.3590 3.037194  150.6353 3.172761  6.723740       4.392148  
1 1 1 34 21 8  o 92.27420 3.445557  86.63726       4.431452  69.89305       8.862904  103.3815       8.862904  83.20112 5.326192  101.3473 4.372541  -18.14616      6.891113  
1 1 1 34 21 9  o 33.18577 6.113538  8.891493       3.897772  23.72971       7.795544  -5.946723      7.795544  47.40623 8.533084  18.96531 8.757161  28.44092       12.22708  
1 1 1 34 21 10 o 198.7142 2.163858  396.7341       6.070612  370.1167       12.14122  423.3513       12.14122  192.0168 3.161500  205.4116 2.955341  -13.39476      4.327715  
1 1 1 34 21 11 o 124.8396 3.052669  157.3118       5.389217  155.5297       10.77843  159.0939       10.77843  124.1258 4.341739  125.5533 4.292373  -1.427528      6.105339  
1 1 1 34 21 12 o 119.1149 3.268154  143.4265       5.503577  147.5626       11.00715  139.2905       11.00715  120.8510 4.554018  117.3787 4.688736  3.472305       6.536308  
1 1 1 34 21 13 o 121.4777 3.558384  150.1357       6.084907  133.7441       12.16981  166.5273       12.16981  114.7310 5.303631  128.2245 4.745512  -13.49349      7.116767  
1 1 1 34 21 14 f 42.13011 8.310947  17.82587       6.280273  -0.3526102     12.56055  36.00435       12.56055  27.51077 12.03216  56.74944 11.46798  -29.23867      16.62189  
1 1 1 34 21 15 o 25.53468 8.129479  -3.974012      6.246917  -8.605594      12.49383  0.6575702      12.49383  23.44039 10.92373  27.62898 12.04267  -4.188597      16.25896  
1 1 1 34 21 16 o 42.65318 7.378094  13.46113       6.828248  -19.24108      13.65650  46.16334       13.65650  21.06284 10.23601  64.24352 10.62870  -43.18068      14.75619  
1 1 1 34 21 17 o 41.21204 15.07192  25.99785       16.21054  25.99785       16.21054  ?              ?         41.21204 15.07192  ?        ?         ?              ?         
1 1 1 34 22 0  o 177.7484 3.673452  316.7964       13.04657  316.7964       13.04657  316.7964       13.04657  177.7484 3.673452  177.7484 3.673452  0.000000       0.000000  
1 1 1 34 22 1  o 94.19223 2.596293  89.20084       3.445096  80.18546       6.890193  98.21622       6.890193  89.40660 3.853291  98.97785 3.480674  -9.571251      5.192585  
1 1 1 34 22 2  o 224.8341 1.945589  506.3815       6.184973  494.4643       12.36995  518.2988       12.36995  222.1839 2.783718  227.4844 2.718856  -5.300461      3.891177  
1 1 1 34 22 3  o 301.3580 2.082203  909.9391       8.872433  929.8330       17.74487  890.0452       17.74487  304.6587 2.912253  298.0573 2.976754  6.601410       4.164407  
1 1 1 34 22 4  o 27.03915 6.829131  5.260563       3.588047  -0.2859001     7.176094  10.80702       7.176094  21.58794 9.262703  32.49035 10.03745  -10.90241      13.65826  
1 1 1 34 22 5  o 141.8683 2.137827  201.7883       4.288502  205.8862       8.577003  197.6904       8.577003  143.3126 2.992410  140.4241 3.053964  2.888535       4.275654  
1 1 1 34 22 6  o 38.00039 6.971404  15.27183       4.021661  7.890843       8.043323  22.65282       8.043323  29.71125 10.64097  46.28952 9.009534  -16.57826      13.94281  
1 1 1 34 22 7  o 139.2030 2.438103  194.9220       4.784062  176.8388       9.568124  213.0051       9.568124  132.7078 3.604960  145.6983 3.283541  -12.99051      4.876205  
1 1 1 34 22 8  o 28.33541 7.141794  5.022312       4.121727  -3.297381      8.243454  13.34200       8.243454  21.09308 9.448796  35.57773 10.71173  -14.48465      14.28359  
1 1 1 34 22 9  o 120.0481 2.790031  145.3516       4.717352  130.2847       9.434704  160.4186       9.434704  113.7727 4.146296  126.3234 3.734344  -12.55075      5.580062  
1 1 1 34 22 10 o 54.19543 6.647465  31.65867       4.846007  22.05243       9.692014  41.26492       9.692014  44.95476 10.88108  63.43609 7.639195  -18.48133      13.29493  
1 1 1 34 22 11 o 76.63321 4.930269  60.35827       5.308212  52.58656       10.61642  68.13000       10.61642  71.56248 7.417591  81.70393 6.496887  -10.14146      9.860538  
1 1 1 34 22 12 o 34.05601 8.917326  10.57831       5.703707  11.24540       11.40741  9.911204       11.40741  34.59550 12.64424  33.51652 12.57768  1.078979       17.83465  
1 1 1 34 22 13 f 100.8837 4.521646  104.5632       6.437518  112.1872       12.87504  96.93920       12.87504  104.6623 6.150751  97.10509 6.629434  7.557220       9.043292  
1 1 1 34 22 14 o 71.85860 6.742654  55.58375       6.771068  64.77544       13.54214  46.39206       13.54214  78.25427 8.652649  65.46292 10.34336  12.79135       13.48531  
1 1 1 34 22 15 o 76.56764 6.384966  62.99332       6.899723  58.66670       13.79945  67.31995       13.79945  73.74229 9.356536  79.39301 8.690593  -5.650719      12.76993  
1 1 1 34 22 16 o 67.62018 8.219077  54.19237       7.357163  34.16507       14.71433  74.21967       14.71433  52.44309 13.82954  82.79726 8.885756  -30.35417      16.43815  
1 1 1 34 23 0  o 37.41246 13.53268  18.80270       9.263164  18.80270       9.263164  18.80270       9.263164  37.41246 13.53268  37.41246 13.53268  0.000000       0.000000  
1 1 1 34 23 1  o 154.5418 2.070465  239.3794       4.521987  229.1394       9.043974  249.6194       9.043974  151.2288 2.990163  157.8548 2.864650  -6.626038      4.140929  
1 1 1 34 23 2  o 235.6926 2.004884  556.6190       6.680532  572.8581       13.36106  540.3798       13.36106  239.1376 2.793593  232.2477 2.876469  6.889954       4.009768  
1 1 1 34 23 3  o 106.6688 2.601047  114.2886       3.916832  106.4883       7.833663  122.0889       7.833663  103.0124 3.802290  110.3251 3.550264  -7.312630      5.202094  
1 1 1 34 23 4  o 56.48032 5.443304  35.63268       3.745291  16.26772       7.490582  54.99765       7.490582  39.06560 9.634811  73.89503 5.068394  -34.82944      10.88661  
1 1 1 34 23 5  o 86.02193 3.358639  74.70094       4.069312  66.99593       8.138623  82.40594       8.138623  81.54341 4.990363  90.50044 4.496455  -8.957031      6.717278  
1 1 1 34 23 6  o 60.85889 4.552143  37.51486       3.916832  36.50945       7.833663  38.52028       7.833663  60.03286 6.524479  61.68491 6.349740  -1.652050      9.104286  
1 1 1 34 23 7  o 76.13764 3.992082  59.24804       4.226557  71.53220       8.453114  46.96386       8.453114  84.20473 5.019382  68.07056 6.209082  16.13417       7.984165  
1 1 1 34 23 8  o 54.69827 5.501080  30.59608       4.255147  30.24823       8.510294  30.94392       8.510294  54.38031 7.824794  55.01624 7.734347  -0.6359329     11.00216  
1 1 1 34 23 9  o 180.6389 2.358681  327.8035       6.022963  338.8107       12.04593  316.7964       12.04593  183.6856 3.278952  177.5921 3.391458  6.093460       4.717363  
1 1 1 34 23 10 o 118.2947 3.237793  144.6940       5.222442  101.1229       10.44488  188.2652       10.44488  99.87835 5.228803  136.7111 3.820057  -36.83274      6.475586  
1 1 1 34 23 11 o 128.8087 3.078671  167.9234       5.584582  150.3263       11.16916  185.5206       11.16916  121.9780 4.578351  135.6395 4.117226  -13.66144      6.157341  
1 1 1 34 23 12 o 38.82642 9.134967  15.81028       5.984842  20.35609       11.96968  11.26446       11.96968  42.77633 12.91337  34.87651 12.92422  7.899818       18.26993  
1 1 1 34 23 13 o 47.24111 9.439728  25.75484       6.585233  26.43623       13.17047  25.07344       13.17047  47.85828 13.29335  46.62393 13.40599  1.234352       18.87946  
1 1 1 34 23 14 o 53.09337 8.775315  32.70221       7.037908  16.54409       14.07582  48.86033       14.07582  39.10490 14.06956  67.08185 10.49152  -27.97695      17.55063  
1 1 1 34 23 15 o 36.41373 9.401736  14.38554       6.308862  15.09553       12.61772  13.67556       12.61772  36.97040 13.31901  35.85706 13.27308  1.113335       18.80347  
1 1 1 34 23 16 o 81.27442 6.756012  73.37150       7.757423  69.93117       15.51485  76.81183       15.51485  79.15793 9.799932  83.39091 9.302481  -4.232986      13.51202  
1 1 1 34 24 0  o 151.1790 4.100985  229.5397       12.37947  229.5397       12.37947  229.5397       12.37947  151.1790 4.100985  151.1790 4.100985  0.000000       0.000000  
1 1 1 34 24 1  o 130.6061 2.231753  171.0302       4.121727  173.8749       8.243454  168.1855       8.243454  131.6951 3.129749  129.5170 3.182382  2.178085       4.463506  
1 1 1 34 24 2  o 137.1678 2.240593  188.6893       4.345681  184.7296       8.691362  192.6490       8.691362  135.7244 3.201843  138.6112 3.135160  -2.886765      4.481185  
1 1 1 34 24 3  o 81.62940 3.299297  67.08170       3.807237  69.25454       7.614474  64.90885       7.614474  82.96032 4.589226  80.29848 4.741356  2.661835       6.598595  
1 1 1 34 24 4  o 83.35286 3.254068  69.92165       3.835827  69.61668       7.671653  70.22660       7.671653  83.16992 4.612036  83.53579 4.591836  -0.3658676     6.508136  
1 1 1 34 24 5  o 127.7069 2.525407  163.9732       4.550577  176.7149       9.101154  151.2316       9.101154  132.6955 3.429338  122.7183 3.708149  9.977226       5.050815  
1 1 1 34 24 6  o 77.69289 3.939643  62.82655       4.131257  84.06416       8.262513  41.58894       8.262513  91.36057 4.521925  64.02522 6.452545  27.33534       7.879286  
1 1 1 34 24 7  o 110.7897 3.019973  123.5565       4.731647  122.8799       9.463295  124.2331       9.463295  110.4843 4.282642  111.0950 4.259099  -0.6107254     6.039946  
1 1 1 34 24 8  o 70.65766 4.605322  50.84734       4.583931  55.94112       9.167863  45.75355       9.167863  74.26221 6.172630  67.05311 6.836271  7.209106       9.210645  
1 1 1 34 24 9  o 19.95340 6.600630  -8.681833      4.664937  -10.95950      9.329873  -6.404162      9.329873  18.97867 9.028599  20.92813 9.631080  -1.949457      13.20126  
1 1 1 34 24 10 o 125.0822 3.273007  158.0932       5.789477  159.7324       11.57895  156.4541       11.57895  125.7374 4.604420  124.4269 4.652914  1.310455       6.546013  
1 1 1 34 24 11 o 188.1548 2.562786  356.6223       6.813953  372.8805       13.62791  340.3641       13.62791  192.4753 3.540171  183.8344 3.706571  8.640854       5.125571  
1 1 1 34 24 12 o 72.45348 5.905604  55.33121       5.937192  67.13888       11.87438  43.52353       11.87438  80.60193 7.366068  64.30502 9.232860  16.29691       11.81121  
1 1 1 34 24 13 o 68.86020 6.899370  50.59479       6.718653  50.97599       13.43731  50.21359       13.43731  69.13699 9.717884  68.58340 9.796325  0.5535889      13.79874  
1 1 1 34 24 14 o 120.1591 4.214783  148.8062       7.161798  150.5931       14.32360  147.0194       14.32360  120.9027 5.923606  119.4156 5.997373  1.487083       8.429566  
1 1 1 34 24 15 o 79.10857 6.079269  67.73450       6.737713  77.63142       13.47543  57.83760       13.47543  85.36383 7.892936  72.85329 9.248330  12.51054       12.15854  
1 1 1 34 24 16 o 56.83500 14.32360  45.28658       16.28678  45.28658       16.28678  ?              ?         56.83500 14.32360  ?        ?         ?              ?         
1 1 1 34 25 0  o 44.81714 13.19221  25.05438       10.26381  25.05438       10.26381  25.05438       10.26381  44.81714 13.19221  44.81714 13.19221  0.000000       0.000000  
1 1 1 34 25 1  o 120.9867 2.221492  147.3863       3.778647  165.7363       7.557293  129.0363       7.557293  128.5702 2.938976  113.4032 3.332046  15.16698       4.442985  
1 1 1 34 25 2  o 152.0624 2.118714  231.8888       4.555342  226.5091       9.110683  237.2685       9.110683  150.2935 3.030965  153.8313 2.961259  -3.537811      4.237428  
1 1 1 34 25 3  o 51.57231 4.994472  27.00327       3.640462  25.93114       7.280923  28.07539       7.280923  50.53287 7.204145  52.61174 6.919485  -2.078873      9.988943  
1 1 1 34 25 4  o 122.4397 2.587896  150.5931       4.479102  145.4279       8.958203  155.7584       8.958203  120.3304 3.722335  124.5490 3.596255  -4.218613      5.175792  
1 1 1 34 25 5  o 20.93817 6.658579  -4.226556      4.188437  -7.671653      8.376874  -0.7814603     8.376874  19.03052 8.898044  22.84583 9.908154  -3.815306      13.31716  
1 1 1 34 25 6  o 208.2389 2.078995  435.1781       6.118262  453.8569       12.23652  416.4993       12.23652  212.7238 2.876153  203.7539 3.002771  8.969910       4.157991  
1 1 1 34 25 7  o 77.74194 4.201802  61.34463       4.607757  56.34138       9.215513  66.34789       9.215513  74.52408 6.182910  80.95979 5.691414  -6.435715      8.403605  
1 1 1 34 25 8  o 40.60881 7.756190  17.70198       4.826947  9.806375       9.653894  25.59759       9.653894  32.51379 11.65645  48.70383 10.23529  -16.19003      15.51238  
1 1 1 34 25 9  o 83.70135 4.130161  71.34638       4.879362  66.28118       9.758724  76.41157       9.758724  80.67560 6.048126  86.72711 5.626109  -6.051514      8.260323  
1 1 1 34 25 10 o 77.60515 5.140614  61.80684       5.641763  61.44946       11.28353  62.16421       11.28353  77.37489 7.291464  77.83540 7.248325  -0.4605026     10.28123  
1 1 1 34 25 11 o 77.22282 5.473969  61.67341       5.961017  66.88157       11.92203  56.46527       11.92203  80.59497 7.396265  73.85066 8.071718  6.744308       10.94794  
1 1 1 34 25 12 o 123.7510 3.948377  156.5065       6.894957  144.8084       13.78991  168.2046       13.78991  119.0245 5.792890  128.4774 5.366669  -9.452927      7.896753  
1 1 1 34 25 13 o 106.8427 4.708004  118.6628       7.061733  102.7048       14.12347  134.6208       14.12347  99.37469 7.106168  114.3107 6.177668  -14.93597      9.416008  
1 1 1 34 25 14 o 27.03312 8.390012  -1.210310      6.332687  5.022312       12.66537  -7.442933      12.66537  30.08795 12.57853  23.97828 11.10630  6.109678       16.78002  
1 1 1 34 25 15 o 127.2455 4.178655  168.0235       7.509643  158.4077       15.01929  177.6393       15.01929  123.4670 6.082308  131.0239 5.731507  -7.556862      8.357310  
1 1 1 34 26 0  o 99.05442 5.917459  99.67432       11.63613  99.67432       11.63613  99.67432       11.63613  99.05442 5.917459  99.05442 5.917459  0.000000       0.000000  
1 1 1 34 26 1  o 82.67563 3.192898  68.80186       3.730997  71.49409       7.461993  66.10963       7.461993  84.30381 4.425656  81.04744 4.603473  3.256371       6.385796  
1 1 1 34 26 2  o 51.80629 6.047252  30.77715       4.016897  10.76890       8.033793  50.78539       8.033793  32.70646 10.68568  70.90611 5.665092  -38.19965      12.09450  
1 1 1 34 26 3  o 146.3040 2.293321  216.6360       4.683997  256.3667       9.367994  176.9055       9.367994  159.8820 2.929658  132.7259 3.529077  27.15619       4.586641  
1 1 1 34 26 4  o 51.09937 5.985651  27.19386       4.217027  24.82566       8.434053  29.56207       8.434053  48.40617 9.047404  53.79258 7.839421  -5.386406      11.97130  
1 1 1 34 26 5  o 150.3224 2.429696  227.2048       5.155732  211.3660       10.31146  243.0437       10.31146  145.0541 3.554351  155.5907 3.313650  -10.53661      4.859392  
1 1 1 34 26 6  o 34.68747 8.145559  11.98398       4.745942  8.672303       9.491883  15.29566       9.491883  31.44543 11.52987  37.92951 11.50924  -6.484077      16.29112  
1 1 1 34 26 7  o 54.24661 6.359269  31.22982       4.669702  38.44404       9.339403  24.01561       9.339403  61.30151 7.617597  47.19172 10.18496  14.10978       12.71854  
1 1 1 34 26 8  o 65.89590 5.373910  44.89109       4.965132  51.46202       9.930264  38.32014       9.930264  70.88174 7.004811  60.91005 8.151581  9.971695       10.74782  
1 1 1 34 26 9  o 43.23062 8.379577  20.58004       5.374923  25.62618       10.74985  15.53391       10.74985  48.24873 11.32251  38.21252 12.35597  10.03621       16.75915  
1 1 1 34 26 10 o 45.28879 8.496155  22.84342       5.532167  21.96666       11.06433  23.72018       11.06433  44.41897 12.12036  46.15861 11.90947  -1.739639      16.99231  
1 1 1 34 26 11 o 129.4338 3.545824  170.1439       6.489933  167.5279       12.97987  172.7599       12.97987  128.4233 5.053549  130.4444 4.975249  -2.021103      7.091647  
1 1 1 34 26 12 o 122.9302 3.841501  154.2812       6.671002  146.0473       13.34200  162.5152       13.34200  119.5812 5.578639  126.2793 5.282739  -6.698051      7.683003  
1 1 1 34 26 13 o 40.79063 9.304110  18.14989       6.632883  7.624003       13.26577  28.67578       13.26577  32.34010 13.11759  49.24115 13.19828  -16.90106      18.60822  
1 1 1 34 26 14 o 34.13080 9.681360  10.49730       7.114148  10.86420       14.22830  10.13039       14.22830  34.36427 13.73035  33.89732 13.65256  0.4669495      19.36272  
1 1 1 34 26 15 f 32.38926 13.65052  8.329224       15.11459  8.329224       15.11459  ?              ?         32.38926 13.65052  ?        ?         ?              ?         
1 1 1 34 27 0  f 85.94195 7.079150  75.98272       12.00780  75.98272       12.00780  75.98272       12.00780  85.94195 7.079150  85.94195 7.079150  0.000000       0.000000  
1 1 1 34 27 1  o 67.18292 4.682980  47.94545       4.131257  67.92986       8.262513  27.96103       8.262513  82.05606 5.034676  52.30979 7.897674  29.74627       9.365960  
1 1 1 34 27 2  o 84.05746 3.547471  71.64657       4.183672  81.92944       8.367344  61.36370       8.367344  90.17403 4.639553  77.94089 5.367750  12.23315       7.094942  
1 1 1 34 27 3  o 183.1235 2.143907  336.4711       5.551227  329.2235       11.10245  343.7186       11.10245  181.1446 3.064528  185.1024 2.999004  -3.957748      4.287815  
1 1 1 34 27 4  o 129.3309 2.733045  168.1951       4.998487  170.2916       9.996975  166.0984       9.996975  130.1415 3.840810  128.5204 3.889256  1.621109       5.466089  
1 1 1 34 27 5  o 54.72049 5.957779  30.75809       4.607757  31.95410       9.215513  29.56207       9.215513  55.81333 8.255656  53.62765 8.592129  2.185680       11.91556  
1 1 1 34 27 6  o 93.57892 3.766995  88.61475       4.979427  83.72108       9.958854  93.50840       9.958854  90.96420 5.474051  96.19364 5.176462  -5.229439      7.533989  
1 1 1 34 27 7  o 47.76826 7.518892  24.90667       5.155732  34.47003       10.31146  15.34331       10.31146  57.61491 8.948607  37.92160 12.08542  19.69331       15.03778  
1 1 1 34 27 8  o 27.09349 8.112031  0.9387053      5.484517  -3.116311      10.96903  4.993722       10.96903  24.63947 10.97194  29.54752 11.95143  -4.908051      16.22406  
1 1 1 34 27 9  o 124.8403 3.339505  157.7311       5.889543  149.3542       11.77909  166.1080       11.77909  121.4853 4.847946  128.1954 4.594192  -6.710083      6.679011  
1 1 1 34 27 10 o 101.4429 4.063565  104.8777       5.822832  110.6338       11.64566  99.12156       11.64566  104.2800 5.583842  98.60579 5.905163  5.674248       8.127130  
1 1 1 34 27 11 o 30.72028 8.842075  3.130606       6.499463  -6.737713      12.99893  12.99893       12.99893  25.02376 11.45373  36.41681 13.47372  -11.39305      17.68415  
1 1 1 34 27 12 o 103.3192 4.925281  110.8721       7.195153  108.4038       14.39031  113.3403       14.39031  102.1247 7.045456  104.5137 6.884411  -2.388977      9.850561  
1 1 1 34 27 13 o 36.11171 9.557739  12.83215       6.790127  19.02189       13.58025  6.642413       13.58025  40.48133 13.89115  31.74210 13.13155  8.739225       19.11548  
1 1 1 34 27 14 o 126.3582 4.512177  166.4272       8.062383  163.8875       16.12477  168.9670       16.12477  125.3532 6.431731  127.3632 6.330229  -2.009972      9.024354  
1 1 1 34 28 0  o 68.39365 8.509216  47.80250       11.80767  47.80250       11.80767  47.80250       11.80767  68.39365 8.509216  68.39365 8.509216  0.000000       0.000000  
1 1 1 34 28 1  o 115.4676 2.755422  134.1824       4.493397  126.1677       8.986794  142.1972       8.986794  111.9971 4.012066  118.9382 3.777926  -6.941101      5.510844  
1 1 1 34 28 2  o 85.78581 3.636676  74.67235       4.379037  64.27035       8.758074  85.07435       8.758074  79.72304 5.492813  91.84859 4.767669  -12.12555      7.273353  
1 1 1 34 28 3  o 80.71645 4.075125  66.71480       4.569637  80.90021       9.139274  52.52938       9.139274  89.50363 5.105532  71.92926 6.352960  17.57437       8.150249  
1 1 1 34 28 4  o 118.1142 2.844716  140.3817       4.750707  136.9652       9.501413  143.7982       9.501413  116.6679 4.071991  119.5605 3.973476  -2.892555      5.689431  
1 1 1 34 28 5  o 65.88737 5.215070  45.35329       4.683997  58.91449       9.367994  31.79209       9.367994  76.17857 6.148707  55.59617 8.425035  20.58239       10.43014  
1 1 1 34 28 6  o 160.0409 2.578744  258.1535       5.822832  278.4191       11.64566  237.8880       11.64566  166.3723 3.499882  153.7095 3.788206  12.66273       5.157487  
1 1 1 34 28 7  o 55.58434 7.150777  33.60756       5.389217  23.73924       10.77843  43.47588       10.77843  46.32550 11.63869  64.84316 8.311157  -18.51766      14.30155  
1 1 1 34 28 8  o 30.03039 8.319929  5.212912       5.403512  -1.067360      10.80702  11.49319       10.80702  25.54182 11.16595  34.51896 12.33719  -8.977139      16.63986  
1 1 1 34 28 9  o 68.19830 5.930140  48.28376       5.713237  45.78214       11.42647  50.78539       11.42647  66.36421 8.608913  70.03238 8.157994  -3.668167      11.86028  
1 1 1 34 28 10 o 53.92532 7.193756  33.71716       6.084907  2.296731       12.16981  65.13757       12.16981  28.62938 12.16570  79.22127 7.680902  -50.59189      14.38751  
1 1 1 34 28 12 o 65.21624 7.940052  47.85015       7.047437  57.26580       14.09487  38.43451       14.09487  72.94056 9.661891  57.49192 12.60260  15.44864       15.88010  
1 1 1 34 28 13 o 37.21712 9.152314  12.51766       6.899723  -2.887591      13.79945  27.92291       13.79945  26.79908 12.10481  47.63515 13.73073  -20.83607      18.30463  
1 1 1 34 28 14 o 48.21981 14.30289  30.00998       14.77151  30.00998       14.77151  ?              ?         48.21981 14.30289  ?        ?         ?              ?         
1 1 1 34 29 0  o 19.61742 12.85514  -0.2573101     12.10310  -0.2573101     12.10310  -0.2573101     12.10310  19.61742 12.85514  19.61742 12.85514  0.000000       0.000000  
1 1 1 34 29 1  o 103.2454 3.208328  107.4317       4.683997  105.6020       9.367994  109.2615       9.367994  102.3593 4.576034  104.1316 4.498153  -1.772240      6.416656  
1 1 1 34 29 2  o 43.05430 7.179856  20.02730       4.317091  17.23978       8.634183  22.81483       8.634183  39.96206 10.61921  46.14654 9.666107  -6.184479      14.35971  
1 1 1 34 29 3  o 60.97089 5.265086  37.99613       4.536282  39.70200       9.072563  36.29025       9.072563  62.36981 7.273202  59.57197 7.614793  2.797840       10.53017  
1 1 1 34 29 4  o 138.1878 2.658381  192.3774       5.184323  206.6486       10.36865  178.1062       10.36865  143.3515 3.616511  133.0241 3.897281  10.32739       5.316762  
1 1 1 34 29 5  o 195.4094 2.460553  384.1259       6.799657  381.7624       13.59931  386.4893       13.59931  194.8047 3.490500  196.0142 3.468962  -1.209488      4.921107  
1 1 1 34 29 6  o 122.7898 3.173748  152.3181       5.508343  146.6668       11.01669  157.9693       11.01669  120.4886 4.571671  125.0910 4.403468  -4.602417      6.347496  
1 1 1 34 29 7  o 36.90030 7.697816  11.02145       5.494047  -6.032492      10.98809  28.07539       10.98809  23.24548 10.59924  50.55513 11.16609  -27.30964      15.39563  
1 1 1 34 29 8  o 60.97615 6.837995  39.65911       5.713237  45.09598       11.42647  34.22224       11.42647  65.86092 8.674700  56.09138 10.57271  9.769543       13.67599  
1 1 1 34 29 9  o 90.30049 4.981955  84.04034       6.356512  80.07109       12.71302  88.00958       12.71302  88.10269 7.214890  92.49829 6.872033  -4.395599      9.963909  
1 1 1 34 29 10 o 80.27213 6.006638  68.07282       6.713887  81.16705       13.42777  54.97859       13.42777  88.42828 7.592467  72.11598 9.309847  16.31229       12.01328  
1 1 1 34 29 11 o 60.51033 7.981609  41.65565       6.561408  28.76155       13.12282  54.54974       13.12282  49.49029 13.06454  71.53038 9.172896  -22.04009      15.96322  
1 1 1 34 29 12 o 78.36058 6.680332  67.37237       7.161798  49.15576       14.32360  85.58897       14.32360  66.73701 10.73137  89.98416 7.958954  -23.24715      13.36066  
1 1 1 34 29 13 o 36.80456 14.29719  14.20924       15.09553  14.20924       15.09553  ?              ?         36.80456 14.29719  ?        ?         ?              ?         
1 1 1 34 29 14 o 30.46964 13.37925  7.376224       15.65780  7.376224       15.65780  ?              ?         30.46964 13.37925  ?        ?         ?              ?         
1 1 1 34 30 0  o 46.93853 15.09532  28.70437       12.46525  28.70437       12.46525  28.70437       12.46525  46.93853 15.09532  46.93853 15.09532  0.000000       0.000000  
1 1 1 34 30 1  o 38.19897 7.314601  14.65715       4.717352  2.353911       9.434704  26.96038       9.434704  26.23439 10.90474  50.16354 9.751935  -23.92915      14.62920  
1 1 1 34 30 2  o 60.31943 5.518616  37.51963       4.674467  32.52590       9.348933  42.51335       9.348933  56.18003 8.320514  64.45882 7.251865  -8.278797      11.03723  
1 1 1 34 30 3  o 186.6122 2.295830  350.0942       6.056317  361.8638       12.11263  338.3247       12.11263  189.7657 3.191472  183.4587 3.301188  6.306961       4.591659  
1 1 1 34 30 4  o 63.86008 6.036610  44.13345       5.003252  60.00090       10.00650  28.26599       10.00650  76.64335 6.527967  51.07682 10.15619  25.56652       12.07322  
1 1 1 34 30 5  o 113.7372 3.553935  130.9994       5.713237  136.0122       11.42647  125.9866       11.42647  115.9408 4.927718  111.5335 5.122441  4.407341       7.107870  
1 1 1 34 30 6  o 96.30753 4.157552  94.36134       5.660822  97.01543       11.32164  91.70722       11.32164  97.68546 5.794950  94.92959 5.963180  2.755867       8.315104  
1 1 1 34 30 7  o 86.99088 4.823653  77.61235       5.922898  83.01586       11.84580  72.20884       11.84580  90.09666 6.573936  83.88509 7.060729  6.211578       9.647306  
1 1 1 34 30 8  o 34.47425 9.048840  10.33052       6.070612  15.98182       12.14122  4.679232       12.14122  38.74211 13.13631  30.20639 12.44842  8.535719       18.09768  
1 1 1 34 30 9  o 78.76665 6.062955  65.41394       6.685298  55.19778       13.37060  75.63010       13.37060  72.28157 9.248966  85.25173 7.841833  -12.97016      12.12591  
1 1 1 34 30 10 o 43.24789 7.230508  15.43861       6.404162  44.76243       12.80832  -13.88521      12.80832  64.47407 9.932927  22.02171 10.50990  42.45236       14.46102  
1 1 1 34 30 11 o 59.88892 8.920149  41.89390       7.319043  44.71478       14.63809  39.07301       14.63809  62.24101 12.19396  57.53683 13.02242  4.704178       17.84030  
1 1 1 34 30 12 o 42.65157 14.40516  22.30021       14.59997  22.30021       14.59997  ?              ?         42.65157 14.40516  ?        ?         ?              ?         
1 1 1 34 30 13 o 62.74999 9.121487  50.58527       8.534119  81.86274       17.06824  19.30779       17.06824  85.56538 9.973799  39.93460 15.27512  45.63078       18.24297  
1 1 1 34 31 0  o 73.93712 9.488664  56.68446       14.08535  56.68446       14.08535  56.68446       14.08535  73.93712 9.488664  73.93712 9.488664  0.000000       0.000000  
1 1 1 34 31 1  o 113.8990 3.290410  132.9102       5.189087  163.6969       10.37817  102.1235       10.37817  127.4139 4.072622  100.3841 5.169230  27.02979       6.580820  
1 1 1 34 31 2  o 144.3679 2.648533  210.1033       5.398747  196.4610       10.79749  223.7454       10.79749  139.6431 3.866105  149.0927 3.621068  -9.449631      5.297065  
1 1 1 34 31 3  o 74.19228 5.027814  56.50339       5.260562  51.73839       10.52112  61.26839       10.52112  70.98103 7.411223  77.40353 6.796282  -6.422508      10.05563  
1 1 1 34 31 4  o 20.06887 6.721337  -11.16916      5.079492  -13.56120      10.15898  -8.777133      10.15898  19.17368 9.200458  20.96406 9.800872  -1.790384      13.44267  
1 1 1 34 31 5  o 38.49799 8.931943  15.74833       5.613173  15.51485       11.22635  15.98182       11.22635  38.28196 12.63167  38.71402 12.63168  -0.4320641     17.86389  
1 1 1 34 31 6  o 46.42262 8.561419  24.03467       5.922898  14.95257       11.84580  33.11676       11.84580  37.92471 12.97549  54.92054 11.17266  -16.99583      17.12284  
1 1 1 34 31 7  o 117.9605 3.844497  144.1651       6.223093  104.7919       12.44619  183.5383       12.44619  101.2714 6.144966  134.6497 4.621691  -33.37830      7.688994  
1 1 1 34 31 8  o 67.77798 7.203309  51.27618       6.342218  32.12564       12.68444  70.42673       12.68444  53.22989 12.17384  82.32607 7.703778  -29.09618      14.40662  
1 1 1 34 31 9  o 56.83290 8.314779  37.43386       6.709123  19.17437       13.41825  55.69334       13.41825  41.24780 13.80986  72.41800 9.264441  -31.17020      16.62956  
1 1 1 34 31 10 o 29.02707 8.840607  -0.1000653     6.871132  -8.491233      13.74226  8.291104       13.74226  24.89127 11.54437  33.16288 13.39227  -8.271618      17.68121  
1 1 1 34 31 11 o 117.2158 4.879343  143.4980       8.076677  134.9544       16.15335  152.0417       16.15335  113.5714 7.111541  120.8603 6.682659  -7.288826      9.758685  
1 1 1 34 31 12 o 71.13541 8.043185  57.95195       7.886078  53.08212       15.77216  62.82178       15.77216  67.21111 12.18141  75.05972 10.50641  -7.848602      16.08637  
1 1 1 34 31 13 o 68.78392 8.321911  60.50123       7.909904  57.19909       15.81981  63.80338       15.81981  65.86036 12.46348  71.70749 11.03079  -5.847130      16.64382  
1 1 1 34 32 0  f 49.90321 16.63219  33.29784       14.74292  33.29784       14.74292  33.29784       14.74292  49.90321 16.63219  49.90321 16.63219  0.000000       0.000000  
1 1 1 34 32 1  o 65.30130 5.402803  43.98096       4.965132  48.85080       9.930264  39.11113       9.930264  69.03004 7.192712  61.57256 8.063871  7.457481       10.80561  
1 1 1 34 32 2  o 68.93660 6.475340  54.55451       5.332037  85.62708       10.66407  23.48193       10.66407  91.77874 5.809665  46.09446 11.57445  45.68428       12.95068  
1 1 1 34 32 3  o 88.43091 4.263888  79.62794       5.332037  80.71914       10.66407  78.53676       10.66407  89.04787 5.987832  87.81394 6.071971  1.233932       8.527777  
1 1 1 34 32 4  f 91.66939 4.195412  85.63185       5.432102  80.76678       10.86420  90.49691       10.86420  89.01579 6.102403  94.32299 5.759044  -5.307198      8.390823  
1 1 1 34 32 5  o 59.43033 7.227583  38.36780       5.808537  28.73296       11.61707  48.00263       11.61707  50.88602 11.65899  67.97464 8.545154  -17.08862      14.45517  
1 1 1 34 32 6  o 78.71338 5.271309  64.17981       5.837128  71.51315       11.67426  56.84647       11.67426  83.37163 7.001336  74.05512 7.882139  9.316505       10.54262  
1 1 1 34 32 7  o 137.6814 3.475739  192.6014       6.766303  196.9566       13.53261  188.2462       13.53261  139.2630 4.858650  136.0998 4.971575  3.163239       6.951477  
1 1 1 34 32 8  o 94.37152 5.331512  93.39880       7.004553  75.18221       14.00911  111.6154       14.00911  84.71999 8.267888  104.0231 6.733654  -19.30307      10.66302  
1 1 1 34 32 9  o 73.87544 6.868987  58.59047       7.176094  57.99008       14.35219  59.19085       14.35219  73.46909 9.767499  74.28180 9.660635  -0.8127060     13.73797  
1 1 1 34 32 10 o 21.32802 7.337748  -21.10896      7.099854  -22.28115      14.19971  -19.93677      14.19971  21.03131 10.26651  21.62473 10.48661  -0.5934258     14.67550  
1 1 1 34 32 11 o 49.82958 14.55761  31.47760       15.41002  31.47760       15.41002  ?              ?         49.82958 14.55761  ?        ?         ?              ?         
1 1 1 34 32 12 o 31.82185 13.91487  5.308212       16.79187  5.308212       16.79187  ?              ?         31.82185 13.91487  ?        ?         ?              ?         
1 1 1 34 33 0  o 34.89505 17.70811  19.47933       15.27660  19.47933       15.27660  19.47933       15.27660  34.89505 17.70811  34.89505 17.70811  0.000000       0.000000  
1 1 1 34 33 1  o 45.72019 6.511476  20.76111       5.460692  49.23199       10.92138  -7.709774      10.92138  69.05541 7.907696  22.38497 10.34725  46.67044       13.02295  
1 1 1 34 33 2  o 50.00148 7.510704  27.37017       5.150967  29.59066       10.30193  25.14968       10.30193  52.20929 10.23075  47.79367 10.99884  4.415615       15.02141  
1 1 1 34 33 3  o 121.7726 3.458668  150.1690       5.956253  149.9927       11.91251  150.3453       11.91251  121.7002 4.894202  121.8450 4.888386  -0.1447906     6.917336  
1 1 1 34 33 4  o 65.32583 6.213930  44.72907       5.689413  38.12955       11.37883  51.32860       11.37883  60.27459 9.439156  70.37707 8.084185  -10.10248      12.42786  
1 1 1 34 33 5  o 41.36955 9.265515  18.56445       6.366043  26.19798       12.73209  10.93091       12.73209  47.88890 12.97271  34.85021 13.23283  13.03869       18.53103  
1 1 1 34 33 6  o 37.10199 9.122041  11.95539       6.609057  24.59694       13.21811  -0.6861603     13.21811  46.19590 13.47828  28.00808 12.29563  18.18782       18.24408  
1 1 1 34 33 7  o 46.58168 8.549875  23.67730       6.766303  3.792941       13.53261  43.56165       13.53261  30.58565 12.90465  62.57771 11.21925  -31.99206      17.09975  
1 1 1 34 33 8  o 41.24186 9.864957  19.12672       6.975962  24.35869       13.95192  13.89474       13.95192  45.39026 13.99031  37.09347 13.91189  8.296791       19.72991  
1 1 1 34 33 9  o 123.6572 4.361581  158.3934       7.604944  171.9594       15.20989  144.8275       15.20989  129.1425 5.888800  118.1719 6.435494  10.97063       8.723162  
1 1 1 34 33 10 o 24.56296 11.54609  -10.86420      14.67621  -10.86420      14.67621  ?              ?         24.56296 11.54609  ?        ?         ?              ?         
1 1 1 34 33 11 o 67.22981 9.218574  54.77370       8.519823  67.11028       17.03965  42.43710       17.03965  76.88095 11.08184  57.57867 14.73503  19.30228       18.43715  
1 1 1 34 34 0  o 135.2220 9.318506  187.5981       24.95908  187.5981       24.95908  187.5981       24.95908  135.2220 9.318506  135.2220 9.318506  0.000000       0.000000  
1 1 1 34 34 1  o 60.35090 15.74927  44.94350       16.39161  44.94350       16.39161  44.94350       16.39161  60.35090 15.74927  60.35090 15.74927  0.000000       0.000000  
1 1 1 34 34 2  o 126.0755 6.961021  162.6009       17.43991  162.6009       17.43991  162.6009       17.43991  126.0755 6.961021  126.0755 6.961021  0.000000       0.000000  
1 1 1 34 34 3  f 27.39274 16.31849  10.18757       15.38142  10.18757       15.38142  10.18757       15.38142  27.39274 16.31849  27.39274 16.31849  0.000000       0.000000  
1 1 1 34 34 4  o 68.17110 14.65515  54.91188       17.52568  54.91188       17.52568  54.91188       17.52568  68.17110 14.65515  68.17110 14.65515  0.000000       0.000000  
1 1 1 34 34 5  o 212.6080 5.564413  457.5450       23.62488  457.5450       23.62488  457.5450       23.62488  212.6080 5.564413  212.6080 5.564413  0.000000       0.000000  
1 1 1 34 34 6  o 36.48905 19.36023  22.53846       18.81223  22.53846       18.81223  22.53846       18.81223  36.48905 19.36023  36.48905 19.36023  0.000000       0.000000  
1 1 1 34 34 7  o 146.3013 7.818244  220.9246       22.73859  220.9246       22.73859  220.9246       22.73859  146.3013 7.818244  146.3013 7.818244  0.000000       0.000000  
1 1 1 34 34 8  o 60.03656 19.84909  51.08081       21.10896  51.08081       21.10896  51.08081       21.10896  60.03656 19.84909  60.03656 19.84909  0.000000       0.000000  
1 1 1 35 0  1  o 306.6820 3.789285  941.6121       23.23415  941.6121       23.23415  941.6121       23.23415  306.6820 3.789285  306.6820 3.789285  0.000000       0.000000  
1 1 1 35 0  2  o 314.5743 3.756256  990.6821       23.62488  990.6821       23.62488  990.6821       23.62488  314.5743 3.756256  314.5743 3.756256  0.000000       0.000000  
1 1 1 35 0  3  o 231.4469 3.132703  536.2343       14.49514  536.2343       14.49514  536.2343       14.49514  231.4469 3.132703  231.4469 3.132703  0.000000       0.000000  
1 1 1 35 0  4  o 77.16763 4.200402  60.12480       6.442283  60.12480       6.442283  60.12480       6.442283  77.16763 4.200402  77.16763 4.200402  0.000000       0.000000  
1 1 1 35 0  5  o 139.4214 4.346350  195.1268       12.09357  195.1268       12.09357  195.1268       12.09357  139.4214 4.346350  139.4214 4.346350  0.000000       0.000000  
1 1 1 35 0  6  o 101.3075 4.978396  103.5244       10.03509  103.5244       10.03509  103.5244       10.03509  101.3075 4.978396  101.3075 4.978396  0.000000       0.000000  
1 1 1 35 0  7  o 383.1908 5.612153  1472.186       42.98985  1472.186       42.98985  1472.186       42.98985  383.1908 5.612153  383.1908 5.612153  0.000000       0.000000  
1 1 1 35 0  8  o 183.0455 4.005353  335.9422       14.64762  335.9422       14.64762  335.9422       14.64762  183.0455 4.005353  183.0455 4.005353  0.000000       0.000000  
1 1 1 35 0  9  o 157.5207 5.029747  249.4288       15.81028  249.4288       15.81028  249.4288       15.81028  157.5207 5.029747  157.5207 5.029747  0.000000       0.000000  
1 1 1 35 0  10 o 177.0416 5.020412  315.0238       17.74487  315.0238       17.74487  315.0238       17.74487  177.0416 5.020412  177.0416 5.020412  0.000000       0.000000  
1 1 1 35 0  11 o 114.0060 8.904947  133.6964       20.06066  133.6964       20.06066  133.6964       20.06066  114.0060 8.904947  114.0060 8.904947  0.000000       0.000000  
1 1 1 35 0  12 o 124.1151 7.575521  157.1116       18.65975  157.1116       18.65975  157.1116       18.65975  124.1151 7.575521  124.1151 7.575521  0.000000       0.000000  
1 1 1 35 0  13 o 117.6471 7.490554  141.4920       17.47803  141.4920       17.47803  141.4920       17.47803  117.6471 7.490554  117.6471 7.490554  0.000000       0.000000  
1 1 1 35 0  14 o 196.2523 7.394265  391.3115       28.93309  391.3115       28.93309  391.3115       28.93309  196.2523 7.394265  196.2523 7.394265  0.000000       0.000000  
1 1 1 35 0  15 o 54.43032 23.27986  46.20145       25.70242  46.20145       25.70242  46.20145       25.70242  54.43032 23.27986  54.43032 23.27986  0.000000       0.000000  
1 1 1 35 0  16 o 82.50076 10.91565  71.71327       17.89735  71.71327       17.89735  71.71327       17.89735  82.50076 10.91565  82.50076 10.91565  0.000000       0.000000  
1 1 1 35 0  17 o 54.28553 14.66322  36.91924       13.73274  36.91924       13.73274  36.91924       13.73274  54.28553 14.66322  54.28553 14.66322  0.000000       0.000000  
1 1 1 35 0  18 o 113.0037 8.586369  134.0395       19.18390  134.0395       19.18390  134.0395       19.18390  113.0037 8.586369  113.0037 8.586369  0.000000       0.000000  
1 1 1 35 1  0  o 10.32053 7.281506  -5.527402      5.555993  -5.527402      5.555993  -5.527402      5.555993  10.32053 7.281506  10.32053 7.281506  0.000000       0.000000  
1 1 1 35 1  1  o 64.69702 2.370250  42.03208       2.158546  46.70655       4.317091  37.35761       4.317091  68.30961 3.159945  61.08444 3.533708  7.225170       4.740501  
1 1 1 35 1  2  f 112.1019 1.525505  125.9819       2.411091  114.6364       4.822182  137.3273       4.822182  107.0415 2.252481  117.1622 2.057908  -10.12068      3.051009  
1 1 1 35 1  3  o 189.7583 1.476996  360.4772       3.959717  378.9987       7.919433  341.9556       7.919433  194.6386 2.034394  184.8780 2.141800  9.760605       2.953991  
1 1 1 35 1  4  o 105.1376 1.787025  110.8197       2.649341  101.0752       5.298682  120.5641       5.298682  100.5035 2.636068  109.7718 2.413499  -9.268257      3.574049  
1 1 1 35 1  5  o 150.1676 2.073709  225.7277       4.402863  220.0287       8.805723  231.4266       8.805723  148.2701 2.969488  152.0651 2.895379  -3.795059      4.147418  
1 1 1 35 1  6  f 84.41847 2.957134  71.72758       3.507041  62.24999       7.014082  81.20516       7.014082  78.80502 4.450277  90.03193 3.895331  -11.22691      5.914268  
1 1 1 35 1  7  f 108.3761 2.614420  118.6724       3.954952  96.74860       7.909904  140.5962       7.909904  98.26142 4.024928  118.4908 3.337772  -20.22935      5.228840  
1 1 1 35 1  8  o 161.8674 2.066159  263.8620       4.688762  223.9646       9.377523  303.7593       9.377523  149.5433 3.135386  174.1915 2.691728  -24.64816      4.132318  
1 1 1 35 1  9  o 62.65963 4.433053  39.66864       3.907302  34.97511       7.814603  44.36216       7.814603  58.91437 6.632171  66.40488 5.884058  -7.490513      8.866106  
1 1 1 35 1  10 o 230.1908 2.275432  531.1595       7.404812  547.3843       14.80962  514.9347       14.80962  233.7150 3.168309  226.6665 3.266831  7.048447       4.550864  
1 1 1 35 1  11 o 39.67350 7.807863  16.71086       4.598227  13.28483       9.196454  20.13690       9.196454  35.98104 11.40787  43.36596 10.66356  -7.384914      15.61573  
1 1 1 35 1  12 o 66.19762 5.609151  44.80531       5.227207  49.64180       10.45441  39.96883       10.45441  69.85068 7.483402  62.54456 8.357573  7.306118       11.21830  
1 1 1 35 1  13 o 74.12309 6.550841  57.59458       6.680532  72.45661       13.36106  42.73254       13.36106  84.14833 7.938996  64.09784 10.42240  20.05049       13.10168  
1 1 1 35 1  14 o 79.44638 5.610921  64.84216       6.304098  64.74685       12.60820  64.93745       12.60820  79.38641 7.941030  79.50636 7.929049  -0.1199493     11.22184  
1 1 1 35 1  15 o 64.31483 8.429998  44.98162       7.490582  40.44534       14.98116  49.51790       14.98116  60.23794 12.81807  68.39172 10.95247  -8.153774      16.86000  
1 1 1 35 1  16 o 38.51105 9.926469  7.924198       8.462644  29.40006       16.92529  -13.55167      16.92529  50.27050 15.39182  26.75160 12.53918  23.51890       19.85294  
1 1 1 35 1  17 o 38.58305 6.400228  15.06694       4.345681  30.91533       8.691362  -0.7814603     8.691362  54.34303 7.996760  22.82307 9.995173  31.51996       12.80046  
1 1 1 35 1  18 o 55.85378 8.914667  36.76199       6.885427  33.36454       13.77085  40.15944       13.77085  52.88936 13.07567  58.81819 12.12073  -5.928829      17.82933  
1 1 1 35 1  19 o 57.56414 7.757611  41.26015       7.056968  77.09774       14.11394  5.422573       14.11394  84.44321 8.357059  30.68506 13.07217  53.75814       15.51522  
1 1 1 35 2  0  o 282.9449 3.832844  801.5781       21.68076  801.5781       21.68076  801.5781       21.68076  282.9449 3.832844  282.9449 3.832844  0.000000       0.000000  
1 1 1 35 2  1  o 240.7381 1.688463  581.2731       5.727532  638.4149       11.45506  524.1312       11.45506  252.6061 2.267377  228.8700 2.502526  23.73611       3.376927  
1 1 1 35 2  2  o 56.79995 2.611618  32.41631       2.087071  36.19495       4.174142  28.63766       4.174142  60.12623 3.471149  53.47367 3.902988  6.652557       5.223236  
1 1 1 35 2  3  o 77.15804 2.082691  59.66259       2.268141  55.35979       4.536282  63.96539       4.536282  74.36974 3.049817  79.94634 2.837079  -5.576607      4.165381  
1 1 1 35 2  4  o 223.0744 1.829656  498.0285       5.770417  484.1337       11.54083  511.9232       11.54083  219.9600 2.623394  226.1888 2.551152  -6.228760      3.659313  
1 1 1 35 2  5  o 435.7319 2.915818  1903.399       17.94500  1792.937       35.89000  2013.861       35.89000  423.0564 4.241751  448.4074 4.001941  -25.35101      5.831636  
1 1 1 35 2  6  o 280.8770 2.203361  791.2094       8.729484  725.5573       17.45897  856.8618       17.45897  269.1899 3.242871  292.5639 2.983787  -23.37399      4.406722  
1 1 1 35 2  7  o 82.65689 3.288123  68.65415       3.831062  62.26904       7.662123  75.03925       7.662123  78.79448 4.862094  86.51931 4.427984  -7.724831      6.576245  
1 1 1 35 2  8  o 119.0673 2.644626  142.3306       4.440981  130.1989       8.881963  154.4623       8.881963  113.9729 3.896526  124.1618 3.576770  -10.18895      5.289253  
1 1 1 35 2  9  o 62.99331 4.631286  40.21661       4.088372  46.40159       8.176744  34.03164       8.176744  67.90253 6.020941  58.08408 7.038714  9.818459       9.262571  
1 1 1 35 2  10 o 96.31586 3.057306  93.27015       4.155082  86.10358       8.310163  100.4367       8.310163  92.59552 4.487346  100.0362 4.153578  -7.440689      6.114613  
1 1 1 35 2  11 o 126.3607 3.488505  161.4812       6.189737  139.4811       12.37947  183.4812       12.37947  117.6555 5.260900  135.0660 4.582751  -17.41049      6.977011  
1 1 1 35 2  12 o 110.1921 4.105387  122.7465       6.394632  118.4484       12.78926  127.0445       12.78926  108.2419 5.907725  112.1424 5.702245  -3.900490      8.210774  
1 1 1 35 2  13 o 119.9884 3.883029  145.7709       6.575703  156.3683       13.15141  135.1736       13.15141  124.4044 5.285749  115.5724 5.689683  8.831993       7.766057  
1 1 1 35 2  14 o 80.45290 7.235614  68.28248       8.105268  55.10249       16.21054  81.46247       16.21054  72.26176 11.21654  88.64402 9.143616  -16.38226      14.47123  
1 1 1 35 2  15 o 51.45025 9.959208  30.02427       7.557293  24.03467       15.11459  36.01388       15.11459  46.40405 14.61406  56.49645 13.53412  -10.09240      19.91842  
1 1 1 35 2  16 o 149.8997 4.669858  230.8262       9.868320  251.4778       19.73664  210.1747       19.73664  156.7881 6.294048  143.0112 6.900381  13.77689       9.339716  
1 1 1 35 2  17 o 68.89082 4.754419  49.14147       4.617287  53.52050       9.234573  44.76243       9.234573  72.06907 6.406753  65.71259 7.026488  6.356483       9.508839  
1 1 1 35 2  18 o 40.00259 8.877843  17.60192       6.161148  6.718653       12.32230  28.48518       12.32230  30.88683 12.60308  49.11834 12.50707  -18.23151      17.75569  
1 1 1 35 2  19 o 46.06303 14.55567  27.50359       14.98116  27.50359       14.98116  ?              ?         46.06303 14.55567  ?        ?         ?              ?         
1 1 1 35 3  0  o 293.5603 3.689162  862.7512       21.65217  862.7512       21.65217  862.7512       21.65217  293.5603 3.689162  293.5603 3.689162  0.000000       0.000000  
1 1 1 35 3  1  o 223.3723 1.587960  500.0631       5.003252  458.4789       10.00650  541.6473       10.00650  214.0641 2.337269  232.6806 2.150266  -18.61652      3.175920  
1 1 1 35 3  2  o 274.2222 1.792611  753.8185       6.933078  817.7505       13.86616  689.8865       13.86616  285.8792 2.425178  262.5652 2.640516  23.31393       3.585222  
1 1 1 35 3  3  o 168.5857 1.461611  285.1901       3.468921  316.4628       6.937842  253.9174       6.937842  177.8607 1.950359  159.3106 2.177458  18.55005       2.923221  
1 1 1 35 3  4  o 255.0286 1.877398  650.8231       6.771068  647.9830       13.54214  653.6630       13.54214  254.4718 2.660832  255.5854 2.649239  -1.113586      3.754796  
1 1 1 35 3  5  f 125.2163 2.255455  157.3499       3.978776  173.1792       7.957553  141.5206       7.957553  131.5371 3.024832  118.8955 3.346447  12.64159       4.510911  
1 1 1 35 3  6  o 86.45110 3.344868  76.64982       3.950187  53.97794       7.900373  99.32169       7.900373  73.33855 5.386235  99.56364 3.967499  -26.22509      6.689737  
1 1 1 35 3  7  o 146.7410 2.076085  215.5878       4.307562  210.8132       8.615124  220.3623       8.615124  145.1142 2.968396  148.3679 2.903298  -3.253723      4.152170  
1 1 1 35 3  8  o 338.6940 2.552362  1149.643       12.22223  1180.034       24.44446  1119.251       24.44446  343.1805 3.561458  334.2075 3.657079  8.973053       5.104724  
1 1 1 35 3  9  o 151.3294 2.273782  229.4635       4.865067  235.0862       9.730133  223.8408       9.730133  153.1871 3.175898  149.4716 3.254844  3.715530       4.547564  
1 1 1 35 3  10 o 67.04343 4.966417  45.92509       4.626817  36.20448       9.253633  55.64570       9.253633  59.79395 7.737935  74.29292 6.227803  -14.49897      9.932834  
1 1 1 35 3  11 o 84.01176 4.308418  74.20061       4.803122  45.22940       9.606244  103.1718       9.606244  66.76941 7.193597  101.2541 4.743631  -34.48471      8.616837  
1 1 1 35 3  12 f 64.40303 5.653639  42.41328       5.131907  38.47263       10.26381  46.35394       10.26381  61.34365 8.365831  67.46240 7.607063  -6.118748      11.30728  
1 1 1 35 3  13 o 178.4568 2.890233  320.5655       7.290452  308.6863       14.58090  332.4446       14.58090  175.1285 4.162915  181.7851 4.010478  -6.656586      5.780467  
1 1 1 35 3  14 o 118.3169 4.468413  142.5546       7.471523  136.4887       14.94305  148.6204       14.94305  115.7535 6.454686  120.8803 6.180929  -5.126785      8.936826  
1 1 1 35 3  15 o 105.1761 4.879064  113.7549       7.199918  97.68254       14.39984  129.8272       14.39984  97.53545 7.381848  112.8168 6.381956  -15.28136      9.758127  
1 1 1 35 3  16 o 33.64355 8.659745  10.62595       5.403512  13.55167       10.80702  7.700243       10.80702  36.11087 12.39184  31.17622 12.09988  4.934647       17.31949  
1 1 1 35 3  17 o 30.62479 7.007939  4.274207       4.688762  20.79447       9.377523  -12.24605      9.377523  42.91100 10.90136  18.33859 8.809381  24.57240       14.01588  
1 1 1 35 3  18 o 143.3955 3.232239  209.9364       6.532818  229.3586       13.06564  190.5143       13.06564  150.1678 4.350347  136.6233 4.781629  13.54446       6.464479  
1 1 1 35 3  19 o 137.7391 4.386610  198.7101       8.534119  187.7601       17.06824  209.6601       17.06824  133.7642 6.379971  141.7140 6.022071  -7.949783      8.773219  
1 1 1 35 4  0  o 104.9404 4.036024  110.7005       8.443583  110.7005       8.443583  110.7005       8.443583  104.9404 4.036024  104.9404 4.036024  0.000000       0.000000  
1 1 1 35 4  1  f 182.6104 1.498272  335.2656       3.840591  382.2294       7.681183  288.3017       7.681183  195.4694 1.964804  169.7514 2.262481  25.71806       2.996544  
1 1 1 35 4  2  o 91.89163 1.833336  84.49778       2.382501  84.44536       4.765002  84.55019       4.765002  91.86311 2.593534  91.92016 2.591924  -0.5704498E-01 3.666673  
1 1 1 35 4  3  o 139.0017 1.493273  193.5163       2.930476  206.5056       5.860952  180.5269       5.860952  143.6741 2.039669  134.3293 2.181561  9.344772       2.986547  
1 1 1 35 4  4  o 121.5175 1.858001  147.9200       3.187786  157.6739       6.375573  138.1660       6.375573  125.5309 2.539443  117.5041 2.712914  8.026794       3.716003  
1 1 1 35 4  5  o 220.9176 2.157863  489.6278       6.718653  536.2534       13.43731  443.0022       13.43731  231.4703 2.902598  210.3649 3.193808  21.10539       4.315725  
1 1 1 35 4  6  o 119.5739 2.157986  143.2502       3.645226  135.5262       7.290452  150.9743       7.290452  116.3440 3.133145  122.8037 2.968337  -6.459656      4.315972  
1 1 1 35 4  7  o 112.3878 2.313455  126.5537       3.673816  120.4688       7.347633  132.6386       7.347633  109.6807 3.349555  115.0949 3.191988  -5.414215      4.626911  
1 1 1 35 4  8  o 92.23653 3.054556  85.33643       3.983541  87.40919       7.967083  83.26364       7.967083  93.36015 4.266854  91.11291 4.372093  2.247246       6.109111  
1 1 1 35 4  9  o 62.41484 4.503611  39.34462       3.959717  35.36584       7.919433  43.32340       7.919433  59.22747 6.685608  65.60220 6.035951  -6.374733      9.007222  
1 1 1 35 4  10 o 171.0720 2.234530  293.8767       5.389217  320.5607       10.77843  267.1927       10.77843  178.8711 3.012906  163.2729 3.300741  15.59811       4.469060  
1 1 1 35 4  11 o 113.0447 3.335456  128.8409       5.317742  139.7766       10.63548  117.9052       10.63548  117.8816 4.511089  108.2078 4.914380  9.673767       6.670911  
1 1 1 35 4  12 o 33.50237 9.110407  6.628118       6.466108  -1.896471      12.93222  15.15271       12.93222  27.81708 12.18717  39.18766 13.54515  -11.37058      18.22081  
1 1 1 35 4  13 o 62.88907 6.516041  42.25127       5.432102  29.68596       10.86420  54.81658       10.86420  52.49468 10.71871  73.28346 7.412453  -20.78878      13.03208  
1 1 1 35 4  14 o 54.26521 7.764064  31.90169       5.841892  25.05438       11.68378  38.74900       11.68378  47.55626 12.22000  60.97415 9.580933  -13.41789      15.52813  
1 1 1 35 4  15 o 120.2766 4.217965  148.0486       7.109383  125.4816       14.21877  170.6157       14.21877  110.8953 6.410898  129.6579 5.483185  -18.76263      8.435930  
1 1 1 35 4  16 o 131.0022 3.238652  174.1465       5.980077  157.9503       11.96015  190.3428       11.96015  124.8205 4.790941  137.1839 4.359170  -12.36333      6.477304  
1 1 1 35 4  17 o 39.70475 7.264264  16.95388       4.817417  30.59131       9.634833  3.316442       9.634833  52.84832 9.457375  26.56117 11.02888  26.28716       14.52853  
1 1 1 35 4  18 o 78.85613 5.512272  66.49560       5.994372  82.58701       11.98874  50.40419       11.98874  89.05915 6.730776  68.65311 8.731393  20.40604       11.02454  
1 1 1 35 4  19 o 87.37514 6.367998  86.42283       7.390518  117.5240       14.78104  55.32167       14.78104  105.1726 7.027036  69.57764 10.62197  35.59499       12.73600  
1 1 1 35 5  0  o 377.4669 4.414576  1426.785       33.31689  1426.785       33.31689  1426.785       33.31689  377.4669 4.414576  377.4669 4.414576  0.000000       0.000000  
1 1 1 35 5  1  o 144.2505 1.585995  208.1877       3.235436  208.7928       6.470873  207.5826       6.470873  144.4603 2.239672  144.0408 2.246195  0.4195251      3.171990  
1 1 1 35 5  2  o 203.5943 1.511188  414.7362       4.350447  406.4451       8.700893  423.0273       8.700893  201.5581 2.158409  205.6304 2.115663  -4.072357      3.022376  
1 1 1 35 5  3  o 127.4787 1.477698  162.5914       2.663636  159.3798       5.327272  165.8030       5.327272  126.2191 2.110328  128.7384 2.069030  -2.519341      2.955396  
1 1 1 35 5  4  o 174.3457 1.519612  305.2079       3.726231  342.0128       7.452463  268.4030       7.452463  184.9008 2.015259  163.7906 2.274997  21.11028       3.039224  
1 1 1 35 5  5  o 259.1111 2.072306  672.7515       7.581119  628.0654       15.16224  717.4377       15.16224  250.4881 3.026538  267.7341 2.831585  -17.24599      4.144611  
1 1 1 35 5  6  o 86.39125 2.753687  74.78194       3.364091  73.74317       6.728183  75.82070       6.728183  85.79005 3.921307  86.99245 3.867107  -1.202408      5.507374  
1 1 1 35 5  7  o 154.8130 2.093706  239.9417       4.583931  239.8225       9.167863  240.0608       9.167863  154.7746 2.961683  154.8515 2.960211  -0.7695007E-01 4.187411  
1 1 1 35 5  8  o 118.7777 2.567529  141.3871       4.312327  143.9412       8.624654  138.8331       8.624654  119.8528 3.598019  117.7025 3.663751  2.150269       5.135057  
1 1 1 35 5  9  o 127.7989 2.385094  164.3544       4.283737  185.4729       8.567473  143.2359       8.567473  136.0613 3.148388  119.5365 3.583623  16.52478       4.770189  
1 1 1 35 5  10 o 104.5523 3.279482  109.9953       4.836477  100.9132       9.672954  119.0774       9.672954  100.2089 4.826393  108.8956 4.441389  -8.686653      6.558964  
1 1 1 35 5  11 o 130.8311 3.754467  172.8933       6.928313  187.2551       13.85663  158.5316       13.85663  136.3198 5.082398  125.3425 5.527506  10.97730       7.508934  
1 1 1 35 5  12 o 32.50800 7.678913  3.011482       5.565523  -16.26772      11.13105  22.29068       11.13105  19.71430 9.501248  45.30169 12.06603  -25.58738      15.35783  
1 1 1 35 5  13 o 168.2964 3.017404  285.9478       7.152268  315.5479       14.30454  256.3476       14.30454  177.0905 4.038765  159.5023 4.484115  17.58813       6.034808  
1 1 1 35 5  14 o 228.7196 2.873846  527.7288       9.282225  560.2594       18.56445  495.1981       18.56445  235.8311 3.935963  221.6081 4.188576  14.22293       5.747693  
1 1 1 35 5  15 o 72.20468 8.167573  57.30868       7.881313  41.38881       15.76263  73.22855       15.76263  60.67107 13.35119  83.73829 9.411839  -23.06721      16.33515  
1 1 1 35 5  16 o 78.13463 5.726006  63.56513       6.318392  67.28183       12.63678  59.84842       12.63678  80.51302 7.847666  75.75623 8.340426  4.756790       11.45201  
1 1 1 35 5  17 o 108.1386 3.377605  119.0488       5.165262  118.0291       10.33052  120.0685       10.33052  107.6672 4.797436  108.6101 4.755784  -0.9429703     6.755210  
1 1 1 35 5  18 o 24.08914 7.785037  -6.075377      6.032492  -11.72190      12.06498  -0.4288501     12.06498  21.70296 10.29730  26.47533 11.67874  -4.772367      15.57007  
1 1 1 35 5  19 o 42.59633 14.35334  23.92984       14.49514  23.92984       14.49514  ?              ?         42.59633 14.35334  ?        ?         ?              ?         
1 1 1 35 6  0  o 139.1048 2.838930  193.8212       7.890843  193.8212       7.890843  193.8212       7.890843  139.1048 2.838930  139.1048 2.838930  0.000000       0.000000  
1 1 1 35 6  1  o 145.7023 1.475989  212.4428       3.040071  219.5141       6.080142  205.3716       6.080142  148.1289 2.052315  143.2757 2.121833  4.853210       2.951978  
1 1 1 35 6  2  o 179.7758 1.512158  323.5579       3.840591  340.4594       7.681183  306.6565       7.681183  184.4765 2.081886  175.0751 2.193682  9.401413       3.024317  
1 1 1 35 6  3  o 138.5807 1.519653  192.7491       2.963831  214.5966       5.927662  170.9016       5.927662  146.4633 2.023599  130.6982 2.267692  15.76520       3.039306  
1 1 1 35 6  4  o 158.4805 1.624430  251.3015       3.640462  247.6086       7.280923  254.9943       7.280923  157.3154 2.314117  159.6456 2.280340  -2.330170      3.248859  
1 1 1 35 6  5  o 75.32381 2.891540  56.92748       3.073426  61.26839       6.146852  52.58656       6.146852  78.20531 3.929946  72.44230 4.242585  5.763008       5.783079  
1 1 1 35 6  6  o 81.58725 3.102911  66.92445       3.564222  59.65782       7.128443  74.19108       7.128443  77.13396 4.620821  86.04053 4.142491  -8.906570      6.205821  
1 1 1 35 6  7  o 103.1305 2.566192  106.6789       3.735762  114.1885       7.471523  99.16922       7.471523  106.7713 3.498843  99.48965 3.754925  7.281685       5.132384  
1 1 1 35 6  8  f 122.9909 2.315764  152.3991       3.993072  175.4188       7.986144  129.3793       7.986144  132.3492 3.017072  113.6326 3.514019  18.71660       4.631528  
1 1 1 35 6  9  o 199.8163 2.223356  400.1458       6.280273  387.0039       12.56055  413.2877       12.56055  196.5278 3.195615  203.1048 3.092134  -6.576965      4.446712  
1 1 1 35 6  10 o 189.9810 2.333962  361.7732       6.270743  361.7970       12.54149  361.7494       12.54149  189.9872 3.300613  189.9747 3.300830  0.1252747E-01  4.667925  
1 1 1 35 6  11 o 46.33159 7.940296  22.56705       5.722767  35.98529       11.44553  9.148804       11.44553  59.15562 9.674089  33.50757 12.59386  25.64805       15.88059  
1 1 1 35 6  12 f 54.49151 7.979974  32.98811       6.537583  56.92271       13.07517  9.053504       13.07517  74.45877 8.780138  34.52425 13.32776  39.93452       15.95995  
1 1 1 35 6  13 o 35.41153 8.002099  12.21270       4.846007  5.108082       9.692014  19.31732       9.692014  28.62503 11.36508  42.19804 11.26807  -13.57300      16.00420  
1 1 1 35 6  14 o 29.31213 8.906360  -4.002601      7.238038  9.672954       14.47608  -17.67816      14.47608  35.48707 13.95253  23.13720 11.07339  12.34987       17.81272  
1 1 1 35 6  15 o 68.78694 5.510868  48.77456       5.360627  48.18370       10.72125  49.36542       10.72125  68.35746 7.842052  69.21643 7.744732  -0.8589706     11.02174  
1 1 1 35 6  16 o 35.13971 9.160659  9.992208       6.485168  0.2954301      12.97034  19.68899       12.97034  28.32113 12.30655  41.95827 13.57274  -13.63714      18.32132  
1 1 1 35 6  17 o 77.73354 4.926068  64.17505       5.203382  44.50512       10.40676  83.84497       10.40676  65.08138 7.995192  90.38569 5.756865  -25.30431      9.852137  
1 1 1 35 6  18 o 48.54916 8.062434  27.43212       6.127792  43.91426       12.25558  10.94998       12.25558  63.49328 9.651090  33.60503 12.91773  29.88824       16.12487  
1 1 1 35 6  19 f 25.97549 11.74364  -1.095950      13.01799  -1.095950      13.01799  ?              ?         25.97549 11.74364  ?        ?         ?              ?         
1 1 1 35 7  0  o 225.9117 3.247611  510.9416       14.66668  510.9416       14.66668  510.9416       14.66668  225.9117 3.247611  225.9117 3.247611  0.000000       0.000000  
1 1 1 35 7  1  o 120.1706 1.603341  145.6375       2.692226  171.4924       5.384452  119.7826       5.384452  130.9282 2.056262  109.4130 2.460608  21.51517       3.206681  
1 1 1 35 7  2  o 200.7260 1.557245  404.4582       4.398098  451.3886       8.796194  357.5276       8.796194  212.4162 2.070509  189.0358 2.326595  23.38039       3.114490  
1 1 1 35 7  3  o 146.2963 1.463541  214.4394       3.021011  197.6618       6.042023  231.2169       6.042023  140.5622 2.149234  152.0304 1.987109  -11.46822      2.927082  
1 1 1 35 7  4  o 122.3406 1.721989  150.4406       2.959066  130.2656       5.918132  170.6157       5.918132  114.0952 2.593507  130.5861 2.265989  -16.49087      3.443978  
1 1 1 35 7  5  o 96.83926 2.321393  93.91819       3.178256  91.30697       6.356512  96.52941       6.356512  95.49104 3.328330  98.18748 3.236926  -2.696442      4.642787  
1 1 1 35 7  6  o 330.7765 2.294573  1095.779       10.73078  1066.074       21.46157  1125.484       21.46157  326.2863 3.288764  335.2667 3.200671  -8.980408      4.589147  
1 1 1 35 7  7  o 160.8002 1.990668  258.8635       4.526752  256.4905       9.053504  261.2365       9.053504  160.0623 2.828119  161.5380 2.802282  -1.475723      3.981337  
1 1 1 35 7  8  o 117.3985 2.537871  138.1422       4.212262  134.2206       8.424523  142.0638       8.424523  115.7283 3.639785  119.0687 3.537673  -3.340416      5.075743  
1 1 1 35 7  9  o 256.1497 2.714373  658.4185       9.825435  687.7994       19.65087  629.0374       19.65087  261.8848 3.751815  250.4146 3.923667  11.47026       5.428746  
1 1 1 35 7  10 o 94.81723 3.270834  90.42545       4.379037  84.60737       8.758074  96.24352       8.758074  91.74918 4.772835  97.88527 4.473642  -6.136086      6.541669  
1 1 1 35 7  11 o 37.11161 8.848762  12.72732       5.832363  5.184323       11.66473  20.27032       11.66473  30.75327 12.37181  43.46995 12.65467  -12.71669      17.69752  
1 1 1 35 7  12 o 115.7658 3.645074  136.5507       5.880013  109.9572       11.76003  163.1441       11.76003  104.2800 5.638680  127.2517 4.620772  -22.97178      7.290147  
1 1 1 35 7  13 o 49.26093 7.682946  26.16939       5.989607  46.75420       11.97921  5.584582       11.97921  67.38004 8.889291  31.14183 12.53360  36.23820       15.36589  
1 1 1 35 7  14 o 72.51675 5.314282  54.74988       5.336802  42.32275       10.67360  67.17700       10.67360  63.94830 8.345496  81.08520 6.581722  -17.13690      10.62856  
1 1 1 35 7  15 o 75.02158 5.272101  57.97577       5.579817  62.52635       11.15963  53.42520       11.15963  78.05443 7.148624  71.98874 7.750959  6.065689       10.54420  
1 1 1 35 7  16 o 113.9515 2.947824  131.3902       4.745942  124.8430       9.491883  137.9373       9.491883  111.0787 4.272593  116.8243 4.062462  -5.745537      5.895647  
1 1 1 35 7  17 o 36.41212 8.427789  14.36172       5.146202  19.10766       10.29240  9.615773       10.29240  40.88285 11.88231  31.94138 11.95497  8.941463       16.85558  
1 1 1 35 7  18 o 109.9302 4.093483  125.0908       6.346982  114.9033       12.69396  135.2784       12.69396  105.2965 6.027721  114.5639 5.540126  -9.267311      8.186967  
1 1 1 35 7  19 f 42.14758 13.95136  24.59694       13.69462  24.59694       13.69462  ?              ?         42.14758 13.95136  ?        ?         ?              ?         
1 1 1 35 8  0  o 391.0061 4.600620  1531.024       35.96623  1531.024       35.96623  1531.024       35.96623  391.0061 4.600620  391.0061 4.600620  0.000000       0.000000  
1 1 1 35 8  1  o 61.43742 2.645605  38.02472       2.277671  32.12564       4.555342  43.92379       4.555342  56.63654 4.021557  66.23830 3.438601  -9.601761      5.291210  
1 1 1 35 8  2  o 173.4014 1.500252  300.8289       3.678581  306.1609       7.357163  295.4968       7.357163  174.9388 2.102781  171.8639 2.140404  3.074951       3.000503  
1 1 1 35 8  3  o 147.2733 1.571967  217.0172       3.273556  212.7669       6.547113  221.2676       6.547113  145.8303 2.244772  148.7163 2.201209  -2.886063      3.143934  
1 1 1 35 8  4  o 307.9153 1.972224  949.0407       8.586533  970.6499       17.17307  927.4314       17.17307  311.4243 2.757182  304.4063 2.820748  7.017944       3.944448  
1 1 1 35 8  5  o 120.4077 2.047161  145.2087       3.483216  138.5758       6.966432  151.8416       6.966432  117.6534 2.960574  123.1621 2.828156  -5.508690      4.094321  
1 1 1 35 8  6  o 172.2610 2.038448  297.0788       4.965132  290.8938       9.930264  303.2638       9.930264  170.4657 2.912686  174.0562 2.852602  -3.590469      4.076896  
1 1 1 35 8  7  o 134.7055 1.957792  181.7753       3.726231  172.8171       7.452463  190.7335       7.452463  131.3804 2.836216  138.0306 2.699569  -6.650208      3.915584  
1 1 1 35 8  8  o 155.8402 2.493298  243.4011       5.494047  238.1453       10.98809  248.6568       10.98809  154.1539 3.564001  157.5265 3.487698  -3.372543      4.986596  
1 1 1 35 8  9  o 86.09859 3.572312  75.26797       4.283737  60.31540       8.567473  90.22055       8.567473  77.41519 5.533458  94.78200 4.519568  -17.36681      7.144624  
1 1 1 35 8  10 o 114.7393 3.030944  132.2383       4.917482  134.8114       9.834964  129.6652       9.834964  115.8605 4.244311  113.6180 4.328084  2.242561       6.061889  
1 1 1 35 8  11 o 168.4564 2.526178  284.8614       6.018198  284.8137       12.03640  284.9090       12.03640  168.4422 3.572856  168.4705 3.572256  -0.2828979E-01 5.052357  
1 1 1 35 8  12 o 100.4227 4.839492  102.5714       6.866368  97.45382       13.73274  107.6890       13.73274  97.87463 7.015473  102.9707 6.668274  -5.096069      9.678985  
1 1 1 35 8  13 o 86.55882 5.184603  76.62123       6.323157  84.06416       12.64631  69.17831       12.64631  90.85816 6.959373  82.25947 7.686844  8.598694       10.36921  
1 1 1 35 8  14 o 92.54166 3.658695  86.83739       4.784062  82.69185       9.568124  90.98295       9.568124  90.30182 5.297858  94.78149 5.047465  -4.479668      7.317390  
1 1 1 35 8  15 o 121.1765 3.761009  149.1160       6.437518  140.8249       12.87504  157.4071       12.87504  117.7554 5.466855  124.5976 5.166647  -6.842163      7.522017  
1 1 1 35 8  16 o 106.9863 3.273230  116.3804       4.931777  104.2964       9.863553  128.4644       9.863553  101.3388 4.866623  112.6337 4.378596  -11.29495      6.546459  
1 1 1 35 8  17 o 103.1826 3.955778  110.3431       5.660822  86.08453       11.32164  134.6018       11.32164  91.42742 6.191602  114.9378 4.925118  -23.51038      7.911556  
1 1 1 35 8  18 o 34.02384 8.974660  8.572239       6.642413  22.41457       13.28483  -5.270092      13.28483  42.79679 13.72560  25.25089 11.56659  17.54590       17.94932  
1 1 1 35 8  19 o 24.80785 11.52822  -3.411741      13.78991  -3.411741      13.78991  ?              ?         24.80785 11.52822  ?        ?         ?              ?         
1 1 1 35 9  0  o 115.3083 3.607086  133.4296       8.300633  133.4296       8.300633  133.4296       8.300633  115.3083 3.607086  115.3083 3.607086  0.000000       0.000000  
1 1 1 35 9  1  o 213.5712 1.716545  456.6682       5.179556  433.5008       10.35911  479.8357       10.35911  208.1473 2.488409  218.9950 2.365149  -10.84764      3.433090  
1 1 1 35 9  2  f 64.02731 2.711801  41.17438       2.444446  45.66778       4.888892  36.68098       4.888892  67.53629 3.619456  60.51834 4.039182  7.017944       5.423602  
1 1 1 35 9  3  o 239.3672 1.736269  573.4680       5.875248  554.9321       11.75050  592.0038       11.75050  235.4953 2.494847  243.2390 2.415422  -7.743698      3.472538  
1 1 1 35 9  4  o 339.6644 2.108940  1154.927       10.13039  1150.138       20.26079  1159.716       20.26079  338.9595 2.988674  340.3694 2.976295  -1.409882      4.217879  
1 1 1 35 9  5  o 50.86802 3.695409  25.99309       2.654106  24.29198       5.308212  27.69419       5.308212  49.19594 5.394970  52.54010 5.051582  -3.344154      7.390817  
1 1 1 35 9  6  o 65.30550 3.555602  43.20427       3.235436  51.68121       6.470873  34.72733       6.470873  71.79572 4.506448  58.81528 5.501014  12.98044       7.111204  
1 1 1 35 9  7  o 138.8093 2.073948  193.0016       4.069312  186.0733       8.138623  199.9299       8.138623  136.3137 2.985255  141.3050 2.879808  -4.991241      4.147896  
1 1 1 35 9  8  o 246.6659 2.018104  609.4390       7.037908  626.2357       14.07582  592.6423       14.07582  250.0706 2.814368  243.2612 2.893148  6.809433       4.036208  
1 1 1 35 9  9  o 102.9567 3.168101  106.4549       4.612522  105.0111       9.225043  107.8987       9.225043  102.2555 4.510779  103.6579 4.449756  -1.402328      6.336202  
1 1 1 35 9  10 o 94.01184 3.481612  89.92035       4.550577  71.08430       9.101154  108.7564       9.101154  83.99393 5.417745  104.0298 4.374303  -20.03582      6.963224  
1 1 1 35 9  11 o 103.1127 3.387995  107.1077       4.936542  112.0157       9.873084  102.1998       9.873084  105.4926 4.679516  100.7328 4.900631  4.759789       6.775991  
1 1 1 35 9  12 o 112.2182 2.833297  126.7014       4.493397  121.3360       8.986794  132.0668       8.986794  109.8276 4.091319  114.6088 3.920638  -4.781219      5.666594  
1 1 1 35 9  13 o 91.15205 3.730688  84.31670       4.779297  73.60975       9.558595  95.02367       9.558595  85.27892 5.604312  97.02518 4.925832  -11.74626      7.461376  
1 1 1 35 9  14 o 73.45905 5.113811  55.65046       5.265327  47.32600       10.53065  63.97491       10.53065  67.79299 7.766773  79.12509 6.654434  -11.33210      10.22762  
1 1 1 35 9  15 o 78.64402 5.381655  63.74144       5.984842  62.72649       11.96968  64.75638       11.96968  77.99874 7.672998  79.28930 7.548110  -1.290558      10.76331  
1 1 1 35 9  16 o 106.7973 3.539293  116.0612       5.336802  108.5277       10.67360  123.5946       10.67360  103.2703 5.167800  110.3243 4.837378  -7.053993      7.078586  
1 1 1 35 9  17 o 49.45763 7.956597  27.99439       5.889543  13.56120       11.77909  42.42758       11.77909  35.92924 12.87621  62.98603 9.350554  -27.05678      15.91319  
1 1 1 35 9  18 o 20.39471 7.000167  -17.90211      6.323157  -21.34721      12.64631  -14.45702      12.64631  19.46053 9.545158  21.32890 10.24204  -1.868368      14.00033  
1 1 1 35 10 0  o 140.8498 3.547028  198.8817       9.977913  198.8817       9.977913  198.8817       9.977913  140.8498 3.547028  140.8498 3.547028  0.000000       0.000000  
1 1 1 35 10 1  o 242.8347 1.742741  590.0359       5.984842  593.5953       11.96968  586.4764       11.96968  243.5677 2.457158  242.1018 2.472035  1.465820       3.485482  
1 1 1 35 10 2  o 88.07101 2.180907  78.00785       2.696991  67.30089       5.393982  88.71481       5.393982  81.99243 3.289317  94.14960 2.864580  -12.15717      4.361815  
1 1 1 35 10 3  o 103.8517 1.866513  108.5992       2.716051  91.65958       5.432102  125.5387       5.432102  95.69604 2.838206  112.0074 2.424886  -16.31133      3.733027  
1 1 1 35 10 4  o 383.3714 2.320183  1472.062       12.57484  1517.329       25.14968  1426.794       25.14968  389.2752 3.230321  377.4675 3.331370  11.80774       4.640367  
1 1 1 35 10 5  o 142.7281 1.796869  204.0850       3.621402  191.0766       7.242803  217.0935       7.242803  138.1710 2.620956  147.2852 2.458769  -9.114166      3.593738  
1 1 1 35 10 6  o 212.2249 1.883406  450.9121       5.651292  462.4816       11.30258  439.3427       11.30258  214.9506 2.629112  209.4991 2.697525  5.451477       3.766812  
1 1 1 35 10 7  o 56.71627 3.970385  32.53067       3.154431  37.65305       6.308862  27.40829       6.308862  61.23206 5.151601  52.20048 6.042916  9.031578       7.940770  
1 1 1 35 10 8  o 212.5686 2.000149  454.4144       5.975312  396.0860       11.95062  512.7428       11.95062  198.8487 3.004954  226.2885 2.640573  -27.43977      4.000297  
1 1 1 35 10 9  o 55.36562 4.488264  31.89216       3.345031  20.80400       6.690063  42.98032       6.690063  45.35204 7.375701  65.37920 5.116354  -20.02716      8.976527  
1 1 1 35 10 10 o 194.5719 1.979352  379.4228       5.446397  376.6353       10.89279  382.2103       10.89279  193.8556 2.809512  195.2883 2.788902  -1.432648      3.958704  
1 1 1 35 10 11 o 61.97852 4.201931  39.05872       3.649991  45.01020       7.299983  33.10723       7.299983  66.77977 5.465715  57.17727 6.383641  9.602501       8.403863  
1 1 1 35 10 12 o 90.24268 3.182053  82.05334       4.059782  79.73754       8.119563  84.36913       8.119563  88.95959 4.563624  91.52576 4.435671  -2.566177      6.364106  
1 1 1 35 10 13 o 79.29392 4.290633  64.00826       4.788827  71.05570       9.577654  56.96083       9.577654  83.73779 5.718836  74.85005 6.397894  8.887741       8.581266  
1 1 1 35 10 14 f 26.12050 7.305346  -0.4574406     4.712587  11.27399       9.425174  -12.18888      9.425174  33.60131 11.56845  18.63970 8.924307  14.96161       14.61069  
1 1 1 35 10 15 o 54.26688 6.848381  31.88263       5.046137  23.67253       10.09227  40.09273       10.09227  46.30110 11.03872  62.23265 8.108503  -15.93155      13.69676  
1 1 1 35 10 16 o 124.0353 3.279759  156.0586       5.751357  151.6795       11.50271  160.4376       11.50271  122.2701 4.703815  125.8005 4.571806  -3.530472      6.559519  
1 1 1 35 10 17 o 43.51771 7.058025  18.95994       5.708472  -4.774532      11.41694  42.69442       11.41694  23.82878 10.84877  63.20665 9.031444  -39.37787      14.11605  
1 1 1 35 10 18 o 68.15882 7.124724  52.26254       6.551878  41.10291       13.10376  63.42217       13.10376  59.53606 11.41194  76.78158 8.533137  -17.24552      14.24945  
1 1 1 35 11 0  o 275.2822 3.653750  758.7217       20.10831  758.7217       20.10831  758.7217       20.10831  275.2822 3.653750  275.2822 3.653750  0.000000       0.000000  
1 1 1 35 11 1  o 98.12317 2.101547  96.37217       2.916181  95.57641       5.832363  97.16791       5.832363  97.71768 2.984292  98.52866 2.959729  -0.8109741     4.203094  
1 1 1 35 11 2  o 205.4275 1.658472  422.5842       4.812652  445.8994       9.625304  399.2691       9.625304  211.1023 2.279773  199.7527 2.409305  11.34956       3.316944  
1 1 1 35 11 3  o 101.7386 1.875890  103.6483       2.696991  98.99769       5.393982  108.2990       5.393982  99.45306 2.711823  104.0242 2.592657  -4.571167      3.751780  
1 1 1 35 11 4  o 255.3716 1.842469  652.8482       6.651943  633.7833       13.30389  671.9129       13.30389  251.6389 2.643448  259.1043 2.567283  -7.465485      3.684937  
1 1 1 35 11 5  o 45.88402 4.404836  21.19949       2.849471  19.28873       5.698943  23.11026       5.698943  43.80185 6.505367  47.96619 5.940582  -4.164337      8.809671  
1 1 1 35 11 6  f 29.65041 6.352156  8.948673       2.897121  8.157682       5.794242  9.739664       5.794242  28.58852 9.054171  30.71230 8.911877  -2.123777      12.70431  
1 1 1 35 11 7  o 184.2809 1.973633  340.1259       5.141437  351.3236       10.28287  328.9281       10.28287  187.3191 2.744748  181.2426 2.836770  6.076462       3.947266  
1 1 1 35 11 8  o 81.87650 3.095479  67.31042       3.583282  69.14017       7.166563  65.48065       7.166563  82.99390 4.317524  80.75911 4.436999  2.234787       6.190959  
1 1 1 35 11 9  o 175.3492 2.061161  308.3576       5.103317  288.5209       10.20663  328.1943       10.20663  169.6928 3.007386  181.0055 2.819427  -11.31268      4.122322  
1 1 1 35 11 10 o 154.9788 2.230763  240.9137       4.888892  237.6306       9.777783  244.1968       9.777783  153.9196 3.176263  156.0380 3.133141  -2.118393      4.461527  
1 1 1 35 11 11 o 59.09783 4.924613  36.10919       4.002602  45.62013       8.005203  26.59824       8.005203  67.14462 5.961166  51.05105 7.840391  16.09356       9.849225  
1 1 1 35 11 12 o 72.85506 4.368430  54.22095       4.450512  45.02927       8.901024  63.41265       8.901024  66.54686 6.687787  79.16327 5.621941  -12.61641      8.736859  
1 1 1 35 11 13 o 46.56334 6.966349  23.52481       4.569637  32.43060       9.139274  14.61903       9.139274  56.13422 8.140554  36.99246 11.30714  19.14177       13.93270  
1 1 1 35 11 14 o 24.52013 7.645218  -2.191901      5.203382  0.3240202      10.40676  -4.707822      10.40676  25.89978 11.13507  23.14047 10.47892  2.759315       15.29044  
1 1 1 35 11 15 o 35.34261 8.566389  12.27941       5.360627  6.699593       10.72125  17.85923       10.72125  30.42578 11.99320  40.25945 12.23500  -9.833675      17.13278  
1 1 1 35 11 16 o 95.71281 4.243616  93.86577       5.741827  96.83437       11.48365  90.89718       11.48365  97.26360 5.903368  94.16203 6.097816  3.101570       8.487232  
1 1 1 35 11 17 o 35.28310 9.395567  12.59390       6.380337  12.33182       12.76067  12.85597       12.76067  35.08501 13.26943  35.48119 13.30522  -0.3961792     18.79113  
1 1 1 35 11 18 o 56.46610 9.076359  38.41545       7.085558  38.90148       14.17112  37.92942       14.17112  56.87925 12.77121  56.05294 12.90029  0.8263092      18.15272  
1 1 1 35 12 0  o 30.75381 11.81521  12.95128       6.842543  12.95128       6.842543  12.95128       6.842543  30.75381 11.81521  30.75381 11.81521  0.000000       0.000000  
1 1 1 35 12 1  o 81.75880 2.486242  67.11028       2.863766  60.37257       5.727532  73.84800       5.727532  77.63831 3.688599  85.87928 3.334642  -8.240967      4.972484  
1 1 1 35 12 2  o 280.4608 1.873694  789.1511       7.404812  711.8913       14.80962  866.4108       14.80962  266.6871 2.776592  294.2346 2.516636  -27.54742      3.747388  
1 1 1 35 12 3  o 225.4881 1.649662  508.8022       5.260562  510.3317       10.52112  507.2725       10.52112  225.8273 2.329463  225.1489 2.336481  0.6783600      3.299324  
1 1 1 35 12 4  o 266.0978 1.825225  708.8275       6.866368  729.9888       13.73274  687.6660       13.73274  270.0740 2.542403  262.1215 2.619536  7.952484       3.650450  
1 1 1 35 12 5  o 61.82021 3.601401  38.84429       3.087722  30.13387       6.175443  47.55472       6.175443  54.77525 5.637074  68.86517 4.483720  -14.08992      7.202801  
1 1 1 35 12 6  o 56.26010 3.935829  32.42107       3.040071  41.30303       6.080142  23.53911       6.080142  64.15376 4.738726  48.36644 6.285497  15.78732       7.871658  
1 1 1 35 12 7  o 66.94422 3.291017  45.07215       3.106781  48.99375       6.213562  41.15055       6.213562  69.87322 4.446311  64.01522 4.853192  5.858002       6.582033  
1 1 1 35 12 8  o 56.99620 4.370199  32.75463       3.521337  33.75528       7.042673  31.75397       7.042673  57.87402 6.084486  56.11837 6.274837  1.755650       8.740397  
1 1 1 35 12 9  o 116.2447 2.554029  135.5595       4.197967  138.4614       8.395933  132.6577       8.395933  117.4929 3.572953  114.9965 3.650516  2.496361       5.108058  
1 1 1 35 12 10 o 23.96173 7.070012  1.281786       4.021661  3.116311       8.043323  -0.5527402     8.043323  25.33725 10.24007  22.58620 9.750961  2.751053       14.14002  
1 1 1 35 12 11 f 106.6211 3.130196  114.6507       4.707822  124.0330       9.415645  105.2684       9.415645  111.0209 4.240481  102.2213 4.605520  8.799652       6.260391  
1 1 1 35 12 12 o 36.79153 7.152794  12.82739       4.631582  25.95973       9.263164  -0.3049601     9.263164  49.29292 9.742735  24.29013 10.47516  25.00279       14.30559  
1 1 1 35 12 13 o 137.3808 2.668695  190.1522       5.179556  200.0443       10.35911  180.2600       10.35911  140.9811 3.673938  133.7806 3.871681  7.200516       5.337390  
1 1 1 35 12 14 o 63.22024 5.965468  41.38881       5.332037  40.29285       10.66407  42.48476       10.66407  62.35347 8.551309  64.08701 8.319998  -1.733540      11.93094  
1 1 1 35 12 15 o 53.34632 8.247119  31.83974       6.065848  27.31299       12.13170  36.36650       12.13170  49.17147 12.34412  57.52117 10.93995  -8.349701      16.49424  
1 1 1 35 12 16 o 76.45874 5.306624  61.40182       5.651292  49.63226       11.30258  73.17137       11.30258  68.76207 8.218619  84.15541 6.715305  -15.39334      10.61325  
1 1 1 35 12 17 o 58.46297 8.096353  39.42563       6.504228  27.72278       13.00846  51.12847       13.00846  48.13692 13.14536  68.78903 9.455326  -20.65211      16.19271  
1 1 1 35 12 18 o 57.89823 7.968838  40.65499       7.857488  -0.2096601     15.71498  81.51965       15.71498  29.32512 13.09348  86.47134 9.086812  -57.14622      15.93768  
1 1 1 35 13 0  o 182.4704 3.284886  333.5025       11.97921  333.5025       11.97921  333.5025       11.97921  182.4704 3.284886  182.4704 3.284886  0.000000       0.000000  
1 1 1 35 13 1  o 118.5391 1.943862  140.9059       3.249731  152.9375       6.499463  128.8742       6.499463  123.6140 2.628934  113.4641 2.864105  10.14993       3.887723  
1 1 1 35 13 2  o 94.44269 2.084115  89.31042       2.782761  86.79927       5.565523  91.82159       5.565523  93.11324 2.988578  95.77215 2.905606  -2.658913      4.168230  
1 1 1 35 13 3  o 95.87571 2.385404  92.12177       3.230671  97.17745       6.461343  87.06611       6.461343  98.51228 3.279461  93.23914 3.464931  5.273148       4.770808  
1 1 1 35 13 4  o 69.20427 2.950644  48.00263       2.887591  48.64114       5.775182  47.36412       5.775182  69.66560 4.144931  68.74295 4.200563  0.9226456      5.901287  
1 1 1 35 13 5  o 403.8355 2.541424  1634.029       14.51420  1641.610       29.02839  1626.448       29.02839  404.7741 3.585752  402.8969 3.602460  1.877258       5.082847  
1 1 1 35 13 6  o 169.3593 1.997011  287.3487       4.779297  274.2354       9.558595  300.4619       9.558595  165.4878 2.888005  173.2307 2.758920  -7.742874      3.994023  
1 1 1 35 13 7  o 29.31210 6.854697  8.105268       3.392681  5.108082       6.785362  11.10245       6.785362  25.85150 9.700634  32.77270 9.687371  -6.921204      13.70939  
1 1 1 35 13 8  o 108.5808 2.499472  118.4484       3.826297  107.7653       7.652593  129.1315       7.652593  103.6613 3.691151  113.5002 3.371180  -9.838882      4.998945  
1 1 1 35 13 9  o 169.2773 2.063105  287.8395       4.922247  260.6075       9.844495  315.0715       9.844495  161.2336 3.052866  177.3209 2.775898  -16.08722      4.126209  
1 1 1 35 13 10 o 199.0107 2.101167  397.5298       5.903837  423.8183       11.80767  371.2413       11.80767  205.6155 2.871300  192.4059 3.068428  13.20961       4.202334  
1 1 1 35 13 11 o 205.2560 2.262077  422.8224       6.566173  425.3432       13.13235  420.3018       13.13235  205.8700 3.189475  204.6420 3.208615  1.228088       4.524153  
1 1 1 35 13 12 o 81.73209 3.904954  67.67256       4.502927  72.98077       9.005854  62.36435       9.005854  84.97942 5.298844  78.48477 5.737326  6.494644       7.809907  
1 1 1 35 13 13 o 172.3024 2.475752  298.7180       6.032492  295.7256       12.06498  301.7104       12.06498  171.4340 3.518843  173.1707 3.483552  -1.736725      4.951504  
1 1 1 35 13 14 o 35.85916 8.702317  13.10852       5.341567  12.20794       10.68313  14.00911       10.68313  35.03256 12.29157  36.68577 12.32228  -1.653210      17.40463  
1 1 1 35 13 15 o 182.2455 2.725079  335.5371       7.014082  355.3548       14.02816  315.7195       14.02816  187.6825 3.737206  176.8084 3.967053  10.87416       5.450158  
1 1 1 35 13 16 o 29.47368 7.494578  -1.329435      5.460692  -22.52893      10.92138  19.87006       10.92138  17.37250 8.580141  41.57486 12.29048  -24.20236      14.98916  
1 1 1 35 13 17 o 28.45868 8.423056  1.243665       6.132557  11.11199       12.26511  -8.624654      12.26511  33.86268 12.94983  23.05468 10.77466  10.80800       16.84611  
1 1 1 35 13 18 o 44.90047 14.37748  26.13127       14.58090  26.13127       14.58090  ?              ?         44.90047 14.37748  ?        ?         ?              ?         
1 1 1 35 14 0  o 25.42267 12.80102  9.653894       7.948023  9.653894       7.948023  9.653894       7.948023  25.42267 12.80102  25.42267 12.80102  0.000000       0.000000  
1 1 1 35 14 1  o 115.4970 1.941293  133.5821       3.168726  127.9308       6.337452  139.2334       6.337452  113.0505 2.802929  117.9436 2.686647  -4.893021      3.882587  
1 1 1 35 14 2  o 76.05786 2.671195  58.71912       2.816116  72.08495       5.632232  45.35329       5.632232  84.84448 3.319151  67.27124 4.186211  17.57324       5.342389  
1 1 1 35 14 3  o 190.1378 1.806011  361.8638       4.855536  369.1733       9.711073  354.5543       9.711073  192.0600 2.528136  188.2157 2.579773  3.844330       3.612021  
1 1 1 35 14 4  o 246.3087 1.853009  607.4615       6.451812  586.7147       12.90362  628.2083       12.90362  242.0972 2.664968  250.5203 2.575366  -8.423111      3.706017  
1 1 1 35 14 5  o 285.6182 2.044443  816.8785       8.257749  824.5169       16.51550  809.2403       16.51550  286.9554 2.877712  284.2810 2.904783  2.674316       4.088887  
1 1 1 35 14 6  o 84.17364 2.890736  71.07000       3.440331  72.81876       6.880662  69.32125       6.880662  85.21242 4.037359  83.13486 4.138254  2.077560       5.781472  
1 1 1 35 14 7  o 115.3557 2.360045  133.3772       3.850122  133.4201       7.700243  133.3343       7.700243  115.3743 3.337070  115.3372 3.338145  0.3717041E-01  4.720090  
1 1 1 35 14 8  o 105.1160 2.580852  110.8292       3.835827  113.3975       7.671653  108.2608       7.671653  106.3377 3.607212  103.8944 3.692045  2.443336       5.161703  
1 1 1 35 14 9  o 93.46008 3.034597  88.35267       3.974012  102.0568       7.948023  74.64852       7.948023  100.7916 3.942799  86.12852 4.614048  14.66311       6.069193  
1 1 1 35 14 10 o 160.3283 2.089213  257.7866       4.736412  262.6564       9.472824  252.9168       9.472824  161.8470 2.926474  158.8096 2.982446  3.037415       4.178425  
1 1 1 35 14 11 o 93.76575 3.311243  88.71004       4.383801  82.94917       8.767603  94.47093       8.767603  90.69380 4.833629  96.83771 4.526958  -6.143906      6.622486  
1 1 1 35 14 12 o 77.19351 4.162457  60.46787       4.536282  64.49906       9.072563  56.43668       9.072563  79.80460 5.684236  74.58242 6.082240  5.222183       8.324913  
1 1 1 35 14 13 o 46.81676 7.774393  24.07755       5.065197  23.28180       10.13039  24.87331       10.13039  45.99651 11.11894  47.63701 10.86895  -1.640503      15.54879  
1 1 1 35 14 14 o 31.72872 8.140800  7.909904       5.084257  0.4002601      10.16851  15.41955       10.16851  25.61329 11.00921  37.84414 11.99533  -12.23085      16.28160  
1 1 1 35 14 15 o 24.94106 7.696421  -8.009968      5.856187  7.728833       11.71237  -23.74877      11.71237  31.73060 12.52650  18.15151 8.945741  13.57909       15.39284  
1 1 1 35 14 16 o 110.5269 3.892240  125.2242       6.070612  115.8944       12.14122  134.5541       12.14122  106.3063 5.710492  114.7476 5.290406  -8.441261      7.784479  
1 1 1 35 14 17 o 106.9969 4.497395  119.0726       6.804423  121.1931       13.60885  116.9522       13.60885  107.9878 6.301105  106.0060 6.418903  1.981766       8.994790  
1 1 1 35 14 18 o 66.15751 8.337700  53.52526       7.514408  42.95173       15.02882  64.09881       15.02882  57.66151 13.29475  74.65351 10.06571  -16.99200      16.67540  
1 1 1 35 15 0  o 280.5663 3.848389  788.3505       21.58546  788.3505       21.58546  788.3505       21.58546  280.5663 3.848389  280.5663 3.848389  0.000000       0.000000  
1 1 1 35 15 1  o 134.5562 1.951491  181.2797       3.711936  187.3789       7.423873  175.1805       7.423873  136.8226 2.712955  132.2898 2.805912  4.532822       3.902982  
1 1 1 35 15 2  o 223.8957 1.784830  501.7214       5.651292  505.6048       11.30258  497.8379       11.30258  224.7630 2.514334  223.0285 2.533888  1.734497       3.569659  
1 1 1 35 15 3  o 179.0803 1.719622  321.8997       4.336152  287.3487       8.672303  356.4507       8.672303  169.4335 2.559206  188.7271 2.297578  -19.29359      3.439244  
1 1 1 35 15 4  o 159.8812 1.806081  256.2809       4.074077  236.0487       8.148153  276.5131       8.148153  153.5540 2.653189  166.2085 2.451185  -12.65453      3.612162  
1 1 1 35 15 5  o 56.36658 4.190006  33.20253       3.144901  45.88697       6.289802  20.51810       6.289802  67.61831 4.650961  45.11484 6.970880  22.50347       8.380013  
1 1 1 35 15 6  o 76.49350 3.335772  60.32969       3.464156  79.59460       6.928313  41.06479       6.928313  89.08601 3.888552  63.90099 5.421131  25.18502       6.671544  
1 1 1 35 15 7  o 108.2146 2.282283  117.3620       3.492747  116.8283       6.985494  117.8957       6.985494  107.9680 3.234982  108.4612 3.220273  -0.4931641     4.564566  
1 1 1 35 15 8  o 141.0502 2.217088  199.4487       4.421922  203.2845       8.843843  195.6129       8.843843  142.4100 3.105065  139.6905 3.165514  2.719498       4.434175  
1 1 1 35 15 9  o 50.86733 5.318310  27.30346       3.588047  35.48973       7.176094  19.11719       7.176094  59.24545 6.056240  42.48921 8.744122  16.75624       10.63662  
1 1 1 35 15 10 o 38.52834 7.242495  15.86269       4.155082  10.37817       8.310163  21.34721       8.310163  32.37480 10.86792  44.68187 9.576180  -12.30706      14.48499  
1 1 1 35 15 11 o 202.5252 2.161873  411.9153       6.184973  434.3299       12.36995  389.5008       12.36995  208.0590 2.972702  196.9914 3.139717  11.06757       4.323746  
1 1 1 35 15 12 o 123.1726 2.799569  152.7898       4.874598  147.7246       9.749194  157.8550       9.749194  121.1165 4.024719  125.2287 3.892555  -4.112274      5.599138  
1 1 1 35 15 13 o 183.6573 2.348309  339.2824       6.094438  354.8021       12.18888  323.7628       12.18888  187.8825 3.243750  179.4322 3.396513  8.450302       4.696617  
1 1 1 35 15 14 o 46.26645 7.478843  23.24844       5.494047  6.127792       10.98809  40.36910       10.98809  30.28175 12.07646  62.25116 8.825614  -31.96941      14.95769  
1 1 1 35 15 15 o 25.38951 7.969782  -6.165913      6.127792  4.974662       12.25558  -17.30649      12.25558  30.31327 12.50213  20.46575 9.887690  9.847519       15.93956  
1 1 1 35 15 16 o 22.78964 7.521011  -9.182158      6.022963  -7.404812      12.04593  -10.95950      12.04593  23.47178 10.85622  22.10750 10.41177  1.364281       15.04202  
1 1 1 35 15 17 o 33.93124 8.977211  7.824133       6.756773  -7.347633      13.51355  22.99590       13.51355  24.64091 11.43580  43.22158 13.84138  -18.58067      17.95442  
1 1 1 35 15 18 f 26.24403 12.14107  -1.724931      15.07647  -1.724931      15.07647  ?              ?         26.24403 12.14107  ?        ?         ?              ?         
1 1 1 35 16 0  o 75.30997 6.081845  57.96148       9.043974  57.96148       9.043974  57.96148       9.043974  75.30997 6.081845  75.30997 6.081845  0.000000       0.000000  
1 1 1 35 16 1  f 118.0008 1.899507  139.5574       3.163961  129.7415       6.327922  149.3733       6.327922  113.8415 2.779268  122.1600 2.590014  -8.318512      3.799013  
1 1 1 35 16 2  o 49.04753 4.710870  25.39746       3.006716  34.56533       6.013433  16.22960       6.013433  58.67698 5.124184  39.41808 7.906450  19.25890       9.421741  
1 1 1 35 16 3  o 99.22879 2.220869  98.72131       3.111546  105.1731       6.223093  92.26950       6.223093  102.4798 3.036254  95.97781 3.241943  6.501953       4.441738  
1 1 1 35 16 4  o 272.3277 1.878475  742.5683       7.233273  758.7313       14.46655  726.4055       14.46655  275.2953 2.627460  269.3602 2.685354  5.935089       3.756949  
1 1 1 35 16 5  o 213.9912 1.912945  459.5177       5.770417  502.0597       11.54083  416.9758       11.54083  223.9313 2.576870  204.0510 2.827929  19.88025       3.825891  
1 1 1 35 16 6  f 203.3545 1.864005  414.1310       5.360627  413.6307       10.72125  414.6313       10.72125  203.2315 2.637696  203.4775 2.634506  -0.2460327     3.728010  
1 1 1 35 16 7  o 118.8485 2.453238  143.1740       4.055017  172.9600       8.110033  113.3880       8.110033  131.3796 3.086489  106.3174 3.814066  25.06217       4.906477  
1 1 1 35 16 8  o 102.8817 2.817821  106.3548       4.097902  110.1097       8.195804  102.6000       8.195804  104.7065 3.913702  101.0569 4.055045  3.649651       5.635642  
1 1 1 35 16 9  o 48.20179 6.282977  25.50706       4.074077  38.33920       8.148153  12.67490       8.148153  61.51527 6.622871  34.88831 10.67899  26.62696       12.56595  
1 1 1 35 16 10 o 79.72518 3.783674  64.53719       4.231322  55.15966       8.462644  73.91471       8.462644  73.84402 5.730081  85.60634 4.942767  -11.76231      7.567349  
1 1 1 35 16 11 o 108.4379 3.288408  120.6165       4.907952  152.1942       9.815904  89.03882       9.815904  122.9982 3.990265  93.87765 5.228031  29.12051       6.576817  
1 1 1 35 16 12 o 34.18340 8.125238  11.92680       4.645877  12.64631       9.291754  11.20728       9.291754  34.89884 11.49187  33.46796 11.48978  1.430878       16.25048  
1 1 1 35 16 13 o 129.9384 3.184211  171.3352       5.808537  147.7246       11.61707  194.9458       11.61707  120.8531 4.806281  139.0237 4.178092  -18.17060      6.368422  
1 1 1 35 16 14 o 64.55286 7.159190  47.75485       5.837128  22.71000       11.67426  72.79970       11.67426  44.93006 12.52714  84.17564 6.934461  -39.24558      14.31838  
1 1 1 35 16 15 o 60.07103 6.702270  39.32556       5.408277  29.50489       10.81655  49.14623       10.81655  51.47130 10.84692  68.67075 7.875663  -17.19945      13.40454  
1 1 1 35 16 16 o 119.5573 3.920300  146.8049       6.628118  145.2182       13.25624  148.3917       13.25624  118.8937 5.574828  120.2209 5.513284  -1.327179      7.840600  
1 1 1 35 16 17 o 28.81258 12.56562  1.925061       13.61837  1.925061       13.61837  ?              ?         28.81258 12.56562  ?        ?         ?              ?         
1 1 1 35 17 0  o 71.23791 6.252083  52.06241       8.777133  52.06241       8.777133  52.06241       8.777133  71.23791 6.252083  71.23791 6.252083  0.000000       0.000000  
1 1 1 35 17 1  o 91.62740 2.510659  84.18329       3.249731  79.62318       6.499463  88.74340       6.499463  89.13900 3.645690  94.11579 3.452907  -4.976791      5.021317  
1 1 1 35 17 2  o 77.01596 2.978487  59.52917       3.240201  62.87896       6.480402  56.17937       6.480402  79.19070 4.091644  74.84122 4.329434  4.349480       5.956975  
1 1 1 35 17 3  o 234.7988 1.808516  551.9826       6.003902  565.6153       12.00780  538.3499       12.00780  237.7019 2.525812  231.8958 2.589052  5.806137       3.617032  
1 1 1 35 17 4  o 120.9454 2.016422  146.7335       3.440331  158.6746       6.880662  134.7924       6.880662  125.8820 2.732982  116.0088 2.965577  9.873123       4.032845  
1 1 1 35 17 5  o 166.5116 1.945263  277.9426       4.574402  294.8202       9.148804  261.0649       9.148804  171.5796 2.666052  161.4436 2.833436  10.13602       3.890526  
1 1 1 35 17 6  o 76.82117 3.142736  59.45293       3.397446  66.23353       6.794893  52.67233       6.794893  81.23440 4.182276  72.40793 4.692092  8.826469       6.285472  
1 1 1 35 17 7  o 142.4369 2.231378  203.4179       4.493397  197.5570       8.986794  209.2789       8.986794  140.3795 3.200892  144.4943 3.109740  -4.114777      4.462757  
1 1 1 35 17 8  o 86.60139 3.148420  75.46333       3.854887  77.50751       7.709774  73.41915       7.709774  87.78162 4.391450  85.42117 4.512800  2.360451       6.296841  
1 1 1 35 17 9  o 121.7261 2.715313  149.4876       4.645877  168.3856       9.291754  130.5896       9.291754  129.4886 3.587865  113.9636 4.076632  15.52502       5.430626  
1 1 1 35 17 10 o 181.1315 2.113996  329.2378       5.413042  318.5880       10.82608  339.8876       10.82608  178.1917 3.037764  184.0713 2.940732  -5.879593      4.227992  
1 1 1 35 17 11 o 107.1562 3.374164  115.8467       5.112847  114.1504       10.22569  117.5431       10.22569  106.3647 4.806904  107.9477 4.736412  -1.583046      6.748328  
1 1 1 35 17 12 o 33.39503 7.855901  8.967734       5.055667  -2.201431      10.11133  20.13690       10.11133  24.07184 10.64552  42.71824 11.55567  -18.64640      15.71180  
1 1 1 35 17 13 o 217.3963 2.339344  475.3471       7.190388  487.5645       14.38078  463.1296       14.38078  220.2062 3.265298  214.5863 3.350814  5.619904       4.678688  
1 1 1 35 17 14 o 72.11171 6.082250  55.59328       5.961017  38.70134       11.92203  72.48521       11.92203  60.39938 9.869336  83.82405 7.111346  -23.42467      12.16450  
1 1 1 35 17 15 o 59.14451 7.054502  38.11049       5.765652  35.99483       11.53130  40.22615       11.53130  56.91228 10.52707  61.37674 9.393872  -4.464455      14.10900  
1 1 1 35 17 16 o 80.84655 5.809175  69.40702       6.628118  64.54671       13.25624  74.26732       13.25624  77.84067 8.514980  83.85243 7.904502  -6.011765      11.61835  
1 1 1 35 17 17 o 37.57095 14.07617  15.86746       14.27595  15.86746       14.27595  ?              ?         37.57095 14.07617  ?        ?         ?              ?         
1 1 1 35 18 0  o 14.77704 10.00052  -3.335501      8.395933  -3.335501      8.395933  -3.335501      8.395933  14.77704 10.00052  14.77704 10.00052  0.000000       0.000000  
1 1 1 35 18 1  o 93.10921 2.507506  87.03276       3.292616  94.49951       6.585233  79.56600       6.585233  97.11889 3.390294  89.09954 3.695436  8.019348       5.015012  
1 1 1 35 18 2  o 104.3825 2.382459  109.1757       3.516572  111.0627       7.033143  107.2888       7.033143  105.2864 3.340006  103.4787 3.398354  1.807724       4.764919  
1 1 1 35 18 3  o 84.80635 2.763304  72.49950       3.287851  82.97775       6.575703  62.02127       6.575703  90.98409 3.613655  78.62861 4.181495  12.35548       5.526608  
1 1 1 35 18 4  o 146.0995 1.952182  214.5299       4.012132  239.9369       8.024263  189.1229       8.024263  154.7946 2.591907  137.4044 2.919944  17.39020       3.904364  
1 1 1 35 18 5  o 142.1273 2.083928  202.6841       4.178907  186.7595       8.357814  218.6088       8.357814  136.5251 3.060908  147.7295 2.828755  -11.20447      4.167855  
1 1 1 35 18 6  o 86.35901 3.082596  75.02496       3.754822  68.75898       7.509643  81.29093       7.509643  82.73114 4.538583  89.98687 4.172633  -7.255730      6.165193  
1 1 1 35 18 7  o 120.7438 2.529616  146.4857       4.312327  136.7746       8.624654  156.1968       8.624654  116.7225 3.694514  124.7652 3.456355  -8.042709      5.059231  
1 1 1 35 18 8  o 114.5912 2.546995  131.8428       4.126492  128.3787       8.252983  135.3070       8.252983  113.0797 3.649189  116.1027 3.554173  -3.023071      5.093989  
1 1 1 35 18 9  o 86.13483 3.415303  74.80578       4.159847  73.56210       8.319694  76.04943       8.319694  85.41290 4.870279  86.85676 4.789319  -1.443855      6.830607  
1 1 1 35 18 10 o 75.07248 4.444770  57.90907       4.626817  70.81746       9.253633  45.00068       9.253633  83.66977 5.529855  66.47519 6.960216  17.19458       8.889540  
1 1 1 35 18 11 o 91.09630 3.715863  84.06893       4.779297  89.55345       9.558595  78.58440       9.558595  94.10659 5.078600  88.08601 5.425716  6.020576       7.431727  
1 1 1 35 18 12 f 117.7884 3.233939  140.3531       5.374923  129.6080       10.74985  151.0982       10.74985  113.2272 4.747023  122.3496 4.393086  -9.122360      6.467877  
1 1 1 35 18 13 o 52.94846 7.925028  30.81527       5.880013  39.41610       11.76003  22.21444       11.76003  61.31132 9.590420  44.58561 12.61935  16.72570       15.85006  
1 1 1 35 18 14 f 142.5130 3.147209  205.9624       6.332687  219.3426       12.66537  192.5823       12.66537  147.2073 4.301883  137.8186 4.594943  9.388718       6.294418  
1 1 1 35 18 15 o 69.78416 5.896183  51.63356       5.760887  43.67601       11.52177  59.59111       11.52177  64.08262 8.989781  75.48571 7.631759  -11.40309      11.79237  
1 1 1 35 18 17 o 42.11277 14.04328  22.70047       13.87568  22.70047       13.87568  ?              ?         42.11277 14.04328  ?        ?         ?              ?         
1 1 1 35 19 0  o 34.66669 13.46897  16.62986       8.853374  16.62986       8.853374  16.62986       8.853374  34.66669 13.46897  34.66669 13.46897  0.000000       0.000000  
1 1 1 35 19 1  o 202.2362 1.817691  409.4948       5.198617  406.9884       10.39723  412.0012       10.39723  201.6165 2.578468  202.8559 2.562714  -1.239349      3.635382  
1 1 1 35 19 2  o 144.3881 1.981106  210.2605       4.002602  175.1996       8.005203  245.3214       8.005203  132.2469 3.026613  156.5293 2.557095  -24.28238      3.962212  
1 1 1 35 19 3  o 148.4770 1.952230  221.1866       4.088372  239.7463       8.176744  202.6269       8.176744  154.7270 2.642313  142.2270 2.874541  12.50005       3.904459  
1 1 1 35 19 4  o 136.4927 2.135825  186.6928       4.121727  181.8325       8.243454  191.5531       8.243454  134.7122 3.059653  138.2731 2.980860  -3.560852      4.271651  
1 1 1 35 19 5  o 173.4553 2.089124  301.7104       5.117613  283.4604       10.23522  319.9603       10.23522  168.1946 3.042674  178.7160 2.863545  -10.52141      4.178247  
1 1 1 35 19 6  o 43.47708 6.090307  19.91771       3.611871  19.36497       7.223743  20.47045       7.223743  42.83055 8.735532  44.12362 8.488690  -1.293072      12.18061  
1 1 1 35 19 7  o 47.34506 5.270936  22.80530       3.526102  23.89172       7.052203  21.71888       7.052203  48.49240 7.271451  46.19772 7.632632  2.294685       10.54187  
1 1 1 35 19 8  o 36.79382 6.831673  13.98051       4.021661  23.47240       8.043323  4.488632       8.043323  47.12526 8.859729  26.46238 10.40155  20.66288       13.66335  
1 1 1 35 19 9  o 120.5871 2.705614  146.3046       4.607757  137.5370       9.215513  155.0722       9.215513  116.9517 3.939879  124.2225 3.709277  -7.270767      5.411228  
1 1 1 35 19 10 o 23.99120 7.077065  -4.007367      4.650642  8.043323       9.301284  -16.05806      9.301284  30.73391 11.39214  17.24849 8.399911  13.48542       14.15413  
1 1 1 35 19 11 o 74.05103 4.532487  56.02213       4.736412  60.17245       9.472824  51.87181       9.472824  76.85336 6.162921  71.24869 6.647719  5.604668       9.064975  
1 1 1 35 19 12 o 88.59538 4.464686  80.11874       5.584582  74.87724       11.16916  85.36024       11.16916  85.63727 6.521205  91.55350 6.099802  -5.916229      8.929373  
1 1 1 35 19 13 o 33.30189 8.756179  10.06845       5.503577  10.33052       11.00715  9.806375       11.00715  33.51516 12.39888  33.08861 12.36731  0.4265556      17.51236  
1 1 1 35 19 14 o 67.60282 6.878335  52.12436       5.794242  26.42670       11.58848  77.82201       11.58848  48.25328 12.03500  86.95236 6.663698  -38.69908      13.75667  
1 1 1 35 19 15 o 98.46638 4.628994  100.6750       6.404162  87.90475       12.80832  113.4452       12.80832  91.98183 6.962420  104.9509 6.102054  -12.96911      9.257989  
1 1 1 35 19 16 o 50.83597 8.969911  31.30130       6.499463  25.47370       12.99893  37.12889       12.99893  45.55549 13.39003  56.11645 11.93919  -10.56096      17.93982  
1 1 1 35 19 17 o 65.05486 8.605670  53.37755       7.738363  58.10443       15.47673  48.65067       15.47673  69.24866 11.17475  60.86105 13.09027  8.387611       17.21134  
1 1 1 35 20 0  o 233.1111 3.599521  544.5159       16.77281  544.5159       16.77281  544.5159       16.77281  233.1111 3.599521  233.1111 3.599521  0.000000       0.000000  
1 1 1 35 20 1  o 170.1087 1.899849  289.8360       4.569637  296.2021       9.139274  283.4699       9.139274  171.9798 2.657078  168.2375 2.716182  3.742325       3.799698  
1 1 1 35 20 2  o 179.6438 1.854723  323.3769       4.707822  339.0966       9.415645  307.6571       9.415645  184.0191 2.558334  175.2686 2.686061  8.750488       3.709447  
1 1 1 35 20 3  o 113.0312 2.330798  128.2595       3.716702  117.9529       7.433403  138.5663       7.433403  108.4719 3.426418  117.5904 3.160719  -9.118446      4.661596  
1 1 1 35 20 4  o 238.0841 1.934583  567.7595       6.513757  569.3320       13.02751  566.1871       13.02751  238.4143 2.732117  237.7539 2.739706  0.6604614      3.869167  
1 1 1 35 20 5  o 243.7206 2.011952  595.3060       6.933078  609.9297       13.86616  580.6822       13.86616  246.7206 2.810092  240.7204 2.880137  6.000198       4.023904  
1 1 1 35 20 6  o 123.3134 2.444119  152.7803       4.255147  142.5784       8.510294  162.9821       8.510294  119.1769 3.570447  127.4500 3.338680  -8.273117      4.888238  
1 1 1 35 20 7  o 43.14556 6.387758  19.70805       3.850122  25.36887       7.700243  14.04722       7.700243  49.91916 7.712715  36.37197 10.18469  13.54719       12.77552  
1 1 1 35 20 8  o 116.8989 2.802546  137.8086       4.612522  152.7183       9.225043  122.8989       9.225043  123.2761 3.741621  110.5217 4.173409  12.75436       5.605093  
1 1 1 35 20 9  o 112.5385 2.990578  127.5782       4.755473  133.6774       9.510944  121.4790       9.510944  115.2484 4.126282  109.8287 4.329899  5.419662       5.981156  
1 1 1 35 20 10 o 111.2116 3.179584  124.7477       4.998487  129.0458       9.996975  120.4497       9.996975  113.1439 4.417813  109.2792 4.574051  3.864731       6.359168  
1 1 1 35 20 11 o 57.94204 6.231913  35.45161       4.946072  40.44534       9.892144  30.45790       9.892144  62.63720 7.896380  53.24688 9.643347  9.390320       12.46383  
1 1 1 35 20 12 o 62.96984 6.320971  41.46981       5.584582  47.23070       11.16916  35.70893       11.16916  67.54416 8.268046  58.39552 9.563375  9.148643       12.64194  
1 1 1 35 20 13 o 42.74025 7.326506  19.55557       5.069962  5.594112       10.13992  33.51702       10.13992  28.97305 11.58492  56.50745 8.972201  -27.53440      14.65301  
1 1 1 35 20 14 o 65.70157 6.733891  46.02515       6.256447  46.60172       12.51289  45.44859       12.51289  66.14035 9.459351  65.26279 9.586546  0.8775558      13.46778  
1 1 1 35 20 15 o 42.67039 8.573475  20.21314       6.256447  35.16571       12.51289  5.260562       12.51289  55.20706 11.69047  30.13372 12.54396  25.07334       17.14695  
1 1 1 35 20 16 o 50.71297 9.656197  31.88263       7.204682  25.03532       14.40936  38.72993       14.40936  44.81480 14.28687  56.61113 12.99438  -11.79633      19.31239  
1 1 1 35 21 0  f 316.1093 4.279733  1001.727       27.04615  1001.727       27.04615  1001.727       27.04615  316.1093 4.279733  316.1093 4.279733  0.000000       0.000000  
1 1 1 35 21 1  o 128.6700 2.115832  166.0079       3.845356  175.5141       7.690712  156.5017       7.690712  132.3641 2.905136  124.9760 3.076875  7.388023       4.231664  
1 1 1 35 21 2  o 85.79189 2.886870  73.86706       3.502276  74.99161       7.004553  72.74252       7.004553  86.44727 4.051344  85.13650 4.113719  1.310776       5.773740  
1 1 1 35 21 3  o 114.7945 2.312932  132.0954       3.754822  133.1151       7.509643  131.0757       7.509643  115.2387 3.258300  114.3504 3.283610  0.8882828      4.625864  
1 1 1 35 21 4  o 122.3078 2.503974  150.3930       4.317091  136.4887       8.634183  164.2973       8.634183  116.6236 3.701730  127.9919 3.372941  -11.36828      5.007947  
1 1 1 35 21 5  o 144.3509 2.207527  209.0883       4.502927  218.6850       9.005854  199.4916       9.005854  147.6750 3.049215  141.0268 3.192959  6.648178       4.415054  
1 1 1 35 21 6  o 32.93321 7.030326  10.22569       3.988307  18.25949       7.976613  2.191901       7.976613  41.34132 9.786686  24.52510 10.09568  16.81622       14.06065  
1 1 1 35 21 7  o 143.8353 2.351021  207.7589       4.779297  216.2263       9.558595  199.2914       9.558595  146.7787 3.256125  140.8918 3.392175  5.886871       4.702043  
1 1 1 35 21 8  o 129.2954 2.601262  168.0140       4.755473  164.1162       9.510944  171.9117       9.510944  127.7881 3.721373  130.8027 3.635606  -3.014641      5.202524  
1 1 1 35 21 9  o 74.18877 4.411551  56.51769       4.541047  68.92099       9.082094  44.11439       9.082094  82.54806 5.501095  65.82948 6.898196  16.71857       8.823103  
1 1 1 35 21 10 o 103.2207 3.342590  107.6891       4.879362  107.3174       9.758724  108.0607       9.758724  103.0407 4.735373  103.4008 4.718884  -0.3600693     6.685179  
1 1 1 35 21 11 o 69.41048 5.303769  49.70374       5.170027  56.27467       10.34005  43.13280       10.34005  74.14388 6.972966  64.67709 7.993598  9.466782       10.60754  
1 1 1 35 21 12 o 70.09586 6.159286  55.39791       5.227207  26.73166       10.45441  84.06416       10.45441  49.30080 10.89368  90.89091 5.751078  -41.59011      12.31857  
1 1 1 35 21 13 f 57.62614 7.846781  36.94782       6.204032  27.48453       12.40806  46.41112       12.40806  49.01509 12.59201  66.23720 9.366387  -17.22210      15.69356  
1 1 1 35 21 14 o 44.97427 9.004749  22.74812       6.761538  37.60540       13.52308  7.890843       13.52308  57.19068 12.18470  32.75785 13.26179  24.43283       18.00950  
1 1 1 35 21 15 o 76.73120 6.464537  63.35546       7.014082  64.42282       14.02816  62.28811       14.02816  77.42672 9.058995  76.03568 9.224726  1.391037       12.92907  
1 1 1 35 21 16 o 72.69434 7.229710  59.10032       7.390518  65.59502       14.78104  52.60562       14.78104  77.16146 9.577991  68.22721 10.83221  8.934250       14.45942  
1 1 1 35 22 0  o 71.65423 7.089165  53.12024       9.977913  53.12024       9.977913  53.12024       9.977913  71.65423 7.089165  71.65423 7.089165  0.000000       0.000000  
1 1 1 35 22 1  o 58.84166 4.442983  35.90906       3.540397  47.65002       7.080793  24.16809       7.080793  68.81841 5.144549  48.86491 7.245274  19.95349       8.885965  
1 1 1 35 22 2  o 232.5888 1.935861  542.0618       6.366043  556.0186       12.73209  528.1052       12.73209  235.5891 2.702181  229.5885 2.772806  6.000580       3.871722  
1 1 1 35 22 3  o 84.65488 3.169739  73.51445       3.678581  94.11831       7.357163  52.91058       7.357163  96.82422 3.799237  72.48555 5.074917  24.33867       6.339478  
1 1 1 35 22 4  o 143.7003 2.217278  207.4920       4.493397  225.3465       8.986794  189.6375       8.986794  149.9127 2.997343  137.4879 3.268213  12.42480       4.434556  
1 1 1 35 22 5  o 56.34263 5.422864  33.46937       4.045487  23.33898       8.090974  43.59977       8.090974  47.02620 8.925668  65.65907 6.161353  -18.63287      10.84573  
1 1 1 35 22 6  o 113.5205 2.784052  129.5318       4.469572  129.3031       8.939144  129.7605       8.939144  113.4197 3.940736  113.6212 3.933748  -0.2014771     5.568104  
1 1 1 35 22 7  o 58.43097 6.348773  40.85990       4.626817  71.51315       9.253633  10.20663       9.253633  84.11774 5.500405  32.74420 11.44435  51.37354       12.69755  
1 1 1 35 22 8  o 67.52586 4.894960  46.42542       4.674467  46.25864       9.348933  46.59219       9.348933  67.40237 6.935167  67.64935 6.909848  -0.2469788     9.789921  
1 1 1 35 22 9  o 68.72646 4.983971  48.25518       4.836477  45.19128       9.672954  51.31907       9.672954  66.49741 7.273180  70.95551 6.816210  -4.458099      9.967942  
1 1 1 35 22 10 o 181.4969 2.472240  332.0206       6.327922  303.5878       12.65584  360.4533       12.65584  173.6640 3.643773  189.3298 3.342276  -15.66573      4.944480  
1 1 1 35 22 11 o 105.8425 3.867355  114.1885       5.751357  128.9219       11.50271  99.45512       11.50271  112.8026 5.098604  98.88249 5.816356  13.92010       7.734711  
1 1 1 35 22 12 o 130.9927 3.186885  173.8702       5.889543  187.6267       11.77909  160.1136       11.77909  136.2436 4.322803  125.7418 4.683836  10.50178       6.373770  
1 1 1 35 22 13 o 54.90762 8.824809  34.57486       6.756773  42.41805       13.51355  26.73166       13.51355  61.77482 11.36312  48.04041 13.50513  13.73441       17.64962  
1 1 1 35 22 14 o 30.29603 9.188234  2.711286       7.076028  0.1715401      14.15206  5.251032       14.15206  28.97480 12.72129  31.61726 13.26134  -2.642452      18.37647  
1 1 1 35 22 15 o 81.26602 6.095632  72.02300       6.813953  54.09230       13.62791  89.95371       13.62791  70.23392 9.701798  92.29813 7.382547  -22.06421      12.19126  
1 1 1 35 22 16 o 31.18028 13.44086  6.499463       15.23848  6.499463       15.23848  ?              ?         31.18028 13.44086  ?        ?         ?              ?         
1 1 1 35 23 0  o 207.1683 3.761072  430.4607       15.57203  430.4607       15.57203  430.4607       15.57203  207.1683 3.761072  207.1683 3.761072  0.000000       0.000000  
1 1 1 35 23 1  o 46.16183 5.933259  22.81483       3.688112  14.37125       7.376224  31.25841       7.376224  36.76244 9.836270  55.56122 6.637924  -18.79878      11.86652  
1 1 1 35 23 2  o 100.9444 2.530086  102.2855       3.611871  102.3713       7.223743  102.1998       7.223743  100.9869 3.576576  100.9019 3.579588  0.8497620E-01  5.060172  
1 1 1 35 23 3  o 75.32990 3.717644  57.31820       3.950187  62.04985       7.900373  52.58656       7.900373  78.47052 5.033976  72.18929 5.471984  6.281235       7.435289  
1 1 1 35 23 4  o 122.4457 2.542691  150.5121       4.402863  148.9730       8.805723  152.0512       8.805723  121.8172 3.614317  123.0742 3.577404  -1.256958      5.085382  
1 1 1 35 23 5  o 117.2851 2.764284  138.6473       4.564872  153.5474       9.129744  123.7471       9.129744  123.6372 3.692151  110.9330 4.114982  12.70422       5.528568  
1 1 1 35 23 6  o 78.86482 4.222283  65.05181       4.469572  88.19065       8.939144  41.91296       8.939144  93.53477 4.778514  64.19488 6.962506  29.33989       8.444566  
1 1 1 35 23 7  o 38.81028 6.339968  14.52849       4.355212  31.11546       8.710423  -2.058481      8.710423  55.13900 7.898605  22.48157 9.919314  32.65742       12.67994  
1 1 1 35 23 8  o 129.3785 2.674593  168.3094       4.893657  167.8424       9.787313  168.7764       9.787313  129.1980 3.787718  129.5590 3.777165  -0.3609314     5.349185  
1 1 1 35 23 9  o 56.69238 6.255040  33.37884       5.012782  32.27813       10.02556  34.47955       10.02556  55.72161 8.996119  57.66316 8.693213  -1.941555      12.51008  
1 1 1 35 23 10 o 215.0038 2.333449  464.7163       7.095088  463.2344       14.19018  466.1983       14.19018  214.6592 3.305280  215.3484 3.294702  -0.6892395     4.666898  
1 1 1 35 23 11 o 87.52914 4.492069  78.36523       5.546463  72.07542       11.09293  84.65502       11.09293  83.93617 6.607953  91.12212 6.086845  -7.185944      8.984138  
1 1 1 35 23 12 o 144.5649 3.363910  212.2570       6.866368  198.6053       13.73274  225.9088       13.73274  139.8432 4.910048  149.2865 4.599456  -9.443314      6.727820  
1 1 1 35 23 13 o 60.03246 8.055061  40.32621       6.671002  45.97274       13.34200  34.67968       13.34200  65.23953 10.22540  54.82538 12.44899  10.41415       16.11012  
1 1 1 35 23 14 o 32.46091 9.495114  6.480402       7.223743  11.76003       14.44749  1.200781       14.44749  35.44328 13.93766  29.47854 12.89847  5.964741       18.99023  
1 1 1 35 23 15 f 48.94172 14.32914  30.12434       14.91446  30.12434       14.91446  ?              ?         48.94172 14.32914  ?        ?         ?              ?         
1 1 1 35 24 0  o 67.28019 8.272804  47.73579       10.85467  47.73579       10.85467  47.73579       10.85467  67.28019 8.272804  67.28019 8.272804  0.000000       0.000000  
1 1 1 35 24 1  o 121.7459 2.352444  148.7157       4.050251  149.6687       8.100503  147.7627       8.100503  122.1373 3.316146  121.3545 3.337537  0.7827911      4.704888  
1 1 1 35 24 2  o 225.4385 2.037842  510.0982       6.485168  545.5450       12.97034  474.6514       12.97034  233.3002 2.779752  217.5767 2.980635  15.72353       4.075685  
1 1 1 35 24 3  o 161.5120 2.108165  262.0084       4.803122  283.4509       9.606244  240.5659       9.606244  168.1500 2.856450  154.8739 3.101311  13.27611       4.216330  
1 1 1 35 24 4  o 139.4604 2.248848  195.2698       4.431452  185.8732       8.862904  204.6664       8.862904  136.0915 3.256229  142.8294 3.102620  -6.737823      4.497696  
1 1 1 35 24 5  o 97.28046 3.410305  96.32927       4.622052  77.44081       9.244103  115.2178       9.244103  87.57220 5.277990  106.9887 4.320131  -19.41651      6.820609  
1 1 1 35 24 6  o 76.38847 4.145252  59.16702       4.469572  55.00718       8.939144  63.32687       8.939144  73.66566 6.067375  79.11130 5.649726  -5.445641      8.290504  
1 1 1 35 24 7  o 66.20074 5.173464  45.29611       4.741177  34.85123       9.482354  55.74099       9.482354  58.31194 8.130713  74.08955 6.399252  -15.77760      10.34693  
1 1 1 35 24 8  o 63.39799 5.878922  44.32405       4.655407  23.82501       9.310814  64.82309       9.310814  46.88643 10.21305  79.90955 5.825846  -33.02312      11.75784  
1 1 1 35 24 9  f 30.98890 6.979684  2.334852       4.888892  21.72841       9.777783  -17.05871      9.777783  44.45174 11.03541  17.52607 8.548901  26.92566       13.95937  
1 1 1 35 24 10 o 75.13889 5.370218  58.47610       5.646527  49.00328       11.29305  67.94892       11.29305  68.83534 8.202949  81.44243 6.933152  -12.60709      10.74044  
1 1 1 35 24 11 o 82.39848 5.025810  71.07001       5.684648  90.17290       11.36929  51.96711       11.36929  93.99026 6.048124  70.80671 8.028402  23.18356       10.05162  
1 1 1 35 24 12 o 73.21217 6.293446  56.58440       6.475638  63.48889       12.95128  49.67991       12.95128  77.92757 8.309815  68.49677 9.453931  9.430794       12.58689  
1 1 1 35 24 13 f 63.89848 7.721850  46.03469       6.618587  32.46873       13.23717  59.60065       13.23717  52.83952 12.67054  74.95744 8.829795  -22.11792      15.44370  
1 1 1 35 24 14 o 109.1637 5.004540  124.8573       7.709774  133.7917       15.41955  115.9230       15.41955  113.2559 6.807395  105.0715 7.337646  8.184387       10.00908  
1 1 1 35 24 15 o 159.8734 3.934634  264.9913       8.862904  290.4745       17.72581  239.5081       17.72581  167.8432 5.280465  151.9036 5.834558  15.93964       7.869268  
1 1 1 35 25 0  o 69.82224 8.145170  51.20471       11.11199  51.20471       11.11199  51.20471       11.11199  69.82224 8.145170  69.82224 8.145170  0.000000       0.000000  
1 1 1 35 25 1  o 179.8259 2.014310  324.4252       5.117613  307.8858       10.23522  340.9645       10.23522  175.2272 2.920559  184.4246 2.774908  -9.197403      4.028620  
1 1 1 35 25 2  o 70.84034 4.080724  50.78063       4.083606  53.53003       8.167212  48.03122       8.167212  72.78091 5.610822  68.89977 5.926880  3.881134       8.161448  
1 1 1 35 25 3  o 44.28745 6.566113  20.92789       4.069312  14.25689       8.138623  27.59889       8.138623  36.59503 10.54362  51.97986 7.828632  -15.38483      13.13223  
1 1 1 35 25 4  o 83.28175 3.641949  70.01693       4.288502  71.67516       8.577003  68.35872       8.577003  84.27729 5.088562  82.28620 5.211690  1.991089       7.283898  
1 1 1 35 25 5  o 104.9456 3.160155  111.2676       4.669702  123.1562       9.339403  99.37888       9.339403  110.6098 4.221778  99.28143 4.703500  11.32842       6.320311  
1 1 1 35 25 6  o 80.02028 4.005771  64.90886       4.521987  70.10271       9.043974  59.71500       9.043974  83.26561 5.430798  76.77495 5.889925  6.490662       8.011541  
1 1 1 35 25 7  o 85.61642 4.200671  75.06784       5.012782  60.64895       10.02556  89.48673       10.02556  77.19579 6.493595  94.03706 5.330645  -16.84127      8.401342  
1 1 1 35 25 8  o 51.62202 7.267087  28.98551       5.117613  25.96926       10.23522  32.00175       10.23522  48.68440 10.79704  54.55965 9.729658  -5.875248      14.53417  
1 1 1 35 25 9  o 40.45931 8.403237  17.83540       5.198617  14.04722       10.39723  21.62358       10.39723  36.67155 12.15627  44.24707 11.60529  -7.575527      16.80647  
1 1 1 35 25 10 f 50.92940 7.254418  29.29047       5.284387  11.62661       10.56877  46.95433       10.56877  34.42300 12.21068  67.43581 7.836174  -33.01281      14.50884  
1 1 1 35 25 11 o 62.13796 6.674656  41.58418       5.641763  49.06999       11.28353  34.09835       11.28353  68.57479 8.227167  55.70113 10.51275  12.87366       13.34931  
1 1 1 35 25 12 o 39.44116 9.435872  16.71086       6.499463  9.958854       12.99893  23.46287       12.99893  33.96019 13.25180  44.92213 13.43623  -10.96193      18.87174  
1 1 1 35 25 13 o 28.73355 8.842797  0.9577653      6.775833  -1.991771      13.55167  3.907302       13.55167  27.24547 12.16209  30.22164 12.83993  -2.976168      17.68559  
1 1 1 35 25 14 o 64.21760 8.532539  49.17005       7.433403  65.76655       14.86681  32.57355       14.86681  77.44355 9.598480  50.99165 14.10979  26.45190       17.06508  
1 1 1 35 25 15 o 28.58120 12.85524  1.172190       15.40049  1.172190       15.40049  ?              ?         28.58120 12.85524  ?        ?         ?              ?         
1 1 1 35 26 0  o 151.7080 4.503381  231.5791       13.63744  231.5791       13.63744  231.5791       13.63744  151.7080 4.503381  151.7080 4.503381  0.000000       0.000000  
1 1 1 35 26 1  o 108.9561 2.785384  119.5110       4.283737  111.0436       8.567473  127.9784       8.567473  105.0704 4.077017  112.8418 3.796234  -7.771393      5.570768  
1 1 1 35 26 2  o 51.83674 6.155423  28.29935       4.340917  22.53846       8.681833  34.06023       8.681833  45.88428 9.753574  57.78920 7.511641  -11.90491      12.31085  
1 1 1 35 26 3  o 124.7029 2.669981  156.4302       4.703057  147.6484       9.406114  165.2121       9.406114  121.1817 3.880995  128.2240 3.667845  -7.042259      5.339963  
1 1 1 35 26 4  o 118.0000 2.836900  140.1339       4.731647  134.9163       9.463295  145.3516       9.463295  115.7891 4.086434  120.2109 3.936122  -4.421753      5.673800  
1 1 1 35 26 5  f 79.54084 3.915428  64.01304       4.402863  62.09750       8.805723  65.92857       8.805723  78.33672 5.620432  80.74496 5.452801  -2.408234      7.830855  
1 1 1 35 26 6  o 49.93242 7.191256  27.35111       5.012782  15.08600       10.02556  39.61623       10.02556  37.75407 11.90463  62.11077 8.070713  -24.35670      14.38251  
1 1 1 35 26 7  o 80.03970 4.857622  65.77609       5.470222  58.26645       10.94044  73.28574       10.94044  75.34850 7.259895  84.73090 6.455995  -9.382401      9.715243  
1 1 1 35 26 8  o 107.9448 3.774400  120.4545       5.584582  154.0335       11.16916  86.87551       11.16916  123.4986 4.521981  92.39104 6.044506  31.10754       7.548799  
1 1 1 35 26 9  o 210.4576 2.551756  446.6189       7.576353  410.9147       15.15271  482.3231       15.15271  201.9751 3.751132  218.9401 3.460468  -16.96503      5.103512  
1 1 1 35 26 10 o 42.87502 8.996619  20.44186       5.999137  14.75245       11.99827  26.13127       11.99827  37.63400 13.04315  48.11603 12.39488  -10.48203      17.99324  
1 1 1 35 26 11 o 30.12447 8.917109  3.926362       6.385102  2.554041       12.77020  5.298682       12.77020  29.30116 12.45700  30.94779 12.76255  -1.646639      17.83422  
1 1 1 35 26 12 o 35.42082 9.378762  10.80702       6.761538  19.86053       13.52308  1.753521       13.52308  41.59593 13.86370  29.24571 12.63498  12.35023       18.75752  
1 1 1 35 26 13 o 49.53839 9.879451  29.90515       7.328573  24.05373       14.65715  35.75658       14.65715  44.56741 14.42950  54.50937 13.49828  -9.941967      19.75890  
1 1 1 35 26 14 o 37.39719 14.54354  14.91446       15.62921  14.91446       15.62921  ?              ?         37.39719 14.54354  ?        ?         ?              ?         
1 1 1 35 27 0  o 85.19049 7.575035  75.02972       12.71302  75.02972       12.71302  75.02972       12.71302  85.19049 7.575035  85.19049 7.575035  0.000000       0.000000  
1 1 1 35 27 1  o 98.91145 3.127245  98.54977       4.374272  99.56948       8.748544  97.53007       8.748544  99.42692 4.399485  98.39598 4.445580  1.030937       6.254490  
1 1 1 35 27 2  o 170.7007 2.236493  292.4996       5.398747  296.0972       10.79749  288.9020       10.79749  171.7545 3.143294  169.6469 3.182343  2.107529       4.472986  
1 1 1 35 27 3  o 105.1556 3.144666  111.7298       4.655407  99.58853       9.310814  123.8710       9.310814  99.38263 4.684327  110.9286 4.196760  -11.54597      6.289333  
1 1 1 35 27 4  o 25.60773 7.581106  1.729696       4.612522  2.068011       9.225043  1.391381       9.225043  25.84718 10.76578  25.36828 10.67664  0.4789047      15.16221  
1 1 1 35 27 5  o 80.44344 4.102756  65.69508       4.660172  61.51618       9.320344  69.87399       9.320344  77.84602 5.986397  83.04086 5.611903  -5.194832      8.205511  
1 1 1 35 27 6  o 28.58092 7.911955  2.239551       5.255797  -8.319694      10.51159  12.79880       10.51159  21.62302 10.05471  35.53883 12.21879  -13.91581      15.82391  
1 1 1 35 27 7  o 50.22227 7.834857  27.66084       5.417807  28.21834       10.83561  27.10333       10.83561  50.76423 10.98312  49.68031 11.17636  1.083916       15.66971  
1 1 1 35 27 8  o 109.4694 3.876977  121.7601       5.994372  114.7508       11.98874  128.7694       11.98874  106.2679 5.640811  112.6709 5.320249  -6.402992      7.753953  
1 1 1 35 27 9  f 27.60044 8.240347  2.068011       5.527402  3.001951       11.05480  1.134070       11.05480  28.18602 11.76543  27.01486 11.54071  1.171156       16.48069  
1 1 1 35 27 10 o 113.1093 4.135662  130.9947       6.599527  141.2442       13.19905  120.7451       13.19905  117.6401 5.609930  108.5785 6.078116  9.061615       8.271324  
1 1 1 35 27 11 o 132.0359 3.822680  178.1491       7.137973  178.3350       14.27595  177.9633       14.27595  132.1063 5.403204  131.9656 5.408967  0.1407318      7.645360  
1 1 1 35 27 12 o 41.96453 10.01152  20.50380       7.099854  23.72971       14.19971  17.27790       14.19971  44.53126 14.18114  39.39780 14.13567  5.133457       20.02303  
1 1 1 35 27 13 o 50.26479 9.225196  30.96775       7.176094  45.98227       14.35219  15.95323       14.35219  62.72675 11.87201  37.80284 14.12347  24.92391       18.45039  
1 1 1 35 27 14 o 52.11486 14.66373  36.09013       15.92464  36.09013       15.92464  ?              ?         52.11486 14.66373  ?        ?         ?              ?         
1 1 1 35 28 0  o 199.3751 4.361557  399.4977       17.37320  399.4977       17.37320  399.4977       17.37320  199.3751 4.361557  199.3751 4.361557  0.000000       0.000000  
1 1 1 35 28 1  o 70.09686 4.696689  49.98964       4.650642  52.69139       9.301284  47.28788       9.301284  72.02402 6.457070  68.16971 6.822154  3.854317       9.393377  
1 1 1 35 28 2  o 119.0719 2.796170  142.9262       4.693527  129.8368       9.387053  156.0157       9.387053  113.5755 4.132518  124.5684 3.767832  -10.99291      5.592339  
1 1 1 35 28 3  o 130.8567 2.876561  172.3930       5.322507  168.8907       10.64501  175.8953       10.64501  129.5184 4.109458  132.1949 4.026258  -2.676422      5.753121  
1 1 1 35 28 4  o 54.32270 6.582928  31.15834       4.927012  34.26036       9.854024  28.05633       9.854024  57.59325 8.554842  51.05215 10.00772  6.541107       13.16586  
1 1 1 35 28 5  o 32.47604 8.245822  9.167863       5.046137  14.90493       10.09227  3.430801       10.09227  37.37873 11.96073  27.57334 11.35409  9.805391       16.49164  
1 1 1 35 28 6  f 21.55493 7.067615  -8.395934      5.217677  -5.946723      10.43535  -10.84515      10.43535  22.59548 10.30995  20.51439 9.670039  2.081097       14.13523  
1 1 1 35 28 7  o 61.31348 6.344347  39.17785       5.484517  35.79469       10.96903  42.56100       10.96903  58.55458 9.366505  64.07237 8.559878  -5.517792      12.68869  
1 1 1 35 28 8  o 35.96360 8.080033  9.553831       5.808537  -7.071262      11.61707  26.17892       11.61707  23.50273 10.78689  48.42448 12.03290  -24.92175      16.16007  
1 1 1 35 28 9  o 63.91811 7.574581  47.89304       6.242152  19.99395       12.48430  75.79211       12.48430  42.18859 13.28080  85.64762 7.288180  -43.45903      15.14916  
1 1 1 35 28 10 o 88.97485 5.331411  82.22488       6.699593  77.51705       13.39919  86.93269       13.39919  86.32927 7.760512  91.62045 7.312335  -5.291176      10.66282  
1 1 1 35 28 11 o 75.04536 6.862952  62.14039       6.804423  80.50948       13.60885  43.77131       13.60885  87.69431 7.759253  62.39642 11.32230  25.29789       13.72590  
1 1 1 35 28 12 o 47.63731 10.01065  27.59413       7.471523  19.76523       14.94305  35.42302       14.94305  41.20031 14.52896  54.07431 13.77542  -12.87400      20.02131  
1 1 1 35 28 13 o 31.93134 13.58113  5.803772       15.19082  5.803772       15.19082  ?              ?         31.93134 13.58113  ?        ?         ?              ?         
1 1 1 35 29 0  o 84.54652 8.201297  74.47698       13.62791  74.47698       13.62791  74.47698       13.62791  84.54652 8.201297  84.54652 8.201297  0.000000       0.000000  
1 1 1 35 29 1  o 80.43645 4.090251  65.83327       4.631582  58.68576       9.263164  72.98077       9.263164  75.99350 6.094707  84.87940 5.456661  -8.885902      8.180502  
1 1 1 35 29 2  o 76.89659 4.553706  60.69660       4.893657  71.20819       9.787313  50.18500       9.787313  83.73148 5.844465  70.06170 6.984782  13.66978       9.107411  
1 1 1 35 29 3  o 92.86553 3.936573  87.75704       5.150967  96.30068       10.30193  79.21339       10.30193  97.46555 5.284911  88.26552 5.835763  9.200027       7.873145  
1 1 1 35 29 4  o 49.04424 7.448535  26.51723       5.217677  14.68574       10.43535  38.34874       10.43535  37.27198 12.17855  60.81649 8.579379  -23.54451      14.89707  
1 1 1 35 29 5  o 104.3562 3.898369  110.7053       5.737062  101.2563       11.47412  120.1543       11.47412  99.82889 5.746896  108.8835 5.268994  -9.054565      7.796737  
1 1 1 35 29 6  o 47.27764 7.610371  24.47782       5.498813  9.320344       10.99763  39.63528       10.99763  32.81615 12.34280  61.73912 8.906528  -28.92297      15.22074  
1 1 1 35 29 7  o 127.8342 3.357695  165.6029       6.056317  152.8327       12.11263  178.3731       12.11263  122.8394 4.930273  132.8291 4.559483  -9.989670      6.715391  
1 1 1 35 29 8  o 37.09469 9.267484  13.74703       6.189737  9.082094       12.37947  18.41197       12.37947  33.32073 12.94655  40.86864 13.26392  -7.547909      18.53497  
1 1 1 35 29 9  o 57.73703 8.259408  37.35761       6.513757  38.72993       13.02751  35.98529       13.02751  58.94322 11.45983  56.53083 11.89720  2.412388       16.51882  
1 1 1 35 29 10 o 33.22923 9.248984  5.727532       7.090323  -7.080793      14.18065  18.53586       14.18065  25.86915 11.89178  40.58932 14.16900  -14.72017      18.49797  
1 1 1 35 29 11 o 44.43853 8.925886  19.07907       7.709774  45.16269       15.41955  -7.004553      15.41955  61.99611 12.86629  26.88094 12.37515  35.11517       17.85177  
1 1 1 35 29 12 o 33.90433 13.94023  9.387053       15.19082  9.387053       15.19082  ?              ?         33.90433 13.94023  ?        ?         ?              ?         
1 1 1 35 29 13 o 29.08968 12.99096  0.6575702      15.47673  0.6575702      15.47673  ?              ?         29.08968 12.99096  ?        ?         ?              ?         
1 1 1 35 30 0  o 47.55632 16.68394  30.94392       14.35219  30.94392       14.35219  30.94392       14.35219  47.55632 16.68394  47.55632 16.68394  0.000000       0.000000  
1 1 1 35 30 1  o 49.62272 7.128242  26.76025       4.831712  23.81548       9.663424  29.70502       9.663424  46.65438 10.59545  52.59106 9.538542  -5.936684      14.25648  
1 1 1 35 30 2  o 34.65680 8.468501  11.94586       5.084257  14.33313       10.16851  9.558595       10.16851  36.85659 12.02183  32.45701 11.93054  4.399578       16.93700  
1 1 1 35 30 3  o 81.79875 4.482287  69.24024       5.060432  86.26560       10.12086  52.21489       10.12086  92.20561 5.488204  71.39190 7.088243  20.81371       8.964574  
1 1 1 35 30 4  o 81.56374 4.822888  68.23483       5.536932  60.77284       11.07386  75.69682       11.07386  76.98940 7.191811  86.13806 6.427974  -9.148659      9.645777  
1 1 1 35 30 5  o 75.85882 5.267187  60.09621       5.503577  44.85773       11.00715  75.33468       11.00715  65.81485 8.362212  85.90279 6.406750  -20.08794      10.53437  
1 1 1 35 30 6  o 58.99940 7.561761  38.43927       6.013433  25.40699       12.02687  51.47155       12.02687  47.60178 12.48007  70.39701 8.542171  -22.79523      15.12352  
1 1 1 35 30 7  o 128.0716 3.452805  166.3653       6.251682  161.5050       12.50336  171.2256       12.50336  126.1741 4.954805  129.9691 4.810129  -3.794998      6.905609  
1 1 1 35 30 8  o 78.62160 5.860362  64.65631       6.508993  61.34463       13.01799  67.96799       13.01799  76.51552 8.506763  80.72769 8.062901  -4.212173      11.72072  
1 1 1 35 30 9  o 112.2885 4.531181  129.9511       7.195153  131.4092       14.39031  128.4930       14.39031  112.9378 6.370899  111.6393 6.445001  1.298523       9.062362  
1 1 1 35 30 10 o 28.76973 8.939621  -1.329436      7.195153  5.413042       14.39031  -8.071913      14.39031  31.86504 13.36922  25.67442 11.87144  6.190624       17.87924  
1 1 1 35 30 11 o 55.53166 9.310549  37.23849       7.323808  46.78279       14.64762  27.69419       14.64762  63.59718 11.95556  47.46614 14.27620  16.13103       18.62110  
1 1 1 35 30 12 o 32.21570 13.92464  4.812652       16.43926  4.812652       16.43926  ?              ?         32.21570 13.92464  ?        ?         ?              ?         
1 1 1 35 31 0  o 91.19694 8.072428  86.38948       14.50467  86.38948       14.50467  86.38948       14.50467  91.19694 8.072428  91.19694 8.072428  0.000000       0.000000  
1 1 1 35 31 1  o 50.07410 6.882103  28.44706       4.907952  47.56425       9.815904  9.329873       9.815904  68.10945 7.205978  32.03874 11.72720  36.07071       13.76421  
1 1 1 35 31 2  o 46.23367 7.943656  23.68682       5.279623  31.54431       10.55925  15.82934       10.55925  54.04531 10.14284  38.42202 12.22823  15.62329       15.88731  
1 1 1 35 31 3  o 102.6870 3.866626  107.1172       5.608407  101.1419       11.21681  113.0926       11.21681  99.77752 5.620913  105.5965 5.311169  -5.818962      7.733252  
1 1 1 35 31 4  o 52.20557 7.786636  29.95757       5.575052  26.85555       11.15010  33.05959       11.15010  49.25005 11.51451  55.16111 10.48536  -5.911060      15.57327  
1 1 1 35 31 5  o 33.26802 8.982887  8.824783       6.008667  13.17047       12.01733  4.479102       12.01733  36.46087 13.01185  30.07518 12.38793  6.385693       17.96577  
1 1 1 35 31 6  o 56.14227 8.093047  34.98465       6.204032  35.56598       12.40806  34.40331       12.40806  56.67038 11.34818  55.61415 11.54160  1.056229       16.18609  
1 1 1 35 31 7  o 65.95118 7.931897  49.21770       6.918783  30.82003       13.83757  67.61537       13.83757  51.61841 13.31885  80.28394 8.617891  -28.66553      15.86379  
1 1 1 35 31 8  o 46.36448 7.259804  19.34591       6.694828  -13.07517      13.38966  51.76698       13.38966  23.02690 10.88873  69.70206 9.604921  -46.67516      14.51961  
1 1 1 35 31 9  o 99.68523 4.939100  103.1575       6.961668  105.3637       13.92334  100.9513       13.92334  100.7918 6.906979  98.57864 7.062045  2.213165       9.878200  
1 1 1 35 31 10 o 58.27099 8.852293  39.95930       7.095088  46.15381       14.19018  33.76480       14.19018  63.50932 11.60277  53.03266 13.37266  10.47665       17.70459  
1 1 1 35 31 11 o 21.74188 10.62505  -23.31992      15.33377  -23.31992      15.33377  ?              ?         21.74188 10.62505  ?        ?         ?              ?         
1 1 1 35 31 12 o 26.05870 12.23559  -8.672303      16.37255  -8.672303      16.37255  ?              ?         26.05870 12.23559  ?        ?         ?              ?         
1 1 1 35 32 0  o 20.47113 13.68868  -2.696991      14.88587  -2.696991      14.88587  -2.696991      14.88587  20.47113 13.68868  20.47113 13.68868  0.000000       0.000000  
1 1 1 35 32 1  o 89.70319 4.491538  83.98316       5.494047  109.0137       10.98809  58.95260       10.98809  103.6551 5.300318  75.75130 7.252743  27.90376       8.983076  
1 1 1 35 32 2  o 99.02954 4.127403  99.82679       5.779948  101.2182       11.55990  98.43542       11.55990  99.73205 5.795476  98.32703 5.878289  1.405014       8.254807  
1 1 1 35 32 3  o 28.99460 7.976356  0.9387049      5.551227  -12.75115      11.10245  14.62856       11.10245  20.63982 9.833138  37.34938 12.56178  -16.70956      15.95271  
1 1 1 35 32 4  o 48.16795 8.011020  25.54994       5.956253  10.42582       11.91251  40.67405       11.91251  34.14058 12.84495  62.19531 9.576691  -28.05473      16.02204  
1 1 1 35 32 5  o 75.31010 5.840720  59.78172       6.099203  72.77110       12.19841  46.79232       12.19841  83.93404 7.266661  66.68616 9.146129  17.24788       11.68144  
1 1 1 35 32 6  o 123.7995 3.903361  157.6406       6.742478  186.6737       13.48496  128.6074       13.48496  135.5254 4.975066  112.0736 6.016114  23.45176       7.806723  
1 1 1 35 32 7  o 69.64962 7.364333  54.15425       6.723418  72.33273       13.44684  35.97576       13.44684  83.15111 8.085783  56.14814 12.31071  27.00297       14.72867  
1 1 1 35 32 8  o 53.67014 8.780367  33.49796       7.095088  16.78234       14.19018  50.21359       14.19018  39.31026 14.12827  68.03001 10.42935  -28.71975      17.56073  
1 1 1 35 32 9  f 50.16630 9.560979  30.42454       7.142738  21.83324       14.28548  39.01583       14.28548  42.79660 14.24914  57.53600 12.75191  -14.73939      19.12196  
1 1 1 35 32 10 o 81.16199 5.993967  70.79840       6.871132  66.95781       13.74226  74.63898       13.74226  78.79599 8.720156  83.52799 8.226144  -4.732002      11.98793  
1 1 1 35 32 11 o 51.48430 15.17766  34.65110       16.67751  34.65110       16.67751  ?              ?         51.48430 15.17766  ?        ?         ?              ?         
1 1 1 35 33 0  o 66.21016 13.15427  50.25171       15.49579  50.25171       15.49579  50.25171       15.49579  66.21016 13.15427  66.21016 13.15427  0.000000       0.000000  
1 1 1 35 33 1  o 53.84570 7.440638  33.39790       5.803772  9.854024       11.60754  56.94177       11.60754  33.49664 12.65951  74.19476 7.822349  -40.69812      14.88128  
1 1 1 35 33 2  o 105.5884 4.006426  113.6024       5.980077  109.8809       11.96015  117.3239       11.96015  103.8261 5.759704  107.3506 5.570603  -3.524498      8.012853  
1 1 1 35 33 3  f 84.44302 4.974162  73.50968       5.937192  76.11614       11.87438  70.90323       11.87438  85.98635 6.904808  82.89970 7.161899  3.086647       9.948324  
1 1 1 35 33 4  o 96.56046 4.577963  96.40553       6.184973  80.66195       12.36995  112.1491       12.36995  88.40828 6.995920  104.7126 5.906615  -16.30437      9.155927  
1 1 1 35 33 5  o 87.82236 5.396086  80.16639       6.690063  74.86771       13.38013  85.46507       13.38013  84.80566 7.888699  90.83906 7.364742  -6.033401      10.79217  
1 1 1 35 33 6  o 74.01360 6.660777  58.36175       6.966432  55.85535       13.93286  60.86814       13.93286  72.32040 9.632735  75.70679 9.201859  -3.386398      13.32155  
1 1 1 35 33 7  o 60.39935 8.606910  41.79383       7.095088  45.00068       14.19018  38.58699       14.19018  63.06920 11.68857  57.72950 12.63697  5.339706       17.21382  
1 1 1 35 33 8  o 115.9131 4.665866  139.5812       7.647829  141.7302       15.29566  137.4322       15.29566  116.8401 6.545552  114.9861 6.651090  1.853989       9.331733  
1 1 1 35 33 9  o 38.02800 14.93599  14.98116       16.57268  14.98116       16.57268  ?              ?         38.02800 14.93599  ?        ?         ?              ?         
1 1 1 35 33 10 o 37.76759 14.75490  15.24801       16.12477  15.24801       16.12477  ?              ?         37.76759 14.75490  ?        ?         ?              ?         
1 1 1 35 34 0  o 109.7839 8.355508  125.2910       18.13560  125.2910       18.13560  125.2910       18.13560  109.7839 8.355508  109.7839 8.355508  0.000000       0.000000  
1 1 1 35 34 1  o 89.29607 4.777027  82.12482       6.032492  82.69185       12.06498  81.55777       12.06498  89.61357 6.731673  88.97856 6.779715  0.6350098      9.554054  
1 1 1 35 34 2  o 32.80975 9.212030  8.210099       6.370807  7.643063       12.74161  8.777133       12.74161  32.42850 12.97813  33.19101 13.07724  -0.7625046     18.42406  
1 1 1 35 34 3  o 114.0013 4.029740  132.8292       6.489933  139.7480       12.97987  125.9104       12.97987  117.0358 5.545253  110.9668 5.848536  6.069054       8.059480  
1 1 1 35 34 4  f 62.44258 7.325748  42.74683       6.213562  34.20318       12.42712  51.29048       12.42712  55.13106 11.63260  69.75411 8.907808  -14.62305      14.65150  
1 1 1 35 34 5  o 65.11433 7.877870  48.39812       6.809187  65.62360       13.61837  31.17264       13.61837  78.73503 8.648231  51.49364 13.17010  27.24139       15.75574  
1 1 1 35 34 6  f 36.00399 9.906028  11.76479       7.295218  8.920084       14.59044  14.60950       14.59044  34.13037 13.79260  37.87760 14.22258  -3.747223      19.81206  
1 1 1 35 34 7  o 85.71662 6.347606  79.80425       7.490582  60.16291       14.98116  99.44558       14.98116  74.25948 10.08704  97.17376 7.708442  -22.91428      12.69521  
1 1 1 35 34 8  o 29.89526 13.28289  -0.1810701     15.99135  -0.1810701     15.99135  ?              ?         29.89526 13.28289  ?        ?         ?              ?         
1 1 1 35 34 9  o 89.02119 6.635968  86.94699       8.257749  72.99983       16.51550  100.8941       16.51550  81.18758 10.17120  96.85481 8.525904  -15.66723      13.27194  
1 1 1 35 35 0  o 90.92215 15.73809  91.87877       26.26469  91.87877       26.26469  91.87877       26.26469  90.92215 15.73809  90.92215 15.73809  0.000000       0.000000  
1 1 1 35 35 1  o 24.13649 15.80387  1.562921       18.24996  1.562921       18.24996  1.562921       18.24996  24.13649 15.80387  24.13649 15.80387  0.000000       0.000000  
1 1 1 35 35 2  o 57.54988 18.56809  45.21034       18.81223  45.21034       18.81223  45.21034       18.81223  57.54988 18.56809  57.54988 18.56809  0.000000       0.000000  
1 1 1 35 35 3  o 115.0320 8.309418  137.8896       18.91706  137.8896       18.91706  137.8896       18.91706  115.0320 8.309418  115.0320 8.309418  0.000000       0.000000  
1 1 1 35 35 4  o 18.29384 13.02417  -18.64069      18.91706  -18.64069      18.91706  -18.64069      18.91706  18.29384 13.02417  18.29384 13.02417  0.000000       0.000000  
1 1 1 35 35 5  o 197.9215 6.040826  398.6115       23.86313  398.6115       23.86313  398.6115       23.86313  197.9215 6.040826  197.9215 6.040826  0.000000       0.000000  
1 1 1 35 35 6  o 28.96194 17.89758  11.30258       19.91771  11.30258       19.91771  11.30258       19.91771  28.96194 17.89758  28.96194 17.89758  0.000000       0.000000  
1 1 1 36 0  0  o 62.29933 6.965570  40.29285       8.491233  40.29285       8.491233  40.29285       8.491233  62.29933 6.965570  62.29933 6.965570  0.000000       0.000000  
1 1 1 36 0  1  o 63.70187 4.619009  41.25539       5.822832  41.25539       5.822832  41.25539       5.822832  63.70187 4.619009  63.70187 4.619009  0.000000       0.000000  
1 1 1 36 0  2  o 14.82172 9.398716  1.038770       5.870482  1.038770       5.870482  1.038770       5.870482  14.82172 9.398716  14.82172 9.398716  0.000000       0.000000  
1 1 1 36 0  3  o 141.3685 4.167339  200.5399       11.76003  200.5399       11.76003  200.5399       11.76003  141.3685 4.167339  141.3685 4.167339  0.000000       0.000000  
1 1 1 36 0  4  o 141.0110 3.447949  199.3296       9.711073  199.3296       9.711073  199.3296       9.711073  141.0110 3.447949  141.0110 3.447949  0.000000       0.000000  
1 1 1 36 0  5  o 92.34160 6.012177  86.54196       11.00715  86.54196       11.00715  86.54196       11.00715  92.34160 6.012177  92.34160 6.012177  0.000000       0.000000  
1 1 1 36 0  6  o 180.6301 4.551665  327.3175       16.42020  327.3175       16.42020  327.3175       16.42020  180.6301 4.551665  180.6301 4.551665  0.000000       0.000000  
1 1 1 36 0  7  o 27.12636 14.37853  10.89279       10.36865  10.89279       10.36865  10.89279       10.36865  27.12636 14.37853  27.12636 14.37853  0.000000       0.000000  
1 1 1 36 0  8  o 45.79919 14.53017  26.72213       11.67426  26.72213       11.67426  26.72213       11.67426  45.79919 14.53017  45.79919 14.53017  0.000000       0.000000  
1 1 1 36 0  9  o 23.46076 13.88856  6.661473       11.02621  6.661473       11.02621  6.661473       11.02621  23.46076 13.88856  23.46076 13.88856  0.000000       0.000000  
1 1 1 36 0  10 o 38.66781 15.33645  21.05178       11.38835  21.05178       11.38835  21.05178       11.38835  38.66781 15.33645  38.66781 15.33645  0.000000       0.000000  
1 1 1 36 0  11 o 105.3686 8.126876  114.0646       16.92529  114.0646       16.92529  114.0646       16.92529  105.3686 8.126876  105.3686 8.126876  0.000000       0.000000  
1 1 1 36 0  12 o 125.2190 7.487400  159.9992       18.61210  159.9992       18.61210  159.9992       18.61210  125.2190 7.487400  125.2190 7.487400  0.000000       0.000000  
1 1 1 36 0  13 o 138.6862 8.940582  197.6046       24.58741  197.6046       24.58741  197.6046       24.58741  138.6862 8.940582  138.6862 8.940582  0.000000       0.000000  
1 1 1 36 0  14 o 32.49706 17.41639  16.69657       15.34331  16.69657       15.34331  16.69657       15.34331  32.49706 17.41639  32.49706 17.41639  0.000000       0.000000  
1 1 1 36 0  15 o 108.6204 9.961760  123.9091       21.29956  123.9091       21.29956  123.9091       21.29956  108.6204 9.961760  108.6204 9.961760  0.000000       0.000000  
1 1 1 36 0  16 o 47.17131 22.35970  37.41479       23.77736  37.41479       23.77736  37.41479       23.77736  47.17131 22.35970  47.17131 22.35970  0.000000       0.000000  
1 1 1 36 0  17 o 27.10740 18.13467  -0.7338103     26.19798  -0.7338103     26.19798  -0.7338103     26.19798  27.10740 18.13467  27.10740 18.13467  0.000000       0.000000  
1 1 1 36 0  18 o 125.9864 7.112533  164.3830       17.80205  164.3830       17.80205  164.3830       17.80205  125.9864 7.112533  125.9864 7.112533  0.000000       0.000000  
1 1 1 36 1  0  o 62.66444 5.312593  40.15944       6.566173  40.15944       6.566173  40.15944       6.566173  62.66444 5.312593  62.66444 5.312593  0.000000       0.000000  
1 1 1 36 1  1  o 209.3525 1.594159  439.2332       4.707822  403.1382       9.415645  475.3280       9.415645  200.7319 2.345328  217.9731 2.159818  -17.24123      3.188319  
1 1 1 36 1  2  o 83.74759 1.983490  70.18848       2.349146  69.72150       4.698292  70.65545       4.698292  83.46879 2.814400  84.02638 2.795724  -0.5575943     3.966979  
1 1 1 36 1  3  f 212.2700 1.628890  450.8788       4.888892  461.1664       9.777783  440.5912       9.777783  214.6933 2.277152  209.8468 2.329744  4.846481       3.257780  
1 1 1 36 1  4  o 296.1965 2.040754  878.1471       8.548413  877.3227       17.09683  878.9713       17.09683  296.0574 2.887417  296.3357 2.884706  -0.2782898     4.081508  
1 1 1 36 1  5  o 250.7915 2.053956  629.8617       7.280923  606.0988       14.56185  653.6249       14.56185  246.0539 2.959077  255.5291 2.849352  -9.475235      4.107912  
1 1 1 36 1  6  o 263.3477 2.129443  694.4133       7.928963  711.0908       15.85793  677.7358       15.85793  266.5142 2.975062  260.1813 3.047476  6.332886       4.258885  
1 1 1 36 1  7  o 72.28548 3.440109  52.44361       3.516572  53.00588       7.033143  51.88135       7.033143  72.67441 4.838803  71.89655 4.891155  0.7778549      6.880219  
1 1 1 36 1  8  o 161.7428 2.105392  262.9852       4.788827  230.9501       9.577654  295.0203       9.577654  151.8397 3.153870  171.6459 2.789945  -19.80621      4.210783  
1 1 1 36 1  9  o 199.5786 2.301085  399.2071       6.494698  397.6013       12.98940  400.8129       12.98940  199.1763 3.260778  199.9809 3.247659  -0.8045654     4.602169  
1 1 1 36 1  10 o 76.31863 4.096256  58.76200       4.417156  55.91254       8.834313  61.61147       8.834313  74.45181 5.932908  78.18546 5.649589  -3.733650      8.192512  
1 1 1 36 1  11 o 137.4344 3.162403  190.7716       6.108732  214.9778       12.21746  166.5654       12.21746  146.2409 4.177171  128.6280 4.749147  17.61292       6.324805  
1 1 1 36 1  12 o 80.20039 6.311670  66.26688       7.133208  72.54240       14.26642  59.99138       14.26642  84.11279 8.480527  76.28800 9.350367  7.824791       12.62334  
1 1 1 36 1  13 o 127.2519 4.413054  164.3783       7.938493  169.7675       15.87699  158.9891       15.87699  129.3694 6.136298  125.1344 6.343976  4.235062       8.826109  
1 1 1 36 1  14 f 64.32131 9.571719  46.64460       8.443583  40.31192       16.88717  52.97729       16.88717  59.43743 14.34817  69.20519 12.67286  -9.767765      19.14344  
1 1 1 36 1  15 f 81.53592 7.486542  72.53285       8.057619  94.37563       16.11524  50.69009       16.11524  95.37879 8.448019  67.69305 12.36221  27.68574       14.97308  
1 1 1 36 1  16 o 51.62544 10.60588  30.55796       9.158334  11.87438       18.31667  49.24153       18.31667  38.43312 15.48581  64.81777 14.49580  -26.38465      21.21176  
1 1 1 36 1  17 o 128.3417 5.684853  173.1840       10.30193  183.8528       20.60387  162.5152       20.60387  132.4982 7.775153  124.1853 8.295613  8.312836       11.36971  
1 1 1 36 1  18 o 37.64795 8.654617  15.93893       5.617938  23.72018       11.23588  8.157682       11.23588  44.50197 12.24547  30.79393 12.23348  13.70804       17.30923  
1 1 1 36 2  0  o 273.8841 3.517412  750.9261       19.26014  750.9261       19.26014  750.9261       19.26014  273.8841 3.517412  273.8841 3.517412  0.000000       0.000000  
1 1 1 36 2  1  o 123.5677 1.644264  153.6141       2.849471  130.8374       5.698943  176.3909       5.698943  114.3514 2.491855  132.7840 2.145945  -18.43258      3.288529  
1 1 1 36 2  2  o 193.7637 1.558869  376.3017       4.259912  344.1284       8.519823  408.4750       8.519823  185.4615 2.296925  202.0659 2.108180  -16.60440      3.117738  
1 1 1 36 2  3  o 260.6859 1.710718  680.5042       6.299332  642.2365       12.59866  718.7720       12.59866  253.3461 2.486453  268.0258 2.350271  -14.67966      3.421436  
1 1 1 36 2  4  o 292.0711 2.168304  854.1456       8.953437  829.6917       17.90688  878.5996       17.90688  287.8848 3.110077  296.2574 3.022182  -8.372620      4.336607  
1 1 1 36 2  5  o 103.8665 2.553780  108.1751       3.745291  101.1610       7.490582  115.1892       7.490582  100.4901 3.727027  107.2430 3.492341  -6.752968      5.107561  
1 1 1 36 2  6  o 193.7313 2.115097  376.3875       5.779948  345.2530       11.55990  407.5220       11.55990  185.6958 3.112590  201.7668 2.864668  -16.07098      4.230194  
1 1 1 36 2  7  o 94.45690 2.920547  90.45403       3.835827  71.51315       7.671653  109.3949       7.671653  84.43069 4.543166  104.4831 3.671241  -20.05241      5.841093  
1 1 1 36 2  8  f 56.73729 4.772996  32.59738       3.802472  37.04313       7.604944  28.15163       7.604944  60.65513 6.269003  52.81945 7.198998  7.835674       9.545993  
1 1 1 36 2  9  o 257.5398 2.445682  665.4993       8.896259  626.8932       17.79252  704.1053       17.79252  250.0446 3.557869  265.0349 3.356636  -14.99034      4.891364  
1 1 1 36 2  10 o 207.6985 2.312618  432.6574       6.790127  418.5482       13.58025  446.7665       13.58025  204.3019 3.323575  211.0950 3.216621  -6.793106      4.625235  
1 1 1 36 2  11 o 41.98366 8.137168  18.80746       5.122376  12.89410       10.24475  24.72083       10.24475  35.99733 12.06681  47.96999 10.91999  -11.97266      16.27434  
1 1 1 36 2  12 o 70.85368 4.894282  51.18089       4.884127  45.93462       9.768253  56.42715       9.768253  67.15149 7.273297  74.55586 6.550964  -7.404373      9.788564  
1 1 1 36 2  13 o 36.55125 8.987933  11.80291       6.084907  20.23220       12.16981  3.373621       12.16981  43.22858 13.01505  29.87393 12.39920  13.35464       17.97587  
1 1 1 36 2  14 o 138.9168 4.340546  196.6278       8.524589  202.3029       17.04918  190.9527       17.04918  140.9595 6.047546  136.8742 6.228046  4.085251       8.681092  
1 1 1 36 2  15 o 94.98566 6.428434  94.14690       8.634183  92.46010       17.26837  95.83372       17.26837  94.09773 9.175761  95.87358 9.005800  -1.775848      12.85687  
1 1 1 36 2  16 o 128.4972 4.785403  170.1106       8.696129  170.5394       17.39226  169.6817       17.39226  128.6640 6.758788  128.3303 6.776364  0.3337402      9.570806  
1 1 1 36 2  17 o 25.81362 8.468556  -16.84904      7.962319  -36.09966      15.92464  2.401561       15.92464  20.09032 10.00114  31.53692 13.66905  -11.44660      16.93711  
1 1 1 36 2  18 o 22.91488 7.466599  -7.080793      5.737062  -0.8291104     11.47412  -13.33247      11.47412  25.46823 11.29175  20.36153 9.772245  5.106691       14.93320  
1 1 1 36 3  0  o 151.2765 3.282448  229.2823       9.920734  229.2823       9.920734  229.2823       9.920734  151.2765 3.282448  151.2765 3.282448  0.000000       0.000000  
1 1 1 36 3  1  o 248.1736 1.708957  616.4769       5.994372  640.9881       11.98874  591.9658       11.98874  253.1119 2.368270  243.2353 2.464434  9.876602       3.417914  
1 1 1 36 3  2  o 161.1077 1.609808  261.8797       3.621402  214.0915       7.242803  309.6679       7.242803  146.2766 2.475723  175.9388 2.058330  -29.66228      3.219615  
1 1 1 36 3  3  o 96.67018 1.721825  93.50839       2.353911  92.91754       4.707822  94.09926       4.707822  96.36458 2.442714  96.97578 2.427318  -0.6112061     3.443650  
1 1 1 36 3  4  o 173.2377 1.968600  300.6145       4.817417  283.9751       9.634833  317.2538       9.634833  168.4352 2.860101  178.0402 2.705803  -9.604935      3.937201  
1 1 1 36 3  5  o 251.4500 2.180307  633.0686       7.752658  623.9579       15.50532  642.1793       15.50532  249.6384 3.105555  253.2617 3.061126  -3.623245      4.360615  
1 1 1 36 3  6  o 100.5961 2.735837  101.7042       3.873947  90.40161       7.747893  113.0068       7.747893  94.97827 4.078772  106.2139 3.647307  -11.23561      5.471675  
1 1 1 36 3  7  o 86.27747 3.082932  74.81053       3.750056  81.55777       7.500113  68.06329       7.500113  90.18767 4.158059  82.36727 4.552848  7.820396       6.165864  
1 1 1 36 3  8  o 37.46202 6.618593  14.75721       3.716702  22.10008       7.433403  7.414343       7.433403  46.02276 8.386387  28.90128 10.24166  17.12148       13.23719  
1 1 1 36 3  9  o 137.6599 2.631178  190.0569       5.122376  189.5423       10.24475  190.5715       10.24475  137.4730 3.726097  137.8468 3.715992  -0.3738251     5.262356  
1 1 1 36 3  10 o 100.8266 3.090537  102.8716       4.359977  120.0209       8.719954  85.72238       8.719954  109.3310 3.987870  92.32233 4.722559  17.00864       6.181074  
1 1 1 36 3  11 o 105.0763 3.335190  111.4296       4.936542  100.0936       9.873084  122.7655       9.873084  99.68218 4.952281  110.4705 4.468654  -10.78827      6.670379  
1 1 1 36 3  12 o 58.82511 7.428600  38.37733       5.808537  20.23220       11.61707  56.52245       11.61707  43.26695 12.63950  74.38328 7.808929  -31.11633      14.85720  
1 1 1 36 3  13 o 146.3876 3.282194  216.0785       6.794893  215.5401       13.58979  216.6170       13.58979  146.2037 4.647552  146.5715 4.635888  -0.3678131     6.564388  
1 1 1 36 3  14 o 100.1063 4.852005  103.0861       6.809187  87.78086       13.61837  118.3912       13.61837  92.46188 7.364318  107.7508 6.319384  -15.28893      9.704009  
1 1 1 36 3  15 o 127.8433 3.972095  166.1652       7.180858  168.6048       14.36172  163.7255       14.36172  128.7975 5.575310  126.8891 5.659160  1.908333       7.944191  
1 1 1 36 3  16 o 57.08430 9.274603  37.69116       7.400048  29.38100       14.80010  46.00133       14.80010  50.10816 14.14858  64.06043 11.99545  -13.95227      18.54921  
1 1 1 36 3  17 o 100.9860 4.774681  105.7116       6.813953  110.2431       13.62791  101.1800       13.62791  103.2297 6.600769  98.74240 6.900736  4.487274       9.549362  
1 1 1 36 3  18 o 94.06328 4.809901  93.29398       6.332687  78.62253       12.66537  107.9654       12.66537  86.26456 7.341007  101.8620 6.216929  -15.59742      9.619802  
1 1 1 36 4  0  o 382.0208 4.626566  1461.483       35.33725  1461.483       35.33725  1461.483       35.33725  382.0208 4.626566  382.0208 4.626566  0.000000       0.000000  
1 1 1 36 4  1  o 49.98360 3.458602  25.53088       2.372971  32.56403       4.745942  18.49774       4.745942  57.01905 4.161716  42.94814 5.525200  14.07091       6.917205  
1 1 1 36 4  2  o 139.3328 1.576027  194.3740       3.102016  183.7480       6.204032  204.9999       6.204032  135.5197 2.288979  143.1460 2.167030  -7.626312      3.152054  
1 1 1 36 4  3  o 68.91867 2.385880  48.80315       2.234786  33.37407       4.469572  64.23222       4.469572  57.72498 3.871436  80.11236 2.789565  -22.38737      4.771760  
1 1 1 36 4  4  o 256.6400 1.871177  659.2714       6.790127  645.0192       13.58025  673.5234       13.58025  253.8633 2.674718  259.4166 2.617460  -5.553345      3.742355  
1 1 1 36 4  5  o 132.9776 2.162540  177.3820       4.055017  161.8004       8.110033  192.9635       8.110033  127.1189 3.189940  138.8363 2.920718  -11.71743      4.325079  
1 1 1 36 4  6  o 60.35840 4.042091  36.85729       3.411741  30.55319       6.823483  43.16138       6.823483  55.13618 6.187845  65.58062 5.202363  -10.44444      8.084182  
1 1 1 36 4  7  o 245.4996 2.161151  605.2839       7.471523  669.3589       14.94305  541.2089       14.94305  258.5495 2.889785  232.4497 3.214255  26.09981       4.322301  
1 1 1 36 4  8  o 246.1929 2.427999  607.4282       8.453114  614.5232       16.90623  600.3331       16.90623  247.6338 3.413554  244.7519 3.453748  2.881927       4.855999  
1 1 1 36 4  9  o 151.7438 2.471200  230.9835       5.298682  220.0668       10.59736  241.9001       10.59736  148.1467 3.576644  155.3409 3.411003  -7.194122      4.942400  
1 1 1 36 4  10 o 165.5327 2.320391  274.9501       5.427337  261.8368       10.85467  288.0634       10.85467  161.5717 3.359089  169.4936 3.202090  -7.921875      4.640782  
1 1 1 36 4  11 o 98.78786 3.530731  98.33534       4.931777  100.4939       9.863553  96.17680       9.863553  99.88036 4.937685  97.69534 5.048119  2.185020       7.061461  
1 1 1 36 4  12 o 69.34879 5.947131  49.79427       5.737062  39.71152       11.47412  59.87701       11.47412  62.07920 9.241521  76.61838 7.487841  -14.53917      11.89426  
1 1 1 36 4  13 o 143.9144 3.090566  208.6737       6.289802  206.3722       12.57960  210.9752       12.57960  143.1148 4.394936  144.7140 4.346369  -1.599197      6.181131  
1 1 1 36 4  14 o 184.1323 3.451694  344.0855       8.943909  383.0299       17.88782  305.1412       17.88782  194.7074 4.593513  173.5572 5.153292  21.15022       6.903389  
1 1 1 36 4  15 o 35.39777 10.30585  6.618587       8.424523  1.334201       16.84905  11.90297       16.84905  32.57871 14.08953  38.21683 15.04418  -5.638119      20.61171  
1 1 1 36 4  16 o 130.8767 5.510159  179.3880       10.07321  148.2964       20.14643  210.4797       20.14643  118.9985 8.464991  142.7550 7.056297  -23.75642      11.02032  
1 1 1 36 4  17 o 37.37892 9.302810  13.73750       6.594762  3.983541       13.18952  23.49146       13.18952  30.12648 12.72688  44.63136 13.57187  -14.50487      18.60562  
1 1 1 36 4  18 o 113.8251 4.078525  134.1777       6.556643  141.8732       13.11329  126.4822       13.11329  117.2055 5.594142  110.4447 5.936584  6.760803       8.157049  
1 1 1 36 5  0  o 78.34792 4.637752  62.08797       7.214212  62.08797       7.214212  62.08797       7.214212  78.34792 4.637752  78.34792 4.637752  0.000000       0.000000  
1 1 1 36 5  1  o 383.0410 2.291543  1468.702       12.41283  1483.860       24.82566  1453.545       24.82566  385.0195 3.223948  381.0624 3.257427  3.957153       4.583086  
1 1 1 36 5  2  o 83.67233 1.993857  70.07889       2.358676  71.99918       4.717352  68.15858       4.717352  84.81984 2.780807  82.52483 2.858141  2.295013       3.987714  
1 1 1 36 5  3  o 111.2860 1.719070  125.0622       2.668401  148.8110       5.336802  101.3135       5.336802  121.9562 2.188000  100.6159 2.652067  21.34029       3.438140  
1 1 1 36 5  4  o 270.5984 1.939397  733.0907       7.419108  710.4808       14.83822  755.7007       14.83822  266.4207 2.784734  274.7762 2.700055  -8.355530      3.878793  
1 1 1 36 5  5  o 71.48745 3.476403  53.11071       3.325971  72.64722       6.651943  33.57420       6.651943  85.15174 3.905935  57.82315 5.751972  27.32859       6.952806  
1 1 1 36 5  6  o 168.0453 2.137809  282.7838       5.079492  289.4262       10.15898  276.1414       10.15898  170.0217 2.987555  166.0690 3.058664  3.952744       4.275618  
1 1 1 36 5  7  o 148.5752 2.121909  221.4820       4.445747  202.1981       8.891494  240.7660       8.891494  142.0855 3.128923  155.0648 2.867026  -12.97926      4.243819  
1 1 1 36 5  8  o 101.7490 2.776609  105.3494       3.907302  80.13781       7.814603  130.5611       7.814603  89.35984 4.372548  114.1381 3.423311  -24.77826      5.553218  
1 1 1 36 5  9  o 181.7746 2.133528  331.0580       5.484517  333.3881       10.96903  328.7279       10.96903  182.4155 3.006607  181.1337 3.027884  1.281860       4.267056  
1 1 1 36 5  10 o 72.00907 5.398376  52.76763       5.484517  56.88460       10.96903  48.65067       10.96903  74.86771 7.325611  69.15043 7.931284  5.717285       10.79675  
1 1 1 36 5  11 o 100.6655 3.847102  102.5095       5.455927  92.27902       10.91185  112.7399       10.91185  95.58405 5.707989  105.7469 5.159421  -10.16283      7.694204  
1 1 1 36 5  12 o 101.7150 3.964644  105.5782       5.622702  85.47461       11.24540  125.6817       11.24540  91.83272 6.122766  111.5973 5.038386  -19.76458      7.929287  
1 1 1 36 5  13 o 124.5481 3.466101  156.7209       6.099203  148.8396       12.19841  164.6022       12.19841  121.3842 5.024710  127.7121 4.775744  -6.327911      6.932203  
1 1 1 36 5  14 o 99.05989 6.196203  102.5571       8.567473  120.8786       17.13495  84.23570       17.13495  108.3075 7.910321  89.81223 9.539317  18.49531       12.39241  
1 1 1 36 5  15 o 78.37138 7.733102  65.48065       8.534119  72.05635       17.06824  58.90495       17.06824  82.56660 10.33604  74.17616 11.50520  8.390442       15.46620  
1 1 1 36 5  16 o 53.05436 11.04970  33.29784       9.396584  19.44121       18.79317  47.15446       18.79317  43.08067 16.14838  63.02806 15.08685  -19.94739      22.09939  
1 1 1 36 5  17 o 46.27911 9.397898  24.39681       7.352398  40.67405       14.70480  8.119563       14.70480  58.99339 12.82161  33.56484 13.74366  25.42855       18.79580  
1 1 1 36 5  18 o 57.68143 7.313865  37.54822       5.803772  32.73557       11.60754  42.36086       11.60754  53.03427 11.28118  62.32858 9.311576  -9.294308      14.62773  
1 1 1 36 6  0  o 96.48703 4.080136  93.67042       7.843193  93.67042       7.843193  93.67042       7.843193  96.48703 4.080136  96.48703 4.080136  0.000000       0.000000  
1 1 1 36 6  1  o 190.3898 1.707269  363.3695       4.583931  394.7709       9.167863  331.9682       9.167863  198.6364 2.307700  182.1432 2.516664  16.49321       3.414538  
1 1 1 36 6  2  o 300.4152 1.906674  903.1776       8.100503  900.5283       16.20101  905.8268       16.20101  299.9743 2.700399  300.8561 2.692484  -0.8818665     3.813348  
1 1 1 36 6  3  o 128.4425 1.624619  165.1311       2.949536  171.2160       5.899073  159.0462       5.899073  130.8113 2.254803  126.0738 2.339531  4.737450       3.249237  
1 1 1 36 6  4  o 205.5624 1.653003  423.2656       4.798357  396.7817       9.596713  449.7495       9.596713  199.1206 2.409774  212.0042 2.263331  -12.88364      3.306006  
1 1 1 36 6  5  o 142.2767 2.116649  202.9224       4.250381  217.7129       8.500763  188.1318       8.500763  147.4745 2.882113  137.0789 3.100684  10.39563       4.233298  
1 1 1 36 6  6  o 215.2893 2.108375  465.4978       6.389868  414.2311       12.77974  516.7645       12.77974  203.3829 3.141793  227.1958 2.812494  -23.81293      4.216751  
1 1 1 36 6  7  o 187.3689 2.087353  353.1295       5.494047  306.1704       10.98809  400.0886       10.98809  174.8377 3.142370  199.9001 2.748396  -25.06238      4.174706  
1 1 1 36 6  8  o 24.93380 6.804125  -1.200780      4.169377  -13.05611      8.338754  10.65454       8.338754  16.90383 8.164950  32.96378 10.88660  -16.05995      13.60825  
1 1 1 36 6  9  o 44.84296 7.376141  21.39009       4.598227  23.03402       9.196454  19.74617       9.196454  46.60820 10.14815  43.07772 10.70724  3.530479       14.75228  
1 1 1 36 6  10 o 62.49932 5.767160  39.96884       5.065197  45.04833       10.13039  34.88935       10.13039  66.56296 7.609634  58.43568 8.667988  8.127281       11.53432  
1 1 1 36 6  11 o 36.98203 9.188855  12.24605       6.208797  18.93612       12.41759  5.555993       12.41759  42.29747 13.23141  31.66659 12.75421  10.63088       18.37771  
1 1 1 36 6  12 o 113.0867 3.926386  129.3889       6.275507  124.1759       12.55101  134.6018       12.55101  110.7819 5.664743  115.3915 5.438448  -4.609665      7.852772  
1 1 1 36 6  13 f 44.09046 9.412209  20.93265       6.575703  13.97099       13.15141  27.89432       13.15141  38.04117 13.60836  50.13975 13.00659  -12.09858      18.82442  
1 1 1 36 6  14 o 158.5072 3.424598  254.2129       7.671653  243.7108       15.34331  264.7149       15.34331  155.1944 4.943254  161.8200 4.740856  -6.625610      6.849195  
1 1 1 36 6  15 o 68.32122 8.286439  53.38708       7.419108  28.35176       14.83822  78.42240       14.83822  49.78231 14.20226  86.86012 8.541443  -37.07781      16.57288  
1 1 1 36 6  16 o 55.07000 8.226320  34.04594       6.204032  35.73751       12.40806  32.35436       12.40806  56.60671 11.36012  53.53329 11.90113  3.073414       16.45264  
1 1 1 36 6  17 o 87.40473 6.358001  82.16769       7.771719  68.98770       15.54344  95.34769       15.54344  79.86510 9.731057  94.94437 8.185550  -15.07927      12.71600  
1 1 1 36 6  18 o 55.58946 7.896044  35.80423       5.989607  32.84040       11.97921  38.76805       11.97921  52.90984 11.63558  58.26909 10.67724  -5.359257      15.79209  
1 1 1 36 7  0  o 17.87147 10.48140  3.888242       6.184973  3.888242       6.184973  3.888242       6.184973  17.87147 10.48140  17.87147 10.48140  0.000000       0.000000  
1 1 1 36 7  1  o 106.1396 1.931845  113.0592       2.887591  101.1229       5.775182  124.9955       5.775182  100.5167 2.872747  111.7626 2.583683  -11.24587      3.863690  
1 1 1 36 7  2  o 96.39590 1.876094  93.07954       2.554041  98.72131       5.108082  87.43779       5.108082  99.32227 2.571469  93.46955 2.732484  5.852715       3.752189  
1 1 1 36 7  3  o 127.7945 1.630613  163.5015       2.944771  156.1872       5.889543  170.8158       5.889543  124.9328 2.357084  130.6563 2.253831  -5.723457      3.261227  
1 1 1 36 7  4  o 224.5482 1.865537  504.7376       5.922898  516.8597       11.84580  492.6154       11.84580  227.2474 2.606366  221.8489 2.669789  5.398468       3.731074  
1 1 1 36 7  5  o 47.45189 4.587620  22.63853       3.078191  23.07214       6.156383  22.20491       6.156383  47.90879 6.425107  46.99500 6.550041  0.9137955      9.175241  
1 1 1 36 7  6  o 68.37410 3.681341  47.14970       3.535631  40.86465       7.071262  53.43473       7.071262  63.77804 5.543650  72.97017 4.845311  -9.192131      7.362682  
1 1 1 36 7  7  o 108.1708 2.833787  117.3858       4.331387  111.8441       8.662774  122.9275       8.662774  105.6093 4.101332  110.7324 3.911582  -5.123100      5.667574  
1 1 1 36 7  8  o 201.3922 2.143303  406.3593       6.103968  400.9558       12.20794  411.7629       12.20794  200.0506 3.051212  202.7337 3.010830  -2.683090      4.286606  
1 1 1 36 7  9  o 104.5827 3.108254  109.8905       4.593462  104.8110       9.186924  114.9700       9.186924  102.1543 4.496594  107.0112 4.292508  -4.856903      6.216509  
1 1 1 36 7  10 o 83.34221 4.325999  71.04140       5.008017  55.85535       10.01603  86.22747       10.01603  74.23154 6.746481  92.45287 5.416832  -18.22134      8.651999  
1 1 1 36 7  11 o 53.12254 9.041963  30.90104       6.728183  27.66560       13.45637  34.13647       13.45637  50.23480 13.21506  56.01028 12.34466  -5.775486      18.08393  
1 1 1 36 7  12 f 179.8974 3.079267  326.2025       7.824133  307.3807       15.64827  345.0243       15.64827  174.6662 4.479479  185.1286 4.226322  -10.46249      6.158533  
1 1 1 36 7  13 o 133.0339 3.861972  179.3594       7.261863  186.1305       14.52373  172.5884       14.52373  135.5788 5.356195  130.4890 5.565114  5.089737       7.723944  
1 1 1 36 7  14 o 167.9156 3.838619  286.5720       9.086859  260.7409       18.17372  312.4031       18.17372  160.2240 5.671348  175.6073 5.174533  -15.38335      7.677238  
1 1 1 36 7  15 o 137.6460 4.792885  195.0077       9.272695  219.2568       18.54539  170.7586       18.54539  146.4545 6.331451  128.8375 7.197203  17.61700       9.585771  
1 1 1 36 7  16 o 31.29345 8.714676  5.060432       6.156383  14.73339       12.31277  -4.612522      12.31277  37.43478 13.18970  25.15213 11.39360  12.28265       17.42935  
1 1 1 36 7  17 o 52.89744 6.762064  31.16788       4.855536  22.79577       9.711073  39.53998       9.711073  44.60480 10.95149  61.19007 7.935171  -16.58527      13.52413  
1 1 1 36 7  18 o 56.44386 7.449919  39.08731       6.485168  5.317742       12.97034  72.85688       12.97034  30.14388 12.67188  82.74385 7.837644  -52.59997      14.89984  
1 1 1 36 8  0  o 157.7329 3.005238  249.1906       9.472824  249.1906       9.472824  249.1906       9.472824  157.7329 3.005238  157.7329 3.005238  0.000000       0.000000  
1 1 1 36 8  1  o 206.8714 1.699403  428.8883       4.960367  462.3863       9.920734  395.3904       9.920734  214.9677 2.307494  198.7751 2.495467  16.19266       3.398807  
1 1 1 36 8  2  o 223.0995 1.724744  498.3811       5.436867  474.0415       10.87373  522.7207       10.87373  217.6446 2.498049  228.5543 2.378807  -10.90977      3.449489  
1 1 1 36 8  3  o 279.8200 1.914556  783.7189       7.576353  786.1776       15.15271  781.2603       15.15271  280.2593 2.703336  279.3807 2.711839  0.8786621      3.829112  
1 1 1 36 8  4  o 109.8098 1.837002  121.0453       2.839941  107.8320       5.679882  134.2587       5.679882  103.7934 2.736148  115.8263 2.451896  -12.03294      3.674004  
1 1 1 36 8  5  o 123.2922 2.131933  152.3371       3.711936  161.7432       7.423873  142.9310       7.423873  127.1068 2.920329  119.4777 3.106804  7.629135       4.263865  
1 1 1 36 8  6  o 168.9104 1.950995  285.6571       4.660172  289.2356       9.320344  282.0786       9.320344  169.9697 2.741766  167.8511 2.776373  2.118591       3.901990  
1 1 1 36 8  7  o 216.4429 2.201807  469.3480       6.737713  456.3633       13.47543  482.3326       13.47543  213.4434 3.156675  219.4425 3.070378  -5.999100      4.403614  
1 1 1 36 8  8  o 139.1975 2.512438  194.3882       4.941307  203.9897       9.882613  184.7868       9.882613  142.6464 3.464025  135.7486 3.640041  6.897751       5.024875  
1 1 1 36 8  9  o 188.1231 2.271766  354.8068       6.042023  344.4906       12.08405  365.1230       12.08405  185.3813 3.259242  190.8650 3.165600  -5.483749      4.543532  
1 1 1 36 8  10 o 114.3974 2.859527  131.5951       4.622052  125.1861       9.244103  138.0040       9.244103  111.5963 4.141763  117.1986 3.943778  -5.602333      5.719054  
1 1 1 36 8  11 o 193.4528 2.712483  376.8402       7.400048  344.4239       14.80010  409.2564       14.80010  185.0744 3.998418  201.8311 3.666456  -16.75670      5.424965  
1 1 1 36 8  12 o 66.15965 7.274279  46.85426       6.456578  34.94653       12.91316  58.76200       12.91316  56.70029 11.77956  75.61902 8.538299  -18.91872      14.54856  
1 1 1 36 8  13 f 135.2601 4.202364  185.9590       8.038558  185.7493       16.07712  186.1686       16.07712  135.1826 5.946444  135.3376 5.939634  -0.1549988     8.404728  
1 1 1 36 8  14 o 132.8321 3.848045  179.5405       7.195153  199.1771       14.39031  159.9039       14.39031  140.2236 5.131199  125.4406 5.735904  14.78301       7.696090  
1 1 1 36 8  15 o 43.36664 8.498363  21.00413       5.479752  25.64524       10.95950  16.36302       10.95950  47.93841 11.55036  38.79487 12.46908  9.143539       16.99673  
1 1 1 36 8  16 o 34.53081 9.764324  9.367994       7.204682  9.282224       14.40936  9.453763       14.40936  34.47658 13.79988  34.58504 13.81779  -0.1084633     19.52865  
1 1 1 36 8  17 o 100.5091 4.112853  104.1915       5.837128  110.6433       11.67426  97.73972       11.67426  103.7187 5.627846  97.29954 5.999132  6.419136       8.225705  
1 1 1 36 8  18 o 57.04610 7.940128  37.58157       6.270743  31.87786       12.54149  43.28528       12.54149  51.57335 12.31172  62.51886 10.03016  -10.94552      15.88026  
1 1 1 36 9  0  o 405.9642 4.675261  1650.854       37.94848  1650.854       37.94848  1650.854       37.94848  405.9642 4.675261  405.9642 4.675261  0.000000       0.000000  
1 1 1 36 9  1  o 34.42345 5.158911  12.58437       2.606456  20.51810       5.212912  4.650642       5.212912  45.20662 5.765651  23.64028 8.556560  21.56635       10.31782  
1 1 1 36 9  2  o 120.6804 1.847612  146.1664       3.140136  130.7993       6.280273  161.5336       6.280273  114.3136 2.746950  127.0473 2.471628  -12.73374      3.695224  
1 1 1 36 9  3  o 122.1737 1.743077  150.1738       2.987656  171.9784       5.975312  128.3691       5.975312  131.0973 2.278961  113.2501 2.638106  17.84725       3.486153  
1 1 1 36 9  4  o 97.27870 2.079869  94.99509       2.849471  85.03622       5.698943  104.9539       5.698943  92.15998 3.091875  102.3974 2.782757  -10.23745      4.159739  
1 1 1 36 9  5  o 93.98843 2.421661  89.49151       3.163961  70.58874       6.327922  108.3943       6.327922  83.93253 3.769649  104.0443 3.040975  -20.11179      4.843323  
1 1 1 36 9  6  o 261.7693 2.037030  686.3080       7.538233  664.7178       15.07647  707.8982       15.07647  257.6454 2.925817  265.8932 2.835060  -8.247772      4.074060  
1 1 1 36 9  7  o 153.3835 2.170520  235.6817       4.707822  239.2412       9.415645  232.1223       9.415645  154.5438 3.046270  152.2232 3.092710  2.320618       4.341039  
1 1 1 36 9  8  o 58.63464 4.918095  35.19907       3.993072  43.34246       7.986144  27.05568       7.986144  65.57883 6.088965  51.69046 7.724968  13.88836       9.836189  
1 1 1 36 9  9  o 99.33512 3.250047  99.26451       4.560107  104.9063       9.120214  93.62276       9.120214  102.1749 4.463041  96.49536 4.725727  5.679520       6.500094  
1 1 1 36 9  10 o 49.37755 6.842326  25.80725       4.660172  19.85100       9.320344  31.76350       9.320344  42.97772 10.83811  55.77739 8.354949  -12.79967      13.68465  
1 1 1 36 9  11 f 75.33244 4.889282  58.30457       5.122376  46.32535       10.24475  70.28378       10.24475  67.38154 7.602048  83.28334 6.150542  -15.90180      9.778564  
1 1 1 36 9  12 o 31.24158 8.370942  6.742477       5.327272  0.7624003      10.65454  12.72255       10.65454  26.64148 11.35389  35.84169 12.30366  -9.200209      16.74188  
1 1 1 36 9  13 o 99.34222 4.692831  100.8513       6.589998  104.2964       13.18000  97.40617       13.18000  101.0762 6.519833  97.60827 6.751475  3.467911       9.385662  
1 1 1 36 9  14 o 73.50989 4.858598  55.31691       5.050902  55.09295       10.10180  55.54086       10.10180  73.35756 6.885320  73.66222 6.856842  -0.3046570     9.717196  
1 1 1 36 9  15 o 81.89055 5.118424  69.18783       5.927662  68.97816       11.85532  69.39749       11.85532  81.76254 7.249852  82.01855 7.227221  -0.2560196     10.23685  
1 1 1 36 9  16 o 93.11546 5.530902  91.14020       7.223743  78.30804       14.44749  103.9723       14.44749  86.22501 8.377782  100.0059 7.223316  -13.78091      11.06180  
1 1 1 36 9  17 f 82.31120 5.269498  71.20819       6.123027  75.88742       12.24605  66.52895       12.24605  85.15361 7.190567  79.46880 7.704945  5.684807       10.53900  
1 1 1 36 9  18 o 29.04533 12.48413  3.573751       13.07517  3.573751       13.07517  ?              ?         29.04533 12.48413  ?        ?         ?              ?         
1 1 1 36 10 0  o 111.0014 4.501962  123.9758       9.958854  123.9758       9.958854  123.9758       9.958854  111.0014 4.501962  111.0014 4.501962  0.000000       0.000000  
1 1 1 36 10 1  o 304.4424 1.996214  928.7084       8.581769  987.2703       17.16354  870.1465       17.16354  314.0602 2.732523  294.8245 2.910806  19.23578       3.992427  
1 1 1 36 10 2  o 32.46038 4.885303  10.69743       2.620751  -0.8577003E-01 5.241503  21.48063       5.241503  18.66788 7.959877  46.25287 5.666137  -27.58499      9.770606  
1 1 1 36 10 3  o 144.9637 1.780962  210.3558       3.649991  204.2566       7.299983  216.4550       7.299983  142.8600 2.554942  147.0674 2.481849  -4.207397      3.561924  
1 1 1 36 10 4  o 292.4835 1.962819  856.9475       8.110033  903.0917       16.22007  810.8032       16.22007  300.3718 2.699998  284.5951 2.849674  15.77670       3.925637  
1 1 1 36 10 5  o 173.0858 1.815649  300.2523       4.436216  321.1897       8.872433  279.3149       8.872433  179.1341 2.476479  167.0375 2.655821  12.09656       3.631299  
1 1 1 36 10 6  o 83.42202 3.150567  70.11700       3.692876  60.96344       7.385753  79.27057       7.385753  77.93571 4.738362  88.90833 4.153578  -10.97261      6.301134  
1 1 1 36 10 7  o 65.59155 3.761199  43.26621       3.487981  42.12262       6.975962  44.40982       6.975962  64.71979 5.389358  66.46330 5.247981  -1.743515      7.522398  
1 1 1 36 10 8  o 99.98067 2.436743  100.2175       3.445096  98.66414       6.890193  101.7709       6.890193  99.20382 3.472746  100.7575 3.419196  -1.553696      4.873486  
1 1 1 36 10 9  o 312.7009 2.210058  980.7278       9.768253  943.9088       19.53651  1017.547       19.53651  306.8136 3.183774  318.5882 3.066107  -11.77457      4.420117  
1 1 1 36 10 10 o 51.45374 5.762657  27.95150       3.969247  20.14643       7.938493  35.75658       7.938493  43.50587 9.390583  59.40161 6.682052  -15.89574      11.52531  
1 1 1 36 10 11 o 57.92266 5.252446  34.36520       4.269442  29.55254       8.538883  39.17785       8.538883  53.76829 7.940446  62.07704 6.877651  -8.308750      10.50489  
1 1 1 36 10 12 f 63.12466 4.564440  40.71694       4.035956  47.07822       8.071913  34.35566       8.071913  68.16333 5.921009  58.08600 6.948243  10.07733       9.128880  
1 1 1 36 10 13 f 88.43336 3.852902  80.02821       4.755473  65.37582       9.510944  94.68059       9.510944  80.14894 5.933294  96.71778 4.916854  -16.56884      7.705805  
1 1 1 36 10 14 o 78.98372 5.012662  65.52354       5.379687  85.84627       10.75937  45.20081       10.75937  91.84885 5.857109  66.11858 8.136424  25.73028       10.02532  
1 1 1 36 10 15 o 67.69865 5.627333  47.80727       5.360627  42.50382       10.72125  53.11071       10.72125  63.78170 8.404648  71.61560 7.485279  -7.833904      11.25467  
1 1 1 36 10 16 o 51.26952 7.898001  29.65261       5.708472  22.42410       11.41694  36.88111       11.41694  43.97524 12.42985  58.56380 9.747442  -14.58856      15.79600  
1 1 1 36 10 17 o 51.94347 8.511862  31.77303       6.208797  39.58764       12.41759  23.95843       12.41759  59.09167 10.91762  44.79527 13.06188  14.29639       17.02372  
1 1 1 36 10 18 o 37.06631 13.70591  16.17241       13.44684  16.17241       13.44684  ?              ?         37.06631 13.70591  ?        ?         ?              ?         
1 1 1 36 11 0  o 294.7988 4.162363  870.5373       24.53023  870.5373       24.53023  870.5373       24.53023  294.7988 4.162363  294.7988 4.162363  0.000000       0.000000  
1 1 1 36 11 1  o 231.8557 1.749745  538.0021       5.737062  543.6677       11.47412  532.3365       11.47412  233.0775 2.461440  230.6339 2.487519  2.443573       3.499491  
1 1 1 36 11 2  o 262.7750 1.821262  691.5305       6.761538  656.2169       13.52308  726.8439       13.52308  256.0556 2.640652  269.4943 2.508972  -13.43866      3.642524  
1 1 1 36 11 3  o 266.8286 1.804495  712.5727       6.809187  717.4758       13.61837  707.6696       13.61837  267.7474 2.543139  265.9098 2.560714  1.837585       3.608990  
1 1 1 36 11 4  o 79.63436 2.616367  63.77002       2.930476  71.42738       5.860952  56.11266       5.860952  84.44218 3.470394  74.82654 3.916359  9.615646       5.232734  
1 1 1 36 11 5  o 59.84432 3.530619  36.64287       2.901886  26.65542       5.803772  46.63031       5.803772  51.49980 5.634752  68.18884 4.255661  -16.68904      7.061238  
1 1 1 36 11 6  o 111.1723 2.160995  123.7947       3.397446  124.8812       6.794893  122.7083       6.794893  111.6609 3.042647  110.6836 3.069511  0.9772415      4.321990  
1 1 1 36 11 7  o 82.56238 3.214046  68.65891       3.735762  61.16356       7.471523  76.15426       7.471523  78.02317 4.788016  87.10159 4.288971  -9.078415      6.428092  
1 1 1 36 11 8  o 134.5094 2.383127  181.4179       4.531517  187.2836       9.063033  175.5522       9.063033  136.6898 3.315184  132.3289 3.424433  4.360825       4.766255  
1 1 1 36 11 9  o 32.29749 6.176888  9.448999       3.564222  20.32750       7.128443  -1.429500      7.128443  43.94258 8.411044  20.65240 9.048211  23.29018       12.35378  
1 1 1 36 11 10 o 77.09902 4.104976  60.41070       4.436216  51.26189       8.872433  69.55950       8.872433  71.16587 6.233630  83.03217 5.342769  -11.86630      8.209952  
1 1 1 36 11 11 o 131.3501 2.612864  173.4413       4.850772  180.2219       9.701544  166.6607       9.701544  133.9313 3.621837  128.7690 3.767033  5.162231       5.225729  
1 1 1 36 11 12 f 65.76675 5.208840  44.21445       4.836477  41.31257       9.672954  47.11634       9.672954  63.56055 7.609243  67.97294 7.115297  -4.412388      10.41768  
1 1 1 36 11 13 o 29.52613 7.023453  1.958415       4.707822  -14.87634      9.415645  18.79317       9.415645  17.68465 8.565145  41.36761 11.13346  -23.68297      14.04691  
1 1 1 36 11 14 o 73.31924 5.683994  56.70829       5.689413  40.25474       11.37883  73.16184       11.37883  62.09875 9.161880  84.53973 6.729868  -22.44098      11.36799  
1 1 1 36 11 15 o 98.34567 4.561216  99.45988       6.332687  92.84130       12.66537  106.0785       12.66537  94.98071 6.667340  101.7106 6.226181  -6.729912      9.122432  
1 1 1 36 11 16 o 27.09888 8.426374  -2.063246      6.432753  -8.929614      12.86551  4.803122       12.86551  23.79732 11.08812  30.40043 12.69129  -6.603117      16.85275  
1 1 1 36 11 17 o 86.50748 5.438381  80.58096       6.427987  57.94242       12.85597  103.2195       12.85597  73.42275 8.754762  99.59219 6.454308  -26.16944      10.87676  
1 1 1 36 11 18 o 32.07684 13.28226  9.396584       13.91381  9.396584       13.91381  ?              ?         32.07684 13.28226  ?        ?         ?              ?         
1 1 1 36 12 0  f 196.1915 3.504756  385.5744       13.74226  385.5744       13.74226  385.5744       13.74226  196.1915 3.504756  196.1915 3.504756  0.000000       0.000000  
1 1 1 36 12 1  o 191.8967 1.600183  368.8445       4.336152  392.0644       8.672303  345.6246       8.672303  197.9468 2.190564  185.8466 2.333189  12.10017       3.200366  
1 1 1 36 12 2  o 126.6758 1.824895  160.6187       3.268791  157.5500       6.537583  163.6873       6.537583  125.4646 2.605349  127.8871 2.555999  -2.422447      3.649791  
1 1 1 36 12 3  o 45.84425 4.246896  21.21379       2.735111  24.01561       5.470222  18.41197       5.470222  48.90005 5.593268  42.78845 6.392172  6.111607       8.493793  
1 1 1 36 12 4  o 220.5980 1.754546  487.3025       5.470222  507.3488       10.94044  467.2561       10.94044  225.1416 2.429681  216.0544 2.531873  9.087280       3.509093  
1 1 1 36 12 5  f 267.0438 1.972308  714.0832       7.447698  726.6151       14.89540  701.5512       14.89540  269.3903 2.764650  264.6974 2.813665  4.692841       3.944617  
1 1 1 36 12 6  o 54.55107 4.412685  30.59131       3.297381  21.92854       6.594762  39.25409       6.594762  46.61101 7.074254  62.49113 5.276559  -15.88012      8.825370  
1 1 1 36 12 7  o 79.50245 2.860840  63.42694       3.216377  64.16551       6.432753  62.68836       6.432753  79.96695 4.022132  79.03795 4.069407  0.9290009      5.721680  
1 1 1 36 12 8  o 106.2897 2.815826  114.5983       4.164612  138.0612       8.329224  91.13543       8.329224  117.3269 3.549580  95.25244 4.372184  22.07446       5.631652  
1 1 1 36 12 9  o 25.94780 7.360511  2.620751       4.278972  7.223743       8.557944  -1.982241      8.557944  29.49850 10.92879  22.39711 9.862554  7.101389       14.72102  
1 1 1 36 12 10 o 104.5778 3.118352  111.1151       4.545812  89.67733       9.091624  132.5528       9.091624  94.32808 4.819150  114.8274 3.958821  -20.49934      6.236704  
1 1 1 36 12 11 f 162.6265 2.368571  265.7680       5.441632  251.6588       10.88326  279.8772       10.88326  158.2886 3.437791  166.9644 3.259156  -8.675797      4.737141  
1 1 1 36 12 12 o 73.23366 4.411554  54.60692       4.555342  59.39098       9.110683  49.82286       9.110683  76.49995 5.954699  69.96735 6.510668  6.532600       8.823108  
1 1 1 36 12 13 o 45.12708 7.306499  22.30974       4.598227  17.48756       9.196454  27.13192       9.196454  39.98810 11.10851  50.26605 9.494244  -10.27795      14.61300  
1 1 1 36 12 14 o 47.97955 8.292295  25.67860       5.641763  20.07019       11.28353  31.28700       11.28353  42.53601 12.46660  53.42310 10.93767  -10.88710      16.58459  
1 1 1 36 12 15 o 64.77650 7.397715  47.47371       6.218328  27.42735       12.43666  67.52008       12.43666  48.95039 12.62484  80.60262 7.714796  -31.65223      14.79543  
1 1 1 36 12 16 o 48.71808 9.161554  27.81332       6.466108  31.68726       12.93222  23.93937       12.93222  52.25503 12.51954  45.18113 13.37899  7.073902       18.32311  
1 1 1 36 12 17 o 42.42586 8.250171  20.37515       5.970548  4.907952       11.94110  35.84235       11.94110  29.13773 12.19952  55.71399 11.11003  -26.57626      16.50034  
1 1 1 36 12 18 o 29.98021 12.98302  6.909253       14.34266  6.909253       14.34266  ?              ?         29.98021 12.98302  ?        ?         ?              ?         
1 1 1 36 13 0  o 84.15974 5.175764  71.75140       8.643713  71.75140       8.643713  71.75140       8.643713  84.15974 5.175764  84.15974 5.175764  0.000000       0.000000  
1 1 1 36 13 1  o 70.99300 3.092024  51.32860       3.030541  64.07975       6.061082  38.57745       6.061082  79.97356 3.789429  62.01243 4.886990  17.96113       6.184048  
1 1 1 36 13 2  o 283.8792 1.919830  807.8726       7.690712  869.2411       15.38142  746.5043       15.38142  294.6880 2.609781  273.0703 2.816386  21.61780       3.839660  
1 1 1 36 13 3  o 104.8244 2.194744  110.5576       3.230671  95.48111       6.461343  125.6340       6.461343  97.63306 3.308993  112.0157 2.884125  -14.38261      4.389489  
1 1 1 36 13 4  o 120.5631 2.269861  145.6185       3.869182  141.8446       7.738363  149.3923       7.738363  118.9980 3.251467  122.1282 3.168130  -3.130203      4.539723  
1 1 1 36 13 5  o 159.8973 2.005984  256.5573       4.521987  279.8676       9.043974  233.2469       9.043974  167.1865 2.704756  152.6082 2.963136  14.57834       4.011967  
1 1 1 36 13 6  o 138.1785 2.019766  191.4483       3.940656  179.0402       7.881313  203.8563       7.881313  133.6887 2.947637  142.6684 2.762109  -8.979721      4.039531  
1 1 1 36 13 7  o 198.1141 1.908612  393.1508       5.346332  383.8114       10.69266  402.4901       10.69266  195.7570 2.731106  200.4712 2.666883  -4.714157      3.817225  
1 1 1 36 13 8  o 202.2791 1.855837  410.1904       5.303447  431.6424       10.60689  388.7384       10.60689  207.5817 2.554873  196.9766 2.692426  10.60513       3.711675  
1 1 1 36 13 9  o 173.9751 2.241844  304.5456       5.489282  270.2519       10.97856  338.8393       10.97856  164.1191 3.344694  183.8310 2.986048  -19.71187      4.483688  
1 1 1 36 13 10 o 84.81569 3.778221  73.50015       4.450512  89.29613       8.901024  57.70417       8.901024  94.12764 4.728167  75.50375 5.894425  18.62389       7.556442  
1 1 1 36 13 11 o 236.3188 2.242758  560.8312       7.490582  537.6733       14.98116  583.9891       14.98116  231.4191 3.236805  241.2185 3.105310  -9.799438      4.485517  
1 1 1 36 13 12 o 60.44524 5.476776  37.78646       4.631582  43.97144       9.263164  31.60149       9.263164  65.56141 7.064494  55.32906 8.370975  10.23235       10.95355  
1 1 1 36 13 13 o 26.95501 7.856256  0.8624652      5.189087  -6.899723      10.37817  8.624654       10.37817  22.07603 10.15867  31.83399 11.98684  -9.757961      15.71251  
1 1 1 36 13 14 o 98.63986 4.167756  99.15969       5.813303  100.8084       11.62661  97.51101       11.62661  99.47558 5.843949  97.80415 5.943820  1.671425       8.335511  
1 1 1 36 13 15 o 113.6653 3.643125  131.4664       5.856187  130.9899       11.71237  131.9429       11.71237  113.4557 5.161649  113.8749 5.142648  -0.4191971     7.286250  
1 1 1 36 13 16 o 76.03523 5.958222  61.52094       6.351747  70.29330       12.70349  52.74857       12.70349  81.80385 7.764608  70.26661 9.039497  11.53724       11.91644  
1 1 1 36 13 17 o 44.24036 9.265924  23.86313       6.218328  25.34028       12.43666  22.38598       12.43666  45.60054 13.00001  42.88018 13.20716  2.720367       18.53185  
1 1 1 36 14 0  o 56.49446 7.542941  32.73557       8.443583  32.73557       8.443583  32.73557       8.443583  56.49446 7.542941  56.49446 7.542941  0.000000       0.000000  
1 1 1 36 14 1  o 109.0364 2.142414  119.0869       3.302146  114.9890       6.604293  123.1848       6.604293  107.1572 3.081590  110.9155 2.977173  -3.758293      4.284828  
1 1 1 36 14 2  o 210.2943 1.837826  442.7115       5.465457  447.6624       10.93091  437.7607       10.93091  211.4714 2.584490  209.1172 2.613586  2.354233       3.675653  
1 1 1 36 14 3  o 328.1888 2.209450  1078.782       10.25428  1089.985       20.50857  1067.580       20.50857  329.8955 3.108344  326.4820 3.140842  3.413452       4.418901  
1 1 1 36 14 4  o 250.2545 1.801450  626.9551       6.375573  627.0934       12.75115  626.8169       12.75115  250.2821 2.547354  250.2269 2.547917  0.5520630E-01  3.602901  
1 1 1 36 14 5  o 105.1633 2.395812  111.1056       3.549927  122.1079       7.099854  100.1032       7.099854  110.3944 3.215676  99.93220 3.552335  10.46220       4.791624  
1 1 1 36 14 6  o 133.9823 2.224011  181.8325       4.145552  219.3235       8.291104  144.3414       8.291104  147.9733 2.801554  119.9912 3.454879  27.98209       4.448021  
1 1 1 36 14 7  f 130.1170 2.198554  169.6722       4.045487  168.0235       8.090974  171.3209       8.090974  129.4835 3.124326  130.7506 3.094049  -1.267075      4.397107  
1 1 1 36 14 8  o 120.1491 2.393664  145.8043       4.026426  169.4625       8.052853  122.1461       8.052853  129.9945 3.097382  110.3038 3.650307  19.69073       4.787329  
1 1 1 36 14 9  f 72.31742 3.995831  54.07801       3.935891  70.59827       7.871783  37.55774       7.871783  83.73946 4.700163  60.89537 6.463367  22.84409       7.991661  
1 1 1 36 14 10 o 92.83530 3.532937  87.31390       4.607757  98.75943       9.215513  75.86835       9.215513  98.99973 4.654312  86.67087 5.316385  12.32887       7.065874  
1 1 1 36 14 11 o 43.31998 6.294484  18.92182       4.798357  42.03685       9.596713  -4.193202      9.596713  64.16202 7.478500  22.47794 10.12690  41.68407       12.58897  
1 1 1 36 14 12 o 165.3230 2.671992  275.2694       6.246917  272.4342       12.49383  278.1046       12.49383  164.4655 3.798316  166.1804 3.759118  -1.714935      5.343985  
1 1 1 36 14 13 o 131.2292 3.205216  174.1942       5.937192  186.4259       11.87438  161.9624       11.87438  135.8897 4.369126  126.5688 4.690882  9.320900       6.410431  
1 1 1 36 14 14 o 31.43294 8.080542  6.866367       5.217677  -2.868531      10.43535  16.60127       10.43535  23.97450 10.68802  38.89138 12.12216  -14.91688      16.16108  
1 1 1 36 14 15 o 48.04939 7.966787  25.94067       5.670352  36.95736       11.34070  14.92399       11.34070  58.89577 9.627775  37.20300 12.69586  21.69277       15.93357  
1 1 1 36 14 16 o 72.65275 5.968605  56.17460       6.127792  53.77781       12.25558  58.57140       12.25558  71.00327 8.630298  74.30223 8.247118  -3.298965      11.93721  
1 1 1 36 14 17 o 34.72252 13.44326  12.15075       13.32295  12.15075       13.32295  ?              ?         34.72252 13.44326  ?        ?         ?              ?         
1 1 1 36 15 0  o 15.53452 10.33099  -1.543861      8.205333  -1.543861      8.205333  -1.543861      8.205333  15.53452 10.33099  15.53452 10.33099  0.000000       0.000000  
1 1 1 36 15 1  o 191.1221 1.701487  365.6472       4.598227  358.3948       9.196454  372.8995       9.196454  189.2248 2.430034  193.0194 2.382262  -3.794586      3.402974  
1 1 1 36 15 2  o 215.1532 1.787393  463.7491       5.432102  489.7755       10.86420  437.7226       10.86420  221.2016 2.455725  209.1049 2.597789  12.09669       3.574785  
1 1 1 36 15 3  o 145.3487 1.942582  212.1998       3.974012  236.0487       7.948023  188.3510       7.948023  153.5527 2.588043  137.1447 2.897677  16.40800       3.885164  
1 1 1 36 15 4  o 147.6322 1.849551  219.5522       3.826297  253.6220       7.652593  185.4825       7.652593  159.1709 2.403892  136.0934 2.811522  23.07747       3.699102  
1 1 1 36 15 5  o 52.05336 5.224476  30.43883       3.306911  47.94545       6.613823  12.93222       6.613823  69.07957 4.787105  35.02714 9.287853  34.05244       10.44895  
1 1 1 36 15 6  o 134.3650 2.241170  181.1558       4.250381  194.1833       8.500763  168.1283       8.500763  139.2128 3.053154  129.5172 3.281712  9.695602       4.482341  
1 1 1 36 15 7  o 174.9702 1.904784  306.7375       4.712587  312.8700       9.425174  300.6049       9.425174  176.7227 2.666657  173.2177 2.720615  3.504929       3.809567  
1 1 1 36 15 8  o 87.67149 3.231218  78.60348       3.907302  98.42589       7.814603  58.78106       7.814603  98.97642 3.947710  76.36655 5.116509  22.60986       6.462436  
1 1 1 36 15 9  o 107.9750 2.897065  117.3620       4.417156  109.9762       8.834313  124.7477       8.834313  104.5549 4.224725  111.3951 3.965305  -6.840240      5.794131  
1 1 1 36 15 10 o 95.49521 3.398912  92.05031       4.583931  86.52291       9.167863  97.57771       9.167863  92.60114 4.950190  98.38928 4.658975  -5.788147      6.797825  
1 1 1 36 15 11 o 76.83404 4.563745  60.97774       4.831712  45.45812       9.663424  76.49734       9.663424  66.73460 7.240190  86.93348 5.557942  -20.19888      9.127490  
1 1 1 36 15 12 o 86.94938 4.254777  77.00719       5.227207  80.70007       10.45441  73.31432       10.45441  89.07296 5.868455  84.82580 6.162284  4.247162       8.509555  
1 1 1 36 15 13 o 156.7043 2.771012  247.8563       6.127792  266.4113       12.25558  229.3014       12.25558  162.6246 3.768060  150.7839 4.063957  11.84071       5.542023  
1 1 1 36 15 14 o 40.88683 8.671307  18.60733       5.508343  14.29501       11.01669  22.91966       11.01669  36.73739 12.51318  45.03627 12.00778  -8.298882      17.34261  
1 1 1 36 15 15 o 97.07904 4.919153  97.83026       6.752007  95.51923       13.50401  100.1413       13.50401  95.88876 7.041501  98.26932 6.870921  -2.380562      9.838306  
1 1 1 36 15 16 o 51.56898 7.360020  30.94392       5.351098  14.96210       10.70220  46.92574       10.70220  36.54508 12.33328  66.59289 8.035539  -30.04781      14.72004  
1 1 1 36 15 17 o 59.22892 8.750992  41.94631       7.095088  40.79795       14.19018  43.09468       14.19018  58.25340 12.53873  60.20445 12.21064  -1.951057      17.50198  
1 1 1 36 16 0  o 73.05668 6.556908  54.83565       9.434704  54.83565       9.434704  54.83565       9.434704  73.05668 6.556908  73.05668 6.556908  0.000000       0.000000  
1 1 1 36 16 1  o 150.7696 1.851546  228.2150       3.931127  252.4117       7.862253  204.0183       7.862253  158.7940 2.475615  142.7452 2.753947  16.04878       3.703092  
1 1 1 36 16 2  o 74.66725 3.251549  56.13649       3.416506  62.54541       6.833013  49.72756       6.833013  78.95891 4.326942  70.37559 4.854675  8.583321       6.503099  
1 1 1 36 16 3  o 104.6679 2.308714  109.9905       3.406976  119.8875       6.813953  100.0936       6.813953  109.3957 3.114362  99.94012 3.409017  9.455536       4.617428  
1 1 1 36 16 4  o 49.70824 4.444982  25.07344       3.092486  20.96601       6.184973  29.18087       6.184973  45.57670 6.785235  53.83978 5.743869  -8.263081      8.889963  
1 1 1 36 16 5  o 185.8642 1.965187  346.0297       5.165262  350.0656       10.33052  341.9937       10.33052  186.9499 2.762912  184.7785 2.795381  2.171463       3.930374  
1 1 1 36 16 6  o 70.80535 3.613767  51.23330       3.530867  64.04163       7.061733  38.42498       7.061733  79.85009 4.421869  61.76061 5.717020  18.08948       7.227534  
1 1 1 36 16 7  o 159.3784 2.085818  256.8194       4.641112  303.8832       9.282224  209.7554       9.282224  174.1433 2.665111  144.6136 3.209319  29.52968       4.171636  
1 1 1 36 16 8  o 90.37818 3.225410  82.51077       4.097902  72.18978       8.195804  92.83176       8.195804  84.66829 4.839949  96.08807 4.264735  -11.41978      6.450819  
1 1 1 36 16 9  o 132.7195 2.586951  177.4296       4.836477  195.4699       9.672954  159.3893       9.672954  139.5159 3.466612  125.9231 3.840816  13.59280       5.173903  
1 1 1 36 16 10 o 77.07204 4.203849  60.33922       4.564872  66.28118       9.129744  54.39726       9.129744  80.92684 5.640739  73.21722 6.234697  7.709618       8.407699  
1 1 1 36 16 11 o 137.5035 2.691001  190.5238       5.222442  204.3328       10.44488  176.7149       10.44488  142.5248 3.664234  132.4822 3.941996  10.04263       5.382002  
1 1 1 36 16 12 o 70.24922 5.190150  51.90040       4.946072  35.49926       9.892144  68.30154       9.892144  58.57569 8.443899  81.92276 6.037482  -23.34707      10.38030  
1 1 1 36 16 13 o 91.57858 4.661901  85.79863       6.037257  86.98035       12.07451  84.61690       12.07451  92.22378 6.546313  90.93340 6.639208  1.290382       9.323803  
1 1 1 36 16 14 o 68.65453 5.952917  49.42736       5.760887  45.01974       11.52177  53.83500       11.52177  65.44453 8.802703  71.86453 8.016315  -6.420006      11.90583  
1 1 1 36 16 15 o 62.30102 7.752239  43.42823       6.570938  52.74857       13.14188  34.10788       13.14188  70.25838 9.352531  54.34365 12.36604  15.91473       15.50448  
1 1 1 36 16 16 o 45.25845 7.870577  22.21444       6.299332  43.06609       12.59866  1.362790       12.59866  62.67332 10.05106  27.84358 12.11446  34.82973       15.74115  
1 1 1 36 16 17 o 29.91155 12.87032  4.765002       13.92334  4.765002       13.92334  ?              ?         29.91155 12.87032  ?        ?         ?              ?         
1 1 1 36 17 0  o 23.92789 12.68016  8.462644       8.062383  8.462644       8.062383  8.462644       8.062383  23.92789 12.68016  23.92789 12.68016  0.000000       0.000000  
1 1 1 36 17 1  o 150.5943 1.817171  227.0952       3.869182  232.7227       7.738363  221.4677       7.738363  152.4627 2.537788  148.7259 2.601552  3.736832       3.634342  
1 1 1 36 17 2  o 93.24210 2.706190  88.41461       3.492747  109.1852       6.985494  67.64397       6.985494  104.3801 3.346180  82.10407 4.254048  22.27604       5.412379  
1 1 1 36 17 3  o 176.0656 1.887599  310.7258       4.693527  291.9136       9.387053  329.5380       9.387053  170.7232 2.749203  181.4080 2.587277  -10.68477      3.775198  
1 1 1 36 17 4  o 184.2090 1.937248  340.1068       5.041372  322.0284       10.08274  358.1852       10.08274  179.3019 2.811666  189.1160 2.665756  -9.814072      3.874497  
1 1 1 36 17 5  o 24.96739 6.828962  3.735762       3.521337  6.585233       7.042673  0.8862904      7.042673  27.63085 9.950986  22.30392 9.355041  5.326925       13.65792  
1 1 1 36 17 6  o 169.1949 1.995956  287.3010       4.765002  264.9818       9.530005  309.6203       9.530005  162.5992 2.930520  175.7906 2.710612  -13.19144      3.991912  
1 1 1 36 17 7  o 28.74120 7.181109  7.485817       3.659522  8.796194       7.319043  6.175443       7.319043  30.13542 10.19927  27.34697 10.11178  2.788448       14.36222  
1 1 1 36 17 8  o 141.8216 2.428240  201.9217       4.869832  198.9674       9.739664  204.8760       9.739664  140.7801 3.459177  142.8632 3.408738  -2.083115      4.856481  
1 1 1 36 17 9  o 111.8219 2.967399  125.8961       4.688762  131.7714       9.377523  120.0209       9.377523  114.4489 4.096816  109.1948 4.293942  5.254112       5.934798  
1 1 1 36 17 10 o 146.5981 2.545815  216.3025       5.265327  233.5137       10.53065  199.0913       10.53065  152.4683 3.453392  140.7279 3.741495  11.74039       5.091630  
1 1 1 36 17 11 o 91.61556 3.601617  85.07911       4.660172  80.07109       9.320344  90.08713       9.320344  88.88239 5.243076  94.34873 4.939305  -5.466339      7.203234  
1 1 1 36 17 12 o 106.6260 3.587620  115.1558       5.408277  111.9966       10.81655  118.3150       10.81655  105.1446 5.143657  108.1075 5.002687  -2.962883      7.175241  
1 1 1 36 17 13 o 95.94975 4.069943  93.75141       5.522637  93.92772       11.04527  93.57511       11.04527  96.04162 5.750255  95.85787 5.761277  0.1837463      8.139886  
1 1 1 36 17 14 o 48.56664 8.662821  26.89844       5.999137  22.30974       11.99827  31.48713       11.99827  44.22356 12.82152  52.90971 11.65274  -8.686150      17.32564  
1 1 1 36 17 15 o 58.82625 8.155958  38.99201       6.642413  44.46700       13.28483  33.51702       13.28483  63.97557 10.38273  53.67693 12.58084  10.29865       16.31192  
1 1 1 36 17 16 o 74.31410 6.319427  60.42499       6.499463  47.18305       12.99893  73.66693       12.99893  65.40466 9.937307  83.22354 7.809644  -17.81888      12.63885  
1 1 1 36 17 17 o 77.62985 7.193597  71.94199       7.319043  50.53761       14.63809  93.34639       14.63809  63.41458 11.97865  91.84513 7.968896  -28.43055      14.38719  
1 1 1 36 18 0  o 16.63642 10.92506  -0.6385102     8.796194  -0.6385102     8.796194  -0.6385102     8.796194  16.63642 10.92506  16.63642 10.92506  0.000000       0.000000  
1 1 1 36 18 1  f 143.4047 2.050014  206.2388       4.150317  192.2488       8.300633  220.2289       8.300633  138.5268 2.996038  148.2825 2.798926  -9.755646      4.100028  
1 1 1 36 18 2  o 107.9489 2.249717  116.9665       3.426036  107.5270       6.852073  126.4060       6.852073  103.5767 3.307729  112.3211 3.050217  -8.744385      4.499433  
1 1 1 36 18 3  o 138.8252 2.062459  193.1875       4.045487  183.6622       8.090974  202.7127       8.090974  135.3946 2.987924  142.2559 2.843810  -6.861328      4.124918  
1 1 1 36 18 4  o 115.2207 2.358192  133.1199       3.840591  138.0707       7.681183  128.1690       7.681183  117.3691 3.272234  113.0723 3.396582  4.296829       4.716384  
1 1 1 36 18 5  o 159.1379 1.996720  253.7601       4.493397  250.2769       8.986794  257.2434       8.986794  158.0435 2.843140  160.2323 2.804302  -2.188797      3.993439  
1 1 1 36 18 6  o 27.27473 7.369155  5.465457       3.964482  4.793592       7.928963  6.137322       7.928963  26.64591 10.35956  27.90355 10.48319  -1.257635      14.73831  
1 1 1 36 18 7  o 52.37865 5.938394  29.00933       4.164612  20.87071       8.329224  37.14795       8.329224  44.23732 9.680115  60.51997 6.881384  -16.28266      11.87679  
1 1 1 36 18 8  o 22.50131 6.862535  -2.611221      4.240851  -9.177394      8.481703  3.954952       8.481703  18.52873 8.729337  26.47390 10.59133  -7.945175      13.72507  
1 1 1 36 18 9  o 29.20578 7.771666  6.208798       4.521987  10.57831       9.043974  1.839291       9.043974  32.93990 11.33293  25.47167 10.63766  7.468224       15.54333  
1 1 1 36 18 10 o 50.70525 6.870922  27.51312       4.784062  34.28895       9.568124  20.73729       9.568124  57.75867 8.282847  43.65184 10.96507  14.10682       13.74184  
1 1 1 36 18 11 o 189.7354 2.331854  361.9638       6.256447  367.3721       12.51289  356.5555       12.51289  191.1606 3.272875  188.3102 3.322416  2.850433       4.663707  
1 1 1 36 18 12 o 45.98892 8.063909  23.50099       5.503577  13.07517       11.00715  33.92681       11.00715  35.96427 12.49009  56.01358 10.20315  -20.04930      16.12782  
1 1 1 36 18 13 o 81.09747 5.397021  68.10140       6.189737  67.76785       12.37947  68.43496       12.37947  80.89182 7.651871  81.30312 7.613161  -0.4112930     10.79404  
1 1 1 36 18 14 o 88.91025 4.657104  81.57683       5.846657  86.66586       11.69331  76.48781       11.69331  91.77214 6.370842  86.04836 6.794618  5.723778       9.314207  
1 1 1 36 18 15 o 51.22832 8.192606  30.60084       6.599527  51.27143       13.19905  9.930264       13.19905  68.84615 9.585906  33.61049 13.28855  35.23567       16.38521  
1 1 1 36 18 16 o 24.51420 7.993057  -6.213562      6.466108  -5.956253      12.93222  -6.470873      12.93222  24.61497 11.33247  24.41344 11.27523  0.2015266      15.98611  
1 1 1 36 19 0  o 219.1751 3.815888  481.5511       16.71563  481.5511       16.71563  481.5511       16.71563  219.1751 3.815888  219.1751 3.815888  0.000000       0.000000  
1 1 1 36 19 1  o 72.64009 3.471050  53.23460       3.545162  59.79125       7.090323  46.67796       7.090323  77.15320 4.594964  68.12699 5.203754  9.026207       6.942101  
1 1 1 36 19 2  o 157.0401 2.059300  247.1940       4.569637  258.8445       9.139274  235.5436       9.139274  160.7495 2.842706  153.3307 2.980248  7.418762       4.118599  
1 1 1 36 19 3  o 132.4869 2.120121  175.9620       3.969247  167.9377       7.938493  183.9863       7.938493  129.4585 3.066037  135.5152 2.929005  -6.056656      4.240242  
1 1 1 36 19 4  o 99.56161 2.753435  100.3509       3.826297  81.81509       7.652593  118.8868       7.652593  90.25288 4.239529  108.8704 3.514544  -18.61748      5.506870  
1 1 1 36 19 5  o 142.8146 2.261648  204.6568       4.564872  213.1766       9.129744  196.1370       9.129744  145.7975 3.130968  139.8318 3.264545  5.965652       4.523297  
1 1 1 36 19 6  o 54.86539 5.030435  30.82003       3.850122  36.56663       7.700243  25.07344       7.700243  60.10238 6.405939  49.62839 7.757902  10.47399       10.06087  
1 1 1 36 19 7  o 32.53691 7.056659  10.39723       3.831062  4.345681       7.662123  16.44879       7.662123  25.90061 10.16031  39.17321 9.795609  -13.27260      14.11332  
1 1 1 36 19 8  o 109.7148 2.849064  121.3027       4.407627  131.9620       8.815253  110.6433       8.815253  114.5725 3.847019  104.8571 4.203463  9.715469       5.698127  
1 1 1 36 19 9  o 117.5412 2.909583  139.0428       4.836477  139.9291       9.672954  138.1565       9.672954  117.9182 4.101553  117.1642 4.127949  0.7540283      5.819167  
1 1 1 36 19 10 o 74.50090 4.719769  56.80836       4.950837  50.78539       9.901674  62.83132       9.901674  70.45869 7.026581  78.54311 6.303338  -8.084412      9.439539  
1 1 1 36 19 11 o 94.98715 3.934001  91.68816       5.274857  98.02562       10.54971  85.35071       10.54971  98.32310 5.364819  91.65120 5.755361  6.671906       7.868002  
1 1 1 36 19 12 o 117.3349 3.351551  139.3191       5.560757  136.8127       11.12151  141.8255       11.12151  116.2668 4.782755  118.4029 4.696469  -2.136101      6.703101  
1 1 1 36 19 13 o 67.97618 6.076213  48.46007       5.837128  50.46137       11.67426  46.45877       11.67426  69.44824 8.405005  66.50411 8.777092  2.944130       12.15243  
1 1 1 36 19 14 o 118.9594 3.948564  145.0848       6.637648  138.6330       13.27530  151.5366       13.27530  116.2476 5.709923  121.6711 5.455401  -5.423546      7.897128  
1 1 1 36 19 15 o 29.87304 8.998418  3.492747       6.709123  6.146852       13.41825  0.8386404      13.41825  31.32786 13.01221  28.41821 12.43256  2.909647       17.99684  
1 1 1 36 19 16 o 82.91229 5.904763  73.94331       6.918783  70.96041       13.83757  76.92619       13.83757  81.11346 8.529759  84.71111 8.167503  -3.597649      11.80953  
1 1 1 36 20 0  o 22.79962 12.94542  7.128443       9.024914  7.128443       9.024914  7.128443       9.024914  22.79962 12.94542  22.79962 12.94542  0.000000       0.000000  
1 1 1 36 20 1  o 200.7632 1.916989  404.0008       5.436867  425.6481       10.87373  382.3533       10.87373  206.1544 2.637279  195.3719 2.782830  10.78255       3.833977  
1 1 1 36 20 2  o 82.34605 3.191978  68.13476       3.716702  69.43561       7.433403  66.83392       7.433403  83.13592 4.470633  81.55620 4.557228  1.579720       6.383955  
1 1 1 36 20 3  o 164.0685 2.044075  269.8230       4.741177  278.0093       9.482354  261.6367       9.482354  166.5632 2.846473  161.5737 2.934375  4.989548       4.088149  
1 1 1 36 20 4  f 47.63014 5.686438  24.16809       3.611871  32.37342       7.223743  15.96276       7.223743  56.56204 6.385681  38.69825 9.410917  17.86380       11.37288  
1 1 1 36 20 5  o 143.7183 2.306406  207.3204       4.683997  216.8457       9.367994  197.7952       9.367994  147.0322 3.185695  140.4045 3.336074  6.627716       4.612813  
1 1 1 36 20 6  o 106.0239 2.918278  113.2021       4.364742  122.3843       8.729484  104.0200       8.729484  110.3542 3.955212  101.6937 4.292047  8.660454       5.836555  
1 1 1 36 20 7  o 120.4301 2.749307  145.8710       4.679232  139.6622       9.358463  152.0798       9.358463  117.8523 3.970421  123.0078 3.804012  -5.155518      5.498613  
1 1 1 36 20 8  o 37.75723 7.411554  15.18129       4.236087  10.09227       8.472174  20.27032       8.472174  32.11547 10.97335  43.39898 9.965447  -11.28351      14.82311  
1 1 1 36 20 9  o 47.84769 6.787008  24.46828       4.493397  18.26902       8.986794  30.66755       8.986794  41.04863 10.80011  54.64675 8.222625  -13.59812      13.57402  
1 1 1 36 20 10 o 31.50756 8.372494  8.133858       5.165262  4.602992       10.33052  11.66473       10.33052  28.63041 11.59100  34.38470 12.08484  -5.754297      16.74499  
1 1 1 36 20 11 o 124.8358 3.201514  157.4500       5.651292  160.4853       11.30258  154.4147       11.30258  126.0515 4.483319  123.6201 4.571500  2.431442       6.403027  
1 1 1 36 20 12 o 37.41001 8.715180  14.14729       5.656057  21.51875       11.31211  6.775833       11.31211  43.84731 12.36588  30.97271 12.28423  12.87461       17.43036  
1 1 1 36 20 13 o 64.20514 7.169985  45.00068       6.218328  35.24195       12.43666  54.75940       12.43666  56.15202 11.47069  72.25826 8.605698  -16.10625      14.33997  
1 1 1 36 20 14 o 40.10764 9.311915  17.38749       6.518523  8.195804       13.03705  26.57918       13.03705  32.66953 13.10560  47.54575 13.23217  -14.87621      18.62383  
1 1 1 36 20 15 o 60.74577 8.597396  43.26622       7.223743  33.64091       14.44749  52.89152       14.44749  52.40110 13.65077  69.09044 10.45549  -16.68933      17.19479  
1 1 1 36 20 16 o 72.56384 7.906584  62.60260       7.557293  43.51400       15.11459  81.69119       15.11459  58.92998 13.16013  86.19770 8.767395  -27.26772      15.81317  
1 1 1 36 21 0  o 153.4333 3.956132  236.3631       12.12216  236.3631       12.12216  236.3631       12.12216  153.4333 3.956132  153.4333 3.956132  0.000000       0.000000  
1 1 1 36 21 1  o 57.86148 4.492850  33.96493       3.654756  29.76220       7.309513  38.16767       7.309513  54.22976 6.739392  61.49320 5.943350  -7.263439      8.985701  
1 1 1 36 21 2  o 74.47916 3.351335  56.00784       3.511806  62.50729       7.023612  49.50837       7.023612  78.84244 4.454208  70.11589 5.008574  8.726547       6.702670  
1 1 1 36 21 3  o 123.7778 2.381272  153.9382       4.159847  165.2598       8.319694  142.6165       8.319694  128.3512 3.240988  119.2044 3.489674  9.146744       4.762545  
1 1 1 36 21 4  o 66.67607 4.096380  45.57248       3.773881  34.51767       7.547763  56.62728       7.547763  58.38614 6.463661  74.96600 5.034124  -16.57987      8.192760  
1 1 1 36 21 5  o 66.78541 4.339441  45.26275       4.078841  40.20709       8.157682  50.31842       8.157682  63.00040 6.474311  70.57042 5.779818  -7.570019      8.678883  
1 1 1 36 21 6  o 136.4986 2.486558  187.1693       4.798357  192.8110       9.596713  181.5275       9.596713  138.5652 3.462888  134.4320 3.569356  4.133194       4.973117  
1 1 1 36 21 7  o 27.77543 7.687220  5.069962       4.412392  3.554691       8.824783  6.585233       8.824783  26.50718 10.72059  29.04367 11.02009  -2.536489      15.37444  
1 1 1 36 21 8  o 44.36465 7.272384  21.27097       4.483867  18.76458       8.967733  23.77736       8.967733  41.64262 10.70903  47.08668 9.842105  -5.444065      14.54477  
1 1 1 36 21 9  o 116.0709 3.185779  136.0265       5.227207  140.5580       10.45441  131.4950       10.45441  118.0229 4.428976  114.1188 4.580494  3.904091       6.371558  
1 1 1 36 21 10 o 95.18322 3.870557  91.99313       5.203382  97.32040       10.40676  86.66586       10.40676  97.98165 5.310567  92.38479 5.632293  5.596863       7.741114  
1 1 1 36 21 11 o 30.83592 8.544092  5.884777       5.656057  -0.8577003E-01 11.31211  11.85532       11.31211  26.62154 11.52934  35.05030 12.61271  -8.428761      17.08818  
1 1 1 36 21 12 f 38.11314 8.437913  15.64827       5.227207  10.22569       10.45441  21.07084       10.45441  32.92224 12.09753  43.30404 11.76619  -10.38180      16.87583  
1 1 1 36 21 13 o 113.0405 4.287003  131.8238       6.794893  112.5208       13.58979  151.1268       13.58979  104.5024 6.502143  121.5786 5.588890  -17.07622      8.574005  
1 1 1 36 21 14 o 37.22979 9.547422  13.87568       6.837778  5.498813       13.67556  22.25256       13.67556  31.20073 13.05887  43.25884 13.93122  -12.05811      19.09484  
1 1 1 36 21 15 o 76.97878 6.701253  64.83261       7.295218  65.11852       14.59044  64.54671       14.59044  77.16448 9.454114  76.79308 9.499838  0.3713989      13.40251  
1 1 1 36 21 16 o 25.92782 12.12065  -4.107431      15.53391  -4.107431      15.53391  ?              ?         25.92782 12.12065  ?        ?         ?              ?         
1 1 1 36 22 0  o 43.12429 13.23827  23.52958       9.958854  23.52958       9.958854  23.52958       9.958854  43.12429 13.23827  43.12429 13.23827  0.000000       0.000000  
1 1 1 36 22 1  o 173.2705 2.074724  303.0541       5.031842  352.7817       10.06368  253.3266       10.06368  187.6202 2.681929  158.9209 3.166256  28.69939       4.149449  
1 1 1 36 22 2  o 47.48838 5.318183  22.94825       3.568987  23.94890       7.137973  21.94760       7.137973  48.54195 7.352376  46.43480 7.686017  2.107147       10.63637  
1 1 1 36 22 3  o 33.49468 7.114530  11.10246       3.935891  17.56380       7.871783  4.641112       7.871783  40.53992 9.802293  26.44944 10.31413  14.09048       14.22906  
1 1 1 36 22 4  o 58.87331 4.924721  35.40873       4.059782  41.04573       8.119563  29.77173       8.119563  63.66071 6.377217  54.08592 7.506171  9.574795       9.849442  
1 1 1 36 22 5  o 252.4361 2.182374  639.3774       7.790778  633.3068       15.58156  645.4481       15.58156  251.2337 3.101008  253.6385 3.071607  -2.404800      4.364748  
1 1 1 36 22 6  o 34.18441 7.699058  12.05069       4.193202  12.80832       8.386403  11.29305       8.386403  35.00297 10.85848  33.36584 10.91766  1.637123       15.39812  
1 1 1 36 22 7  o 96.52117 3.573008  94.21364       4.865067  86.61820       9.730133  101.8090       9.730133  92.58659 5.254613  100.4558 4.842995  -7.869171      7.146017  
1 1 1 36 22 8  o 35.00646 7.990917  12.31753       4.669702  7.423873       9.339403  17.21119       9.339403  30.15133 11.36717  39.86159 11.23416  -9.710264      15.98183  
1 1 1 36 22 9  o 44.24206 6.874002  21.18520       4.826947  4.317091       9.653894  38.05330       9.653894  27.75302 11.21766  60.73111 7.948063  -32.97810      13.74800  
1 1 1 36 22 10 o 34.64052 8.444510  11.91250       5.069962  14.76198       10.13992  9.063033       10.13992  37.26681 11.99538  32.01423 11.88907  5.252586       16.88902  
1 1 1 36 22 11 o 81.21629 5.276900  68.54932       5.970548  81.73884       11.94110  55.35979       11.94110  89.33630 6.683228  73.09630 8.168057  16.24000       10.55380  
1 1 1 36 22 12 o 54.91763 7.989743  33.68857       5.999137  31.22982       11.99827  36.14730       11.99827  52.66854 11.69796  57.16671 10.88585  -4.498165      15.97949  
1 1 1 36 22 13 o 25.08112 8.139606  -7.838429      6.694828  -14.83822      13.38966  -0.8386404     13.38966  22.35415 10.68691  27.80810 12.28018  -5.453953      16.27921  
1 1 1 36 22 14 o 30.72173 9.275809  2.849471       7.309513  9.387053       14.61903  -3.688112      14.61903  34.03142 13.78405  27.41204 12.41622  6.619381       18.55162  
1 1 1 36 22 15 o 45.60179 14.64187  26.26469       15.11459  26.26469       15.11459  ?              ?         45.60179 14.64187  ?        ?         ?              ?         
1 1 1 36 23 0  o 45.92467 12.68576  25.75007       10.06368  25.75007       10.06368  25.75007       10.06368  45.92467 12.68576  45.92467 12.68576  0.000000       0.000000  
1 1 1 36 23 1  o 91.75545 3.287964  85.68903       4.193202  103.7722       8.386403  67.60585       8.386403  101.6095 4.126783  81.90144 5.119814  19.70802       6.575929  
1 1 1 36 23 2  o 94.70163 3.005163  90.36826       4.012132  98.57836       8.024263  82.15816       8.024263  99.03635 4.051171  90.36691 4.439824  8.669434       6.010326  
1 1 1 36 23 3  o 52.43591 6.165081  29.46677       4.298031  19.38403       8.596063  39.54952       8.596063  42.47239 10.22689  62.39944 6.887933  -19.92705      12.33016  
1 1 1 36 23 4  o 169.2097 2.360620  287.5202       5.646527  277.8759       11.29305  297.1646       11.29305  166.3599 3.394165  172.0595 3.281729  -5.699646      4.721239  
1 1 1 36 23 5  o 73.48209 4.739753  57.06567       4.617287  79.39445       9.234573  34.73687       9.234573  88.67545 5.206951  58.28872 7.921407  30.38672       9.479506  
1 1 1 36 23 6  o 72.70605 4.437057  53.70158       4.555342  50.33748       9.110683  57.06567       9.110683  70.39257 6.471339  75.01955 6.072207  -4.626976      8.874115  
1 1 1 36 23 7  o 43.65598 7.351074  20.76111       4.579167  13.88521       9.158334  27.63701       9.158334  36.33343 11.36253  50.97853 9.329844  -14.64510      14.70215  
1 1 1 36 23 8  o 107.8475 3.282437  117.7194       4.993722  108.1751       9.987444  127.2637       9.987444  103.4226 4.828465  112.2724 4.447864  -8.849808      6.564873  
1 1 1 36 23 9  f 82.25288 4.958108  70.29808       5.627467  87.59026       11.25493  53.00588       11.25493  92.76449 6.066403  71.74129 7.844112  21.02320       9.916216  
1 1 1 36 23 10 o 111.3502 3.613895  125.8294       5.679882  134.7447       11.35976  116.9141       11.35976  115.3535 4.923893  107.3469 5.291146  8.006546       7.227790  
1 1 1 36 23 11 o 36.76333 9.322552  13.60884       6.175443  12.90362       12.35089  14.31407       12.35089  36.20148 13.16401  37.32518 13.20412  -1.123695      18.64510  
1 1 1 36 23 12 o 62.55915 7.325661  43.62359       6.080142  58.36175       12.16028  28.88544       12.16028  74.74973 8.133999  50.36858 12.18603  24.38116       14.65132  
1 1 1 36 23 13 o 130.9526 3.896828  176.4623       7.161798  200.9306       14.32360  151.9940       14.32360  140.2950 5.104812  121.6102 5.889142  18.68482       7.793657  
1 1 1 36 23 14 o 68.46579 8.356075  54.67840       7.714538  40.55970       15.42908  68.79710       15.42908  57.66263 13.58610  79.26894 9.732106  -21.60631      16.71215  
1 1 1 36 23 15 o 60.80658 13.69771  46.77326       16.25819  46.77326       16.25819  ?              ?         60.80658 13.69771  ?        ?         ?              ?         
1 1 1 36 24 0  o 91.78383 6.183086  85.92252       11.24540  85.92252       11.24540  85.92252       11.24540  91.78383 6.183086  91.78383 6.183086  0.000000       0.000000  
1 1 1 36 24 1  o 128.7471 2.408802  166.7084       4.374272  152.7946       8.748544  180.6222       8.748544  123.3436 3.546412  134.1507 3.260715  -10.80708      4.817604  
1 1 1 36 24 2  o 47.86731 6.211860  24.51117       4.026426  16.57268       8.052853  32.44966       8.052853  39.27068 10.17340  56.46395 7.130969  -17.19327      12.42372  
1 1 1 36 24 3  o 129.7280 2.507641  169.0956       4.598227  175.3330       9.196454  162.8582       9.196454  132.1320 3.480024  127.3240 3.611439  4.808052       5.015282  
1 1 1 36 24 4  o 178.4041 2.263035  319.5029       5.708472  311.9742       11.41694  327.0316       11.41694  176.2941 3.238039  180.5141 3.162341  -4.220032      4.526069  
1 1 1 36 24 5  o 57.08144 5.622357  33.37407       4.536282  32.15423       9.072563  34.59391       9.072563  56.01293 8.098634  58.14994 7.801008  -2.137016      11.24471  
1 1 1 36 24 6  o 128.0369 2.697984  164.8738       4.884127  168.9860       9.768253  160.7616       9.768253  129.6427 3.767374  126.4310 3.863077  3.211716       5.395968  
1 1 1 36 24 7  o 60.94359 6.490768  40.31192       5.174792  26.03597       10.34958  54.58786       10.34958  48.83820 10.87829  73.04898 7.084002  -24.21078      12.98154  
1 1 1 36 24 8  o 88.78005 4.051938  80.12827       5.084257  83.31129       10.16851  76.94526       10.16851  90.57269 5.613455  86.98741 5.844820  3.585281       8.103875  
1 1 1 36 24 9  o 62.93134 6.825315  43.56165       5.584582  60.43929       11.16916  26.68401       11.16916  76.72958 7.278265  49.13311 11.54844  27.59647       13.65063  
1 1 1 36 24 10 o 57.12512 7.744938  36.80011       6.042023  53.80640       12.08405  19.79382       12.08405  71.98985 8.392881  42.26039 13.01906  29.72945       15.48988  
1 1 1 36 24 11 o 56.39229 7.896713  35.42302       6.075377  38.33920       12.15075  32.50684       12.15075  58.99789 10.69080  53.78669 11.62493  5.211197       15.79343  
1 1 1 36 24 12 o 48.67283 9.285712  27.88955       6.742478  36.14730       13.48496  19.63181       13.48496  55.95700 12.37891  41.38866 13.84415  14.56834       18.57142  
1 1 1 36 24 13 f 54.64341 9.235746  35.58027       7.056968  32.25906       14.11394  38.90148       14.11394  51.75218 13.49718  57.53464 12.61040  -5.782463      18.47149  
1 1 1 36 24 14 o 42.47355 14.88276  22.22397       15.65780  22.22397       15.65780  ?              ?         42.47355 14.88276  ?        ?         ?              ?         
1 1 1 36 25 0  o 63.28845 8.960749  41.91296       11.02621  41.91296       11.02621  41.91296       11.02621  63.28845 8.960749  63.28845 8.960749  0.000000       0.000000  
1 1 1 36 25 1  o 28.92604 6.452054  3.978776       3.954952  17.50662       7.909904  -9.549064      7.909904  40.36622 9.867167  17.48586 8.315949  22.88036       12.90411  
1 1 1 36 25 2  f 74.32829 4.159763  55.96018       4.369507  53.56815       8.739014  58.35221       8.739014  72.71919 6.008739  75.93739 5.754091  -3.218193      8.319526  
1 1 1 36 25 3  o 60.81061 5.381935  37.95324       4.593462  43.20904       9.186924  32.69744       9.186924  65.13206 7.052536  56.48916 8.131581  8.642899       10.76387  
1 1 1 36 25 4  o 125.3971 2.995132  158.5602       5.298682  171.1875       10.59736  145.9330       10.59736  130.4320 4.062410  120.3622 4.402282  10.06982       5.990264  
1 1 1 36 25 5  o 121.9131 2.962746  149.6306       5.108082  150.1357       10.21616  149.1255       10.21616  122.1202 4.182831  121.7059 4.197070  0.4142990      5.925493  
1 1 1 36 25 6  o 85.00792 4.241189  73.50968       5.089022  68.35872       10.17804  78.66065       10.17804  81.97823 6.207773  88.03762 5.780509  -6.059395      8.482378  
1 1 1 36 25 7  o 46.38335 8.059729  23.77260       5.260562  21.69982       10.52112  25.84537       10.52112  44.27853 11.70226  48.48818 11.08576  -4.209644      16.11946  
1 1 1 36 25 8  o 79.36975 4.483837  64.43236       5.008017  71.67516       10.01603  57.18955       10.01603  83.93245 5.966723  74.80706 6.694579  9.125389       8.967674  
1 1 1 36 25 9  o 57.20692 7.233959  37.11937       5.498813  17.93547       10.99763  56.30326       10.99763  40.44542 12.41194  73.96843 7.433999  -33.52301      14.46792  
1 1 1 36 25 10 o 67.28524 6.805970  49.05570       6.137322  36.80487       12.27464  61.30651       12.27464  57.76752 11.01948  76.80296 7.990997  -19.03545      13.61194  
1 1 1 36 25 11 o 91.04224 4.937013  85.58897       6.356512  85.96063       12.71302  85.21730       12.71302  91.24635 6.966320  90.83811 6.997627  0.4082413      9.874026  
1 1 1 36 25 12 o 39.55643 9.993389  17.12065       7.090323  17.35414       14.18065  16.88717       14.18065  39.73001 14.13898  39.38284 14.12659  0.3471756      19.98678  
1 1 1 36 25 13 o 71.40842 7.986601  58.18068       7.681183  45.18175       15.36237  71.17960       15.36237  61.79926 12.85519  81.01757 9.480886  -19.21831      15.97320  
1 1 1 36 25 14 o 31.31049 13.70935  3.287851       16.34396  3.287851       16.34396  ?              ?         31.31049 13.70935  ?        ?         ?              ?         
1 1 1 36 26 0  o 16.61664 11.43433  -6.442283      11.79815  -6.442283      11.79815  -6.442283      11.79815  16.61664 11.43433  16.61664 11.43433  0.000000       0.000000  
1 1 1 36 26 1  o 150.4772 2.396631  227.4669       5.098552  220.8292       10.19710  234.1046       10.19710  148.2716 3.438656  152.6827 3.339312  -4.411057      4.793262  
1 1 1 36 26 2  o 136.4520 2.666202  187.2789       5.141437  195.3174       10.28287  179.2403       10.28287  139.3976 3.688325  133.5065 3.851077  5.891113       5.332404  
1 1 1 36 26 3  o 36.50308 7.485712  13.33724       4.555342  22.56705       9.110683  4.107431       9.110683  45.76292 10.21568  27.24324 10.94456  18.51968       14.97142  
1 1 1 36 26 4  o 59.74208 6.288641  38.32015       4.950837  25.73101       9.901674  50.90928       9.901674  48.81467 10.44554  70.66949 7.005622  -21.85482      12.57728  
1 1 1 36 26 5  o 81.27261 4.319699  67.20559       4.960367  63.93680       9.920734  70.47438       9.920734  79.26160 6.258222  83.28361 5.955995  -4.022003      8.639399  
1 1 1 36 26 6  o 60.55453 5.747363  38.03424       4.888892  42.94220       9.777783  33.12630       9.777783  64.60703 7.567121  56.50202 8.652596  8.105015       11.49473  
1 1 1 36 26 7  o 65.96806 6.202517  45.23893       5.765652  49.50837       11.53130  40.96949       11.53130  69.20405 8.331380  62.73207 9.190918  6.471981       12.40503  
1 1 1 36 26 8  f 99.48808 3.950958  101.3135       5.494047  118.8105       10.98809  83.81639       10.98809  108.2816 5.073849  90.69453 6.057749  17.58712       7.901916  
1 1 1 36 26 9  o 128.6460 3.397562  167.6757       6.180207  171.2446       12.36041  164.1067       12.36041  130.0332 4.752793  127.2589 4.856405  2.774261       6.795125  
1 1 1 36 26 10 o 45.09190 9.333948  23.31992       6.342218  24.98767       12.68444  21.65217       12.68444  46.61894 13.07741  43.56487 13.32185  3.054070       18.66790  
1 1 1 36 26 11 o 42.30956 9.517550  20.32750       6.680532  12.69396       13.36106  27.96103       13.36106  35.94449 13.58285  48.67462 13.33570  -12.73013      19.03510  
1 1 1 36 26 12 o 81.79912 6.349040  71.74187       7.342868  73.44774       14.68574  70.03600       14.68574  82.84184 8.863721  80.75639 9.092616  2.085442       12.69808  
1 1 1 36 26 13 o 44.06780 14.53153  24.25386       14.85728  24.25386       14.85728  ?              ?         44.06780 14.53153  ?        ?         ?              ?         
1 1 1 36 26 14 o 50.15660 15.19501  35.46114       16.55362  35.46114       16.55362  ?              ?         50.15660 15.19501  ?        ?         ?              ?         
1 1 1 36 27 0  o 16.84283 11.69460  -8.252983      12.81786  -8.252983      12.81786  -8.252983      12.81786  16.84283 11.69460  16.84283 11.69460  0.000000       0.000000  
1 1 1 36 27 1  o 77.35889 4.320755  61.55907       4.622052  46.93527       9.244103  76.18285       9.244103  67.90697 6.806448  86.81080 5.324283  -18.90383      8.641511  
1 1 1 36 27 2  f 179.1482 2.208027  322.1808       5.594112  321.5995       11.18822  322.7622       11.18822  178.9859 3.125448  179.3104 3.119792  -0.3244934     4.416054  
1 1 1 36 27 3  o 49.13612 6.473015  26.12174       4.312327  16.93482       8.624654  35.30866       8.624654  39.52039 10.66422  58.75185 7.339900  -19.23146      12.94603  
1 1 1 36 27 4  o 76.81407 4.651816  60.23915       5.050902  62.35482       10.10180  58.12350       10.10180  78.19120 6.459681  75.43694 6.695529  2.754257       9.303633  
1 1 1 36 27 5  o 109.6020 3.548052  122.3891       5.446397  103.0765       10.89279  141.7016       10.89279  100.7917 5.403619  118.4123 4.599521  -17.62062      7.096104  
1 1 1 36 27 6  o 88.75730 4.650465  80.47612       5.832363  84.23570       11.66473  76.71654       11.66473  90.87521 6.417991  86.63940 6.731767  4.235809       9.300930  
1 1 1 36 27 7  o 95.20024 4.461880  92.55064       5.999137  97.96844       11.99827  87.13283       11.99827  98.04573 6.118714  92.35476 6.495754  5.690971       8.923759  
1 1 1 36 27 8  o 73.58873 5.620823  56.17936       5.818067  62.67884       11.63613  49.67991       11.63613  78.00480 7.458602  69.17265 8.410936  8.832146       11.24165  
1 1 1 36 27 9  o 42.65446 9.255626  20.51333       6.180207  24.07279       12.36041  16.95388       12.36041  45.87531 12.92241  39.43361 13.25434  6.441692       18.51125  
1 1 1 36 27 10 o 31.53296 9.234862  5.284387       6.775833  8.014733       13.55167  2.554041       13.55167  33.14979 13.33536  29.91614 12.77884  3.233650       18.46972  
1 1 1 36 27 11 o 119.6571 3.987849  146.8430       6.742478  139.9958       13.48496  153.6904       13.48496  116.7958 5.772875  122.5183 5.503242  -5.722443      7.975698  
1 1 1 36 27 12 o 49.13832 14.46719  29.83844       15.16224  29.83844       15.16224  ?              ?         49.13832 14.46719  ?        ?         ?              ?         
1 1 1 36 27 13 o 74.05434 8.552502  65.19952       8.372108  44.00956       16.74422  86.38948       16.74422  59.26592 14.27510  88.84277 9.423512  -29.57685      17.10500  
1 1 1 36 28 0  o 36.08049 16.75954  20.07019       13.31342  20.07019       13.31342  20.07019       13.31342  36.08049 16.75954  36.08049 16.75954  0.000000       0.000000  
1 1 1 36 28 1  o 144.0184 2.597645  208.8643       5.284387  197.1662       10.56877  220.5624       10.56877  139.9571 3.775720  148.0797 3.568610  -8.122650      5.195290  
1 1 1 36 28 2  o 88.22856 3.811775  78.98943       4.750707  74.70570       9.501413  83.27317       9.501413  85.80093 5.536894  90.65620 5.240355  -4.855263      7.623550  
1 1 1 36 28 3  o 40.71867 7.905423  18.18801       4.736412  21.28050       9.472824  15.09553       9.472824  44.01515 10.82224  37.42219 11.52658  6.592960       15.81085  
1 1 1 36 28 4  o 38.26753 7.277002  12.94651       5.222442  30.93439       10.44488  -5.041372      10.44488  53.51518 10.12720  23.01988 10.45270  30.49530       14.55400  
1 1 1 36 28 5  o 64.72059 6.297362  44.65760       5.460692  55.89347       10.92138  33.42172       10.92138  73.78397 7.400919  55.65722 10.19085  18.12675       12.59472  
1 1 1 36 28 6  o 134.9050 3.081024  183.9100       5.870482  194.6217       11.74096  173.1983       11.74096  138.8751 4.227168  130.9349 4.483514  7.940201       6.162049  
1 1 1 36 28 7  o 32.80138 8.941604  7.871784       6.070612  13.51355       12.14122  2.230021       12.14122  36.80364 13.08430  28.79911 12.19058  8.004524       17.88321  
1 1 1 36 28 8  o 60.48716 7.542090  41.19344       6.065848  24.53976       12.13170  57.84712       12.13170  46.43742 12.70058  74.53690 8.138046  -28.09949      15.08418  
1 1 1 36 28 9  o 43.71062 9.383523  21.76653       6.337452  24.43493       12.67490  19.09813       12.67490  46.11200 13.11697  41.30924 13.42189  4.802761       18.76705  
1 1 1 36 28 10 o 35.75082 9.686319  11.56942       7.028378  6.042023       14.05676  17.09683       14.05676  32.03327 13.31251  39.46838 14.07395  -7.435116      19.37264  
1 1 1 36 28 11 o 32.75118 9.343574  4.998487       7.323808  -7.614474      14.64762  17.61145       14.64762  25.91377 11.98020  39.58860 14.34169  -13.67483      18.68715  
1 1 1 36 28 12 o 38.35537 14.34343  16.64892       14.80962  16.64892       14.80962  ?              ?         38.35537 14.34343  ?        ?         ?              ?         
1 1 1 36 28 13 o 46.03640 15.17444  29.28570       16.20101  29.28570       16.20101  ?              ?         46.03640 15.17444  ?        ?         ?              ?         
1 1 1 36 29 0  o 94.51736 7.592231  92.30762       14.17112  92.30762       14.17112  92.30762       14.17112  94.51736 7.592231  94.51736 7.592231  0.000000       0.000000  
1 1 1 36 29 1  o 28.29752 7.566340  2.906651       4.807887  13.58979       9.615773  -7.776483      9.615773  35.94154 11.69051  20.65350 9.608843  15.28804       15.13268  
1 1 1 36 29 2  o 96.65593 3.981997  95.41440       5.393982  109.9286       10.78796  80.90021       10.78796  104.1641 5.178350  89.14774 6.050610  15.01637       7.963993  
1 1 1 36 29 3  o 34.03064 8.394755  11.13581       5.074727  15.01929       10.14945  7.252333       10.14945  37.54638 11.99256  30.51491 11.75015  7.031469       16.78951  
1 1 1 36 29 4  o 106.8534 3.722042  116.6330       5.555993  137.2606       11.11199  96.00526       11.11199  116.5058 4.768857  97.20109 5.715978  19.30466       7.444085  
1 1 1 36 29 5  o 21.60955 7.201918  -11.74096      5.784712  -11.96968      11.56942  -11.51224      11.56942  21.52886 10.15813  21.69023 10.21189  -0.1613674     14.40384  
1 1 1 36 29 6  o 21.66080 7.159258  -10.85944      5.565523  -4.402862      11.13105  -17.31602      11.13105  24.11797 10.88389  19.20362 9.303805  4.914347       14.31852  
1 1 1 36 29 7  o 109.9689 4.116254  124.0235       6.351747  106.5740       12.70349  141.4729       12.70349  102.0351 6.225063  117.9027 5.387280  -15.86761      8.232508  
1 1 1 36 29 8  f 77.16621 6.296509  63.46030       6.709123  48.45053       13.41825  78.47005       13.41825  67.44061 9.948195  86.89182 7.721237  -19.45121      12.59302  
1 1 1 36 29 9  o 55.71151 8.639389  35.97576       6.899723  50.10876       13.79945  21.84277       13.79945  68.12438 10.12813  43.29865 13.99919  24.82574       17.27878  
1 1 1 36 29 10 o 31.82969 9.501288  5.036607       7.352398  7.080793       14.70480  2.992421       14.70480  32.94204 13.64841  30.71734 13.22191  2.224701       19.00258  
1 1 1 36 29 11 o 80.20866 6.675675  70.00741       7.542998  76.55452       15.08600  63.46030       15.08600  84.28996 8.948870  76.12736 9.908394  8.162598       13.35135  
1 1 1 36 29 12 o 79.70374 6.622763  69.66433       7.428638  76.91666       14.85728  62.41200       14.85728  84.25330 8.817030  75.15418 9.884531  9.099113       13.24553  
1 1 1 36 30 0  o 89.89995 8.704904  84.52161       15.38142  84.52161       15.38142  84.52161       15.38142  89.89995 8.704904  89.89995 8.704904  0.000000       0.000000  
1 1 1 36 30 1  o 52.03250 7.030059  29.01886       5.046137  33.74574       10.09227  24.29198       10.09227  57.00379 8.852283  47.06121 10.92355  9.942577       14.06012  
1 1 1 36 30 2  o 126.4506 3.177048  161.9672       5.656057  179.4404       11.31211  144.4939       11.31211  133.3597 4.241204  119.5415 4.731461  13.81826       6.354096  
1 1 1 36 30 3  o 119.3959 3.156313  144.0412       5.327272  148.7729       10.65454  139.3096       10.65454  121.3774 4.389017  117.4144 4.537155  3.962990       6.312626  
1 1 1 36 30 4  o 73.81406 5.544621  57.10855       5.636997  42.66583       11.27399  71.55127       11.27399  64.03088 8.803560  83.59724 6.743043  -19.56635      11.08924  
1 1 1 36 30 5  o 52.97146 8.089119  31.47284       6.194502  16.05806       12.38900  46.88762       12.38900  39.00995 13.26968  66.93296 9.254786  -27.92301      16.17824  
1 1 1 36 30 6  o 73.28221 6.138175  56.19367       6.361277  55.80770       12.72255  56.57963       12.72255  73.01886 8.711828  73.54556 8.649439  -0.5266953     12.27635  
1 1 1 36 30 7  o 157.6708 3.167147  251.9018       7.061733  248.9332       14.12347  254.8704       14.12347  156.7294 4.505684  158.6122 4.452201  -1.882767      6.334294  
1 1 1 36 30 8  o 57.04301 8.777372  37.58633       7.128443  23.82501       14.25689  51.34766       14.25689  45.09989 14.19137  68.98614 10.33315  -23.88625      17.55474  
1 1 1 36 30 9  o 23.97165 7.995657  -13.02275      7.123678  -7.928963      14.24736  -18.11654      14.24736  25.62405 11.83447  22.31926 10.75488  3.304790       15.99131  
1 1 1 36 30 10 o 103.2670 4.809259  111.4725       6.980727  97.86361       13.96145  125.0813       13.96145  96.67784 7.220608  109.8562 6.354425  -13.17831      9.618519  
1 1 1 36 30 11 o 36.27951 14.67135  12.44619       16.52503  12.44619       16.52503  ?              ?         36.27951 14.67135  ?        ?         ?              ?         
1 1 1 36 31 0  o 65.98158 13.55317  50.23264       15.81028  50.23264       15.81028  50.23264       15.81028  65.98158 13.55317  65.98158 13.55317  0.000000       0.000000  
1 1 1 36 31 1  o 51.89777 7.686177  29.56684       5.579817  20.49904       11.15963  38.63464       11.15963  42.96329 12.33593  60.83225 9.172465  -17.86895      15.37235  
1 1 1 36 31 2  o 100.0388 3.780372  101.7804       5.332037  110.8053       10.66407  92.75552       10.66407  104.5495 5.100012  95.52810 5.581643  9.021416       7.560745  
1 1 1 36 31 3  o 59.95227 6.831056  38.30585       5.632232  34.25083       11.26446  42.36086       11.26446  56.14260 10.42245  63.76194 8.833220  -7.619335      13.66211  
1 1 1 36 31 4  o 24.20630 7.599815  -8.519823      5.770417  5.260562       11.54083  -22.30021      11.54083  30.06094 12.22002  18.35167 9.038803  11.70928       15.19963  
1 1 1 36 31 5  o 56.75040 8.071135  36.64287       6.366043  52.69139       12.73209  20.59434       12.73209  70.79317 8.992455  42.70763 13.40555  28.08554       16.14227  
1 1 1 36 31 6  o 95.10843 4.917462  93.42262       6.604293  99.13110       13.20859  87.71416       13.20859  98.10946 6.731556  92.10740 7.170209  6.002060       9.834925  
1 1 1 36 31 7  o 49.78271 9.442663  29.00457       6.809187  26.35046       13.61837  31.65867       13.61837  47.41175 13.63190  52.15367 13.07008  -4.741913      18.88533  
1 1 1 36 31 8  o 56.45260 8.652906  36.64763       6.713887  33.97446       13.42777  39.32080       13.42777  54.11250 12.62599  58.79271 11.83535  -4.680210      17.30581  
1 1 1 36 31 9  o 116.1540 4.831892  140.6724       7.928963  147.7627       15.85793  133.5821       15.85793  119.2061 6.651475  113.1018 7.010464  6.104248       9.663785  
1 1 1 36 31 10 o 97.73167 5.680211  102.4333       7.776483  117.6384       15.55297  87.22813       15.55297  105.5107 7.370327  89.95266 8.645083  15.55803       11.36042  
1 1 1 36 31 11 o 38.05555 14.96869  16.16289       16.66798  16.16289       16.66798  ?              ?         38.05555 14.96869  ?        ?         ?              ?         
1 1 1 36 32 0  o 152.4543 5.882538  235.7151       17.87829  235.7151       17.87829  235.7151       17.87829  152.4543 5.882538  152.4543 5.882538  0.000000       0.000000  
1 1 1 36 32 1  o 33.13071 7.773620  1.615336       5.980077  25.23545       11.96015  -22.00478      11.96015  47.30804 12.46499  18.95337 9.291972  28.35468       15.54724  
1 1 1 36 32 2  o 27.95198 8.382502  0.4002601      5.994372  7.299983       11.98874  -6.499463      11.98874  31.80356 12.63603  24.10040 11.01799  7.703165       16.76500  
1 1 1 36 32 3  o 86.69472 5.322879  81.38148       6.027727  115.8086       12.05545  46.95433       12.05545  106.5501 5.657176  66.83934 9.018233  39.71076       10.64576  
1 1 1 36 32 4  o 89.29089 5.025177  82.58225       6.318392  91.11636       12.63678  74.04813       12.63678  94.06972 6.716713  84.51205 7.476321  9.557663       10.05035  
1 1 1 36 32 5  o 120.8682 3.797501  148.8873       6.489933  145.5517       12.97987  152.2227       12.97987  119.4884 5.431432  122.2480 5.308823  -2.759621      7.595002  
1 1 1 36 32 6  o 42.40401 9.287357  19.40785       6.847308  6.404162       13.69462  32.41154       13.69462  32.09952 13.22339  52.70851 13.04461  -20.60899      18.57471  
1 1 1 36 32 7  o 26.61617 8.545826  -8.943910      7.390518  -21.37580      14.78104  3.487981       14.78104  22.02767 10.68736  31.20466 13.33810  -9.176991      17.09165  
1 1 1 36 32 8  o 46.26013 10.43799  26.21704       7.700243  25.01626       15.40049  27.41782       15.40049  45.30478 14.79480  47.21548 14.72822  -1.910694      20.87598  
1 1 1 36 32 9  o 73.45818 7.611892  60.23915       7.905138  58.66670       15.81028  61.81160       15.81028  72.38787 10.92053  74.52848 10.60687  -2.140610      15.22378  
1 1 1 36 32 10 o 26.68025 12.35868  -7.185624      15.68639  -7.185624      15.68639  ?              ?         26.68025 12.35868  ?        ?         ?              ?         
1 1 1 36 33 0  o 88.68914 9.713293  83.78780       16.86811  83.78780       16.86811  83.78780       16.86811  88.68914 9.713293  88.68914 9.713293  0.000000       0.000000  
1 1 1 36 33 1  o 88.15151 4.923122  80.18545       6.137322  79.69942       12.27464  80.67149       12.27464  87.87583 6.984085  88.42719 6.940538  -0.5513611     9.846244  
1 1 1 36 33 2  o 34.02919 8.991179  10.49730       5.922898  14.35219       11.84580  6.642413       11.84580  36.99189 12.94657  31.06649 12.48004  5.925404       17.98236  
1 1 1 36 33 3  o 24.71355 7.997424  -6.485167      6.308862  -7.404812      12.61772  -5.565523      12.61772  24.32521 11.19686  25.10190 11.42215  -0.7766895     15.99485  
1 1 1 36 33 4  o 55.50377 8.307561  34.62727       6.451812  42.71348       12.90362  26.54106       12.90362  63.11663 10.22205  47.89090 13.09855  15.22573       16.61512  
1 1 1 36 33 5  o 31.19207 9.264340  4.850772       6.923548  5.270092       13.84710  4.431452       13.84710  31.43012 13.14676  30.95403 13.05660  0.4760857      18.52868  
1 1 1 36 33 6  f 113.9655 4.843379  136.2219       7.647829  166.5463       15.29566  105.8974       15.29566  127.2697 6.009151  100.6612 7.597590  26.60847       9.686757  
1 1 1 36 33 7  o 89.88344 5.891088  85.95110       7.466758  78.85126       14.93352  93.05096       14.93352  85.93396 8.688949  93.83292 7.957504  -7.898956      11.78218  
1 1 1 36 33 8  o 84.08421 7.477803  80.76202       8.152919  53.24413       16.30584  108.2799       16.30584  67.27921 12.58438  100.8892 8.081062  -33.60999      14.95561  
1 1 1 36 33 9  o 95.10077 6.315974  97.99226       8.486469  93.44169       16.97294  102.5429       16.97294  92.70827 9.153951  97.49328 8.704671  -4.785011      12.63195  
1 1 1 36 33 10 o 51.55071 14.94148  36.97641       16.29631  36.97641       16.29631  ?              ?         51.55071 14.94148  ?        ?         ?              ?         
1 1 1 36 34 0  o 26.56855 16.69698  6.995024       18.09748  6.995024       18.09748  6.995024       18.09748  26.56855 16.69698  26.56855 16.69698  0.000000       0.000000  
1 1 1 36 34 1  o 50.17130 7.300068  27.89909       6.161148  -0.2573101     12.32230  56.05548       12.32230  27.26074 11.92019  73.08185 8.430476  -45.82111      14.60014  
1 1 1 36 34 2  o 60.43895 7.726932  40.87895       6.342218  51.65262       12.68444  30.10528       12.68444  69.78791 9.087846  51.09000 12.49932  18.69791       15.45386  
1 1 1 36 34 3  o 28.28617 8.476498  -3.740526      6.699593  -19.66040      13.39919  12.17935       13.39919  20.98286 10.17890  35.58949 13.55706  -14.60663      16.95300  
1 1 1 36 34 4  f 37.40220 9.764543  14.34266       6.890193  11.34070       13.78039  17.34461       13.78039  35.20115 13.66311  39.60324 13.95366  -4.402088      19.52909  
1 1 1 36 34 5  o 36.59563 9.611249  11.39312       7.247568  23.16744       14.49514  -0.3812002     14.49514  44.22252 14.35267  28.96875 12.78692  15.25376       19.22250  
1 1 1 36 34 6  o 58.07747 8.813199  40.71218       7.700243  65.64266       15.40049  15.78169       15.40049  77.65473 9.916000  38.50021 14.57267  39.15452       17.62640  
1 1 1 36 34 7  o 34.39965 14.26285  9.063033       16.07712  9.063033       16.07712  ?              ?         34.39965 14.26285  ?        ?         ?              ?         
1 1 1 36 34 8  o 71.76362 8.750422  64.27035       8.224394  28.20881       16.44879  100.3319       16.44879  46.93274 15.29004  96.59449 8.514351  -49.66175      17.50084  
1 1 1 36 34 9  o 34.75909 14.42259  11.64566       16.45832  11.64566       16.45832  ?              ?         34.75909 14.42259  ?        ?         ?              ?         
1 1 1 36 35 0  o 93.99673 10.63662  95.45252       19.55557  95.45252       19.55557  95.45252       19.55557  93.99673 10.63662  93.99673 10.63662  0.000000       0.000000  
1 1 1 36 35 1  o 43.86434 9.071520  21.44728       6.685298  7.900373       13.37060  34.99417       13.37060  32.69648 13.20745  55.03219 12.43918  -22.33571      18.14304  
1 1 1 36 35 2  o 96.89403 5.072819  98.13998       6.890193  83.74967       13.78039  112.5303       13.78039  89.46822 7.701274  104.3198 6.604874  -14.85160      10.14564  
1 1 1 36 35 3  o 40.26435 9.868899  18.20707       6.914018  21.69029       13.82804  14.72386       13.82804  43.00578 14.01916  37.52293 13.89402  5.482849       19.73780  
1 1 1 36 35 4  o 39.92435 9.527796  16.93958       6.999787  5.355862       13.99957  28.52330       13.99957  31.30847 13.16342  48.54024 13.77824  -17.23177      19.05559  
1 1 1 36 35 5  o 35.41553 9.300728  6.304098       7.566823  26.65542       15.13365  -14.04722      15.13365  46.61174 14.61212  24.21933 11.51086  22.39240       18.60146  
1 1 1 36 35 6  o 67.47874 8.571201  53.06783       7.957553  59.69595       15.91511  46.43970       15.91511  72.94701 10.90868  62.01047 13.22357  10.93653       17.14240  
1 1 1 36 35 7  o 126.1223 5.064281  170.2106       8.767603  125.4434       17.53521  214.9778       17.53521  108.3747 8.090082  143.8698 6.094124  -35.49508      10.12856  
1 1 1 36 36 0  o 78.67949 19.32877  75.91601       26.31234  75.91601       26.31234  75.91601       26.31234  78.67949 19.32877  78.67949 19.32877  0.000000       0.000000  
1 1 1 36 36 1  o 102.5462 8.731928  110.9292       17.65910  110.9292       17.65910  110.9292       17.65910  102.5462 8.731928  102.5462 8.731928  0.000000       0.000000  
1 1 1 36 36 2  o 79.01080 14.64253  73.05701       20.88977  73.05701       20.88977  73.05701       20.88977  79.01080 14.64253  79.01080 14.64253  0.000000       0.000000  
1 1 1 36 36 3  o 31.86269 19.05085  16.13430       21.08990  16.13430       21.08990  16.13430       21.08990  31.86269 19.05085  31.86269 19.05085  0.000000       0.000000  
1 1 1 36 36 4  o 47.54631 21.09636  38.02472       21.03272  38.02472       21.03272  38.02472       21.03272  47.54631 21.09636  47.54631 21.09636  0.000000       0.000000  
1 1 1 37 0  1  o 119.8486 3.629333  144.1413       8.681833  144.1413       8.681833  144.1413       8.681833  119.8486 3.629333  119.8486 3.629333  0.000000       0.000000  
1 1 1 37 0  2  o 31.28691 11.37838  13.08470       6.528053  13.08470       6.528053  13.08470       6.528053  31.28691 11.37838  31.28691 11.37838  0.000000       0.000000  
1 1 1 37 0  3  o 34.38788 9.974699  14.50467       5.946723  14.50467       5.946723  14.50467       5.946723  34.38788 9.974699  34.38788 9.974699  0.000000       0.000000  
1 1 1 37 0  4  o 62.70094 6.181855  40.54063       7.614474  40.54063       7.614474  40.54063       7.614474  62.70094 6.181855  62.70094 6.181855  0.000000       0.000000  
1 1 1 37 0  5  o 227.9151 4.446495  520.7480       20.25126  520.7480       20.25126  520.7480       20.25126  227.9151 4.446495  227.9151 4.446495  0.000000       0.000000  
1 1 1 37 0  6  o 81.78172 7.646555  68.92099       12.30324  68.92099       12.30324  68.92099       12.30324  81.78172 7.646555  81.78172 7.646555  0.000000       0.000000  
1 1 1 37 0  7  o 23.08059 13.76329  6.175443       10.95950  6.175443       10.95950  6.175443       10.95950  23.08059 13.76329  23.08059 13.76329  0.000000       0.000000  
1 1 1 37 0  8  o 54.56116 10.87441  33.30736       10.54971  33.30736       10.54971  33.30736       10.54971  54.56116 10.87441  54.56116 10.87441  0.000000       0.000000  
1 1 1 37 0  9  o 31.24302 15.03308  14.74292       10.78796  14.74292       10.78796  14.74292       10.78796  31.24302 15.03308  31.24302 15.03308  0.000000       0.000000  
1 1 1 37 0  10 o 51.40045 15.45059  33.38360       13.81851  33.38360       13.81851  33.38360       13.81851  51.40045 15.45059  51.40045 15.45059  0.000000       0.000000  
1 1 1 37 0  11 o 165.1018 5.796486  275.1884       19.08860  275.1884       19.08860  275.1884       19.08860  165.1018 5.796486  165.1018 5.796486  0.000000       0.000000  
1 1 1 37 0  12 o 49.74286 22.24555  38.38685       23.38663  38.38685       23.38663  38.38685       23.38663  49.74286 22.24555  49.74286 22.24555  0.000000       0.000000  
1 1 1 37 0  13 o 117.9006 10.29806  145.5994       23.92984  145.5994       23.92984  145.5994       23.92984  117.9006 10.29806  117.9006 10.29806  0.000000       0.000000  
1 1 1 37 0  14 o 91.96458 11.82084  88.75292       21.81418  88.75292       21.81418  88.75292       21.81418  91.96458 11.82084  91.96458 11.82084  0.000000       0.000000  
1 1 1 37 0  15 o 26.03674 17.42435  -2.639811      24.23480  -2.639811      24.23480  -2.639811      24.23480  26.03674 17.42435  26.03674 17.42435  0.000000       0.000000  
1 1 1 37 0  16 o 49.44485 25.08725  44.73384       30.65802  44.73384       30.65802  44.73384       30.65802  49.44485 25.08725  49.44485 25.08725  0.000000       0.000000  
1 1 1 37 0  17 o 30.60914 18.63141  13.89474       20.92789  13.89474       20.92789  13.89474       20.92789  30.60914 18.63141  30.60914 18.63141  0.000000       0.000000  
1 1 1 37 1  0  o 82.55977 4.172394  68.74945       6.852073  68.74945       6.852073  68.74945       6.852073  82.55977 4.172394  82.55977 4.172394  0.000000       0.000000  
1 1 1 37 1  1  o 107.0609 1.750594  114.7365       2.649341  110.7863       5.298682  118.6867       5.298682  105.2161 2.518000  108.9057 2.432692  -3.689659      3.501188  
1 1 1 37 1  2  o 196.2590 1.574313  385.4124       4.369507  387.1755       8.739014  383.6494       8.739014  196.7082 2.221314  195.8099 2.231505  0.8983154      3.148627  
1 1 1 37 1  3  o 264.9244 1.810923  703.0521       6.775833  744.7221       13.55167  661.3823       13.55167  272.7889 2.483911  257.0599 2.635896  15.72900       3.621845  
1 1 1 37 1  4  o 100.4463 2.549704  101.1562       3.616637  107.4508       7.233273  94.86166       7.233273  103.5796 3.491649  97.31303 3.716498  6.266594       5.099409  
1 1 1 37 1  5  o 241.5493 2.245274  584.4227       7.666887  603.3350       15.33377  565.5104       15.33377  245.4641 3.123425  237.6346 3.226336  7.829575       4.490549  
1 1 1 37 1  6  o 289.5339 2.352263  840.1317       9.625304  805.0089       19.25061  875.2546       19.25061  283.4685 3.395546  295.5993 3.256200  -12.13083      4.704527  
1 1 1 37 1  7  o 47.51513 6.041462  23.69635       3.897772  30.21964       7.795544  17.17307       7.795544  54.72613 7.122323  40.30413 9.760613  14.42200       12.08292  
1 1 1 37 1  8  o 152.7710 2.438446  234.0616       5.265327  243.0914       10.53065  225.0320       10.53065  155.7263 3.381141  149.8158 3.514535  5.910583       4.876892  
1 1 1 37 1  9  o 107.3793 3.686961  116.6901       5.551227  99.28359       11.10245  134.0967       11.10245  99.27413 5.591816  115.4845 4.806903  -16.21035      7.373922  
1 1 1 37 1  10 o 94.45728 3.883787  90.13000       5.179556  96.03384       10.35911  84.22617       10.35911  97.58241 5.307880  91.33214 5.671122  6.250267       7.767574  
1 1 1 37 1  11 o 89.39220 3.708662  81.20516       4.641112  94.34704       9.282224  68.06329       9.282224  96.74289 4.797368  82.04152 5.657028  14.70137       7.417325  
1 1 1 37 1  12 o 65.70853 7.676917  45.74878       6.956903  49.42260       13.91381  42.07497       13.91381  68.98613 10.08450  62.43094 11.57770  6.555191       15.35383  
1 1 1 37 1  13 o 25.10267 8.104176  -7.886078      6.528053  -2.706521      13.05611  -13.06564      13.05611  27.22268 12.06044  22.98266 10.82850  4.240019       16.20835  
1 1 1 37 1  14 f 37.89303 8.971212  9.001089       7.109383  29.31429       14.21877  -11.31211      14.21877  50.90446 13.67320  24.88160 11.61784  26.02286       17.94242  
1 1 1 37 1  15 o 77.95608 7.370789  67.09122       7.481052  90.11571       14.96210  44.06674       14.96210  93.16363 8.030015  62.74853 12.36256  30.41510       14.74158  
1 1 1 37 1  16 o 28.49802 9.381735  -14.13299      9.468058  -26.15033      18.93612  -2.115661      18.93612  24.94469 12.10075  32.05136 14.34014  -7.106668      18.76347  
1 1 1 37 1  17 o 51.68475 16.93358  34.71780       20.17502  34.71780       20.17502  ?              ?         51.68475 16.93358  ?        ?         ?              ?         
1 1 1 37 2  0  o 166.3836 3.058049  277.2659       10.16851  277.2659       10.16851  277.2659       10.16851  166.3836 3.058049  166.3836 3.058049  0.000000       0.000000  
1 1 1 37 2  1  o 46.10064 3.687936  21.33768       2.401561  20.14643       4.803122  22.52893       4.803122  44.80863 5.359595  47.39265 5.067370  -2.584023      7.375873  
1 1 1 37 2  2  o 183.2961 1.593788  336.1947       4.131257  339.5922       8.262513  332.7973       8.262513  184.2229 2.242532  182.3694 2.265324  1.853531       3.187576  
1 1 1 37 2  3  o 176.8565 1.550792  312.9749       3.878712  314.1375       7.757423  311.8122       7.757423  177.1852 2.189071  176.5278 2.197224  0.6573944      3.101584  
1 1 1 37 2  4  o 69.66969 3.388690  48.75550       3.330736  52.65327       6.661473  44.85773       6.661473  72.46701 4.596210  66.87237 4.980736  5.594643       6.777380  
1 1 1 37 2  5  o 190.6275 2.165556  363.9032       5.837128  371.4891       11.67426  356.3173       11.67426  192.6173 3.030428  188.6378 3.094357  3.979446       4.331113  
1 1 1 37 2  6  o 117.6974 2.790111  138.9284       4.641112  133.1723       9.282224  144.6845       9.282224  115.2521 4.026923  120.1427 3.863000  -4.890602      5.580222  
1 1 1 37 2  7  o 167.8548 2.173785  283.9512       5.112847  328.0990       10.22569  239.8035       10.22569  181.0054 2.824693  154.7043 3.304917  26.30113       4.347570  
1 1 1 37 2  8  f 262.2194 2.383255  689.4243       8.834312  712.1200       17.66863  666.7286       17.66863  266.5470 3.314355  257.8918 3.425590  8.655212       4.766510  
1 1 1 37 2  9  o 142.7951 2.512959  204.5234       5.074727  204.0183       10.14945  205.0285       10.14945  142.6183 3.558259  142.9720 3.549456  -0.3537140     5.025918  
1 1 1 37 2  10 o 169.2423 2.584187  287.5869       6.184973  289.8360       12.36995  285.3379       12.36995  169.9068 3.640216  168.5778 3.668912  1.328918       5.168374  
1 1 1 37 2  11 o 90.08321 4.555132  83.31129       5.694177  101.5327       11.38835  65.08993       11.38835  100.1968 5.682991  79.96957 7.120430  20.22726       9.110264  
1 1 1 37 2  12 o 114.5918 4.151733  133.0246       6.728183  133.0389       13.45637  133.0103       13.45637  114.5980 5.871117  114.5855 5.871756  0.1247406E-01  8.303466  
1 1 1 37 2  13 o 48.97980 7.911716  25.51659       6.461343  48.13605       12.92269  2.897121       12.92269  67.90272 9.515588  30.05689 12.64257  37.84583       15.82343  
1 1 1 37 2  14 o 80.07991 5.843036  66.50037       6.585233  59.20991       13.17047  73.79082       13.17047  75.52792 8.718938  84.63189 7.781029  -9.103966      11.68607  
1 1 1 37 2  15 o 24.67086 8.090734  -12.77497      7.014082  -24.10138      14.02816  -1.448561      14.02816  20.77809 10.15605  28.56363 12.59740  -7.785545      16.18147  
1 1 1 37 2  16 f 90.93015 7.523371  89.97277       9.606244  101.3421       19.21249  78.60348       19.21249  97.18181 9.884818  84.67848 11.34437  12.50333       15.04674  
1 1 1 37 3  0  o 67.37554 5.158930  46.25864       6.871132  46.25864       6.871132  46.25864       6.871132  67.37554 5.158930  67.37554 5.158930  0.000000       0.000000  
1 1 1 37 3  1  o 139.5552 1.666238  195.2888       3.278321  212.9956       6.556643  177.5821       6.556643  145.8992 2.246977  133.2112 2.460995  12.68799       3.332476  
1 1 1 37 3  2  o 39.52478 4.453101  16.07712       2.396796  13.10376       4.793592  19.05048       4.793592  35.48531 7.003655  43.56425 5.501750  -8.078941      8.906202  
1 1 1 37 3  3  o 233.4900 1.701844  547.2224       5.594112  487.2501       11.18822  607.1946       11.18822  220.6474 2.535317  246.3326 2.270959  -25.68518      3.403688  
1 1 1 37 3  4  o 95.75850 2.530438  92.96519       3.364091  72.63769       6.728183  113.2927       6.728183  85.14455 3.951035  106.3724 3.162559  -21.22788      5.060875  
1 1 1 37 3  5  o 80.23463 3.165418  64.60390       3.588047  67.98705       7.176094  61.22075       7.176094  82.34292 4.357444  78.12634 4.592621  4.216583       6.330836  
1 1 1 37 3  6  o 168.9953 2.119383  286.0049       5.065197  287.1867       10.13039  284.8232       10.13039  169.3449 2.991053  168.6457 3.003455  0.6992493      4.238766  
1 1 1 37 3  7  o 99.09676 2.917265  98.50689       4.088372  98.50212       8.176744  98.51164       8.176744  99.09436 4.125736  99.09916 4.125536  -0.4798889E-02 5.834531  
1 1 1 37 3  8  o 153.6103 2.441512  236.5680       5.303447  233.0658       10.60689  240.0703       10.60689  152.4703 3.478348  154.7503 3.427100  -2.279968      4.883023  
1 1 1 37 3  9  o 203.8636 2.238380  416.8995       6.447048  395.6000       12.89410  438.1991       12.89410  198.6397 3.245599  209.0876 3.083419  -10.44794      4.476761  
1 1 1 37 3  10 o 34.71439 7.123211  9.777783       4.669702  -4.345681      9.339403  23.90125       9.339403  22.13607 9.980603  47.29272 10.16603  -25.15664      14.24642  
1 1 1 37 3  11 o 43.52856 8.176012  20.54193       5.127142  22.02384       10.25428  19.06001       10.25428  45.05574 11.37177  42.00139 11.75038  3.054348       16.35202  
1 1 1 37 3  12 o 63.81739 7.890663  44.21922       6.780598  30.85815       13.56120  57.58028       13.56120  52.90579 12.91202  74.72900 9.073584  -21.82320      15.78133  
1 1 1 37 3  13 o 140.0790 3.221774  198.2670       6.380337  192.5251       12.76067  204.0088       12.76067  138.0295 4.622445  142.1285 4.489133  -4.098999      6.443549  
1 1 1 37 3  14 o 120.0990 4.994414  147.8628       8.481703  145.1896       16.96341  150.5359       16.96341  118.9861 7.128313  121.2119 6.997416  -2.225807      9.988828  
1 1 1 37 3  15 o 67.11426 8.456455  50.28030       7.705008  62.81225       15.41002  37.74835       15.41002  76.94702 10.01339  57.28149 13.63006  19.66553       16.91291  
1 1 1 37 3  16 o 92.70984 6.941061  92.32668       9.086859  97.76831       18.17372  86.88505       18.17372  95.64461 9.500649  89.77508 10.12181  5.869530       13.88212  
1 1 1 37 3  18 o 38.05828 12.30663  17.22072       10.66407  17.22072       10.66407  ?              ?         38.05828 12.30663  ?        ?         ?              ?         
1 1 1 37 4  0  o 22.95378 11.04450  7.824133       5.822832  7.824133       5.822832  7.824133       5.822832  22.95378 11.04450  22.95378 11.04450  0.000000       0.000000  
1 1 1 37 4  1  o 111.1365 1.835952  123.9663       2.873296  110.7958       5.746593  137.1367       5.746593  105.2111 2.730981  117.0619 2.454511  -11.85072      3.671905  
1 1 1 37 4  2  f 135.0727 1.644892  182.6473       3.140136  175.1996       6.280273  190.0950       6.280273  132.3157 2.373214  137.8296 2.278275  -5.513840      3.289785  
1 1 1 37 4  3  o 156.3503 1.606610  245.6025       3.530867  214.4727       7.061733  276.7322       7.061733  146.3951 2.411874  166.3054 2.123122  -19.91028      3.213220  
1 1 1 37 4  4  o 238.1678 1.891824  567.8262       6.370807  554.9226       12.74161  580.7299       12.74161  235.4589 2.705698  240.8768 2.644841  -5.417892      3.783647  
1 1 1 37 4  5  o 123.9872 2.253583  154.2384       3.940656  167.4136       7.881313  141.0631       7.881313  129.3003 3.047678  118.6740 3.320572  10.62628       4.507166  
1 1 1 37 4  6  o 227.7878 2.120175  519.7092       6.828248  533.0607       13.65650  506.3577       13.65650  230.7185 2.959559  224.8570 3.036706  5.861420       4.240350  
1 1 1 37 4  7  o 165.2435 2.183528  273.6874       5.098552  261.0078       10.19710  286.3671       10.19710  161.4068 3.158821  169.0802 3.015465  -7.673325      4.367055  
1 1 1 37 4  8  o 155.4869 2.320531  243.3391       5.069962  211.6995       10.13992  274.9787       10.13992  145.3125 3.489006  165.6612 3.060440  -20.34872      4.641062  
1 1 1 37 4  9  o 88.06625 3.730237  78.99421       4.564872  62.22140       9.129744  95.76701       9.129744  78.54342 5.811909  97.58909 4.677646  -19.04567      7.460473  
1 1 1 37 4  10 o 86.91635 3.826270  76.20667       4.703057  75.56340       9.406114  76.84995       9.406114  86.54630 5.434152  87.28641 5.388075  -0.7401123     7.652539  
1 1 1 37 4  11 f 52.58807 6.944184  29.14752       5.046137  32.32578       10.09227  25.96926       10.09227  56.06215 9.000969  49.11399 10.57683  6.948162       13.88837  
1 1 1 37 4  12 o 62.30907 7.471685  42.60389       6.146852  25.81678       12.29370  59.39098       12.29370  48.48262 12.57465  76.13551 8.073569  -27.65288      14.94337  
1 1 1 37 4  13 f 77.44724 5.654261  63.41741       5.937192  43.35199       11.87438  83.48283       11.87438  64.49299 9.205951  90.40149 6.567583  -25.90850      11.30852  
1 1 1 37 4  14 o 62.30278 8.701362  45.13410       7.857488  14.43796       15.71498  75.83025       15.71498  39.33884 14.76263  85.26672 9.215187  -45.92788      17.40272  
1 1 1 37 4  15 o 28.94636 9.429625  -9.587184      8.982028  -7.395282      17.96406  -11.77909      17.96406  29.69381 13.54295  28.19891 13.12477  1.494907       18.85925  
1 1 1 37 4  16 o 54.65592 10.53021  36.17113       9.148804  54.56880       18.29761  17.77346       18.29761  68.07169 13.92063  41.24015 15.80372  26.83153       21.06042  
1 1 1 37 4  17 o 31.39402 14.37528  -5.622702      20.49904  -5.622702      20.49904  ?              ?         31.39402 14.37528  ?        ?         ?              ?         
1 1 1 37 4  18 o 59.43876 9.283995  43.53783       7.614474  38.74900       15.22895  48.32665       15.22895  55.47928 13.77166  63.39824 12.45438  -7.918957      18.56799  
1 1 1 37 5  0  o 153.6211 3.319262  236.4870       10.18757  236.4870       10.18757  236.4870       10.18757  153.6211 3.319262  153.6211 3.319262  0.000000       0.000000  
1 1 1 37 5  1  o 158.0150 1.612920  249.9434       3.602341  240.3371       7.204682  259.5497       7.204682  154.9753 2.324462  161.0546 2.236720  -6.079330      3.225839  
1 1 1 37 5  2  o 235.9635 1.767944  557.8674       5.889543  595.5681       11.77909  520.1667       11.77909  243.9522 2.414220  227.9749 2.583418  15.97734       3.535888  
1 1 1 37 5  3  o 205.5359 1.575429  422.7223       4.579167  426.7917       9.158334  418.6531       9.158334  206.5258 2.217237  204.5459 2.238698  1.979874       3.150859  
1 1 1 37 5  4  o 156.7325 1.863914  245.8789       4.131257  243.3105       8.262513  248.4472       8.262513  155.9131 2.649717  157.5518 2.622157  -1.638672      3.727829  
1 1 1 37 5  5  o 30.87727 6.813548  9.539534       3.330736  11.35023       6.661473  7.728833       6.661473  33.09256 9.540361  28.66197 9.730325  4.430595       13.62710  
1 1 1 37 5  6  o 44.01243 5.725399  21.70935       3.711936  2.744641       7.423873  40.67405       7.423873  24.42538 9.851746  63.59948 5.836426  -39.17411      11.45080  
1 1 1 37 5  7  o 53.30216 5.835250  30.93916       3.978776  16.46785       7.957553  45.41047       7.957553  39.44387 10.05502  67.16046 5.924285  -27.71659      11.67050  
1 1 1 37 5  8  o 130.6940 2.549711  171.2780       4.712587  170.6157       9.425174  171.9403       9.425174  130.4407 3.612821  130.9474 3.598839  -0.5067596     5.099423  
1 1 1 37 5  9  o 71.91257 4.600977  52.87722       4.598227  41.73189       9.196454  64.02257       9.196454  64.16335 7.166439  79.66180 5.772185  -15.49846      9.201955  
1 1 1 37 5  10 o 25.62886 7.644786  -0.4669706     4.965132  -6.518523      9.930264  5.584582       9.930264  21.88262 10.01387  29.37510 11.55394  -7.492483      15.28957  
1 1 1 37 5  11 o 72.67865 5.165180  53.96842       5.284387  48.09793       10.56877  59.83890       10.56877  68.63999 7.698701  76.71731 6.888129  -8.077316      10.33036  
1 1 1 37 5  12 o 43.63345 9.379941  20.54192       6.337452  17.65910       12.67490  23.42475       12.67490  41.04193 13.42191  46.22497 13.10670  -5.183037      18.75988  
1 1 1 37 5  13 o 92.28580 5.873251  88.81010       7.562057  104.9921       15.12411  72.62816       15.12411  101.0531 7.483252  83.51850 9.054351  17.53460       11.74650  
1 1 1 37 5  14 f 96.11583 4.985992  95.95761       6.632883  73.83847       13.26577  118.0767       13.26577  84.60933 7.839423  107.6223 6.163110  -23.01300      9.971984  
1 1 1 37 5  15 o 38.02067 9.044341  8.986794       7.328573  30.72473       14.65715  -12.75115      14.65715  51.43077 13.91299  24.61056 11.55980  26.82021       18.08868  
1 1 1 37 5  16 o 129.5304 4.289405  173.0410       7.828898  189.5804       15.65780  156.5017       15.65780  135.9148 5.760152  123.1461 6.357407  12.76868       8.578810  
1 1 1 37 5  17 o 92.55172 6.191404  92.05507       8.033793  79.03231       16.06759  105.0778       16.06759  85.51633 9.394456  99.58711 8.067102  -14.07079      12.38281  
1 1 1 37 5  18 o 35.51307 12.95014  14.47608       11.96015  14.47608       11.96015  ?              ?         35.51307 12.95014  ?        ?         ?              ?         
1 1 1 37 6  0  o 231.1077 3.413964  534.8524       15.77216  534.8524       15.77216  534.8524       15.77216  231.1077 3.413964  231.1077 3.413964  0.000000       0.000000  
1 1 1 37 6  1  o 144.8723 1.665451  210.0461       3.411741  206.1531       6.823483  213.9391       6.823483  143.5287 2.377045  146.2159 2.333359  -2.687210      3.330901  
1 1 1 37 6  2  o 167.2662 1.614955  280.3632       3.812001  301.5103       7.624003  259.2161       7.624003  173.5876 2.196010  160.9449 2.368514  12.64276       3.229910  
1 1 1 37 6  3  o 204.6791 1.690644  419.2392       4.893657  422.0077       9.787313  416.4707       9.787313  205.3554 2.383019  204.0028 2.398818  1.352570       3.381288  
1 1 1 37 6  4  o 214.7868 1.649969  462.2004       5.003252  430.9849       10.00650  493.4160       10.00650  207.5201 2.410972  222.0534 2.253175  -14.53323      3.299937  
1 1 1 37 6  5  o 120.3326 2.212329  145.0324       3.764351  147.7627       7.528703  142.3020       7.528703  121.4671 3.099070  119.1981 3.158062  2.268997       4.424658  
1 1 1 37 6  6  o 108.0493 2.531945  117.8528       3.826297  97.79689       7.652593  137.9087       7.652593  98.76835 3.874011  117.3302 3.261137  -18.56181      5.063889  
1 1 1 37 6  7  o 138.1206 2.329918  191.2005       4.550577  187.9317       9.101154  194.4693       9.101154  136.9373 3.323109  139.3039 3.266653  -2.366608      4.659837  
1 1 1 37 6  8  o 41.07725 7.314219  17.92117       4.383801  11.51224       8.767603  24.33010       8.767603  34.07137 11.16304  48.08313 9.453981  -14.01176      14.62844  
1 1 1 37 6  9  o 124.7997 2.842087  156.5208       5.012782  163.0583       10.02556  149.9832       10.02556  127.4189 3.934096  122.1805 4.102769  5.238464       5.684173  
1 1 1 37 6  10 o 89.38080 4.382589  80.93356       5.527402  87.09470       11.05480  74.77241       11.05480  92.82737 5.954496  85.93423 6.432131  6.893143       8.765178  
1 1 1 37 6  11 o 152.5287 3.132460  234.2713       6.756773  236.3251       13.51355  232.2176       13.51355  153.2019 4.410371  151.8555 4.449476  1.346451       6.264919  
1 1 1 37 6  12 o 158.8619 3.003419  254.1176       6.747242  257.2053       13.49448  251.0298       13.49448  159.8337 4.221414  157.8901 4.273380  1.943649       6.006839  
1 1 1 37 6  13 o 161.0258 3.280974  262.0941       7.471523  260.7886       14.94305  263.3997       14.94305  160.6204 4.651666  161.4312 4.628302  -0.8108215     6.561948  
1 1 1 37 6  14 o 79.38425 7.848612  68.98293       8.262513  88.78152       16.52503  49.18435       16.52503  92.32955 8.948937  66.43895 12.89649  25.89060       15.69722  
1 1 1 37 6  15 o 149.4591 4.008203  231.4218       8.267279  288.3970       16.53456  174.4467       16.53456  168.5196 4.905827  130.3987 6.340002  38.12088       8.016406  
1 1 1 37 6  16 o 115.2849 6.564984  142.0638       10.69266  135.1926       21.38533  148.9349       21.38533  112.3049 9.521105  118.2650 9.041275  -5.960129      13.12997  
1 1 1 37 6  17 o 50.84358 9.643657  31.46807       7.114148  34.98465       14.22830  27.95150       14.22830  53.90693 13.26890  47.78024 13.99774  6.126682       19.28731  
1 1 1 37 6  18 o 95.77618 6.644350  102.4618       8.967733  93.53699       17.93547  111.3867       17.93547  91.11695 9.842004  100.4354 8.928857  -9.318451      13.28870  
1 1 1 37 7  0  o 54.46528 7.262811  31.31559       7.690712  31.31559       7.690712  31.31559       7.690712  54.46528 7.262811  54.46528 7.262811  0.000000       0.000000  
1 1 1 37 7  1  o 242.4339 1.730884  588.9447       5.922898  631.2007       11.84580  546.6887       11.84580  251.1488 2.358322  233.7189 2.534197  17.42992       3.461768  
1 1 1 37 7  2  o 77.53493 2.510803  60.33445       2.744641  54.88330       5.489282  65.78561       5.489282  74.01964 3.707991  81.05022 3.386346  -7.030586      5.021606  
1 1 1 37 7  3  o 309.4136 1.926362  958.2753       8.429289  961.1771       16.85858  955.3734       16.85858  309.8825 2.720156  308.9447 2.728414  0.9378662      3.852725  
1 1 1 37 7  4  o 236.6548 1.771562  562.1464       5.903837  502.4314       11.80767  621.8613       11.80767  224.0383 2.635191  249.2713 2.368438  -25.23297      3.543124  
1 1 1 37 7  5  o 114.0837 2.367213  131.7380       3.759587  158.3791       7.519173  105.0969       7.519173  125.7598 2.989497  102.4076 3.671199  23.35225       4.734426  
1 1 1 37 7  6  f 93.43713 3.009734  87.62362       3.974012  83.67343       7.948023  91.57381       7.948023  91.32332 4.351585  95.55096 4.159050  -4.227638      6.019467  
1 1 1 37 7  7  o 72.70526 3.945508  53.58245       4.012132  44.50512       8.024263  62.65977       8.024263  66.46271 6.036666  78.94781 5.082005  -12.48510      7.891015  
1 1 1 37 7  8  o 166.2219 2.436837  277.0324       5.727532  282.4312       11.45506  271.6337       11.45506  167.8459 3.412376  164.5979 3.479711  3.247910       4.873674  
1 1 1 37 7  9  o 44.51707 7.360449  21.25191       4.560107  19.45074       9.120214  23.05308       9.120214  42.57317 10.71211  46.46097 10.09730  -3.887798      14.72090  
1 1 1 37 7  10 o 84.63728 5.074564  72.89024       6.061082  67.49149       12.12216  78.28899       12.12216  81.44794 7.441665  87.82663 6.901190  -6.378693      10.14913  
1 1 1 37 7  11 o 32.58254 8.744772  -0.7052208     6.947372  20.22267       13.89474  -21.63311      13.89474  43.62736 14.04168  21.53772 10.42667  22.08964       17.48954  
1 1 1 37 7  12 o 139.6636 3.502282  197.2568       6.899723  213.4149       13.79945  181.0987       13.79945  145.4483 4.743763  133.8790 5.153701  11.56932       7.004565  
1 1 1 37 7  13 o 67.89168 6.809181  49.51790       6.184973  36.71910       12.36995  62.31670       12.36995  58.05196 11.05207  77.73139 7.956853  -19.67944      13.61836  
1 1 1 37 7  14 o 31.45935 9.395234  0.6480400      7.557293  -9.348933      15.11459  10.64501       15.11459  26.50396 12.22121  36.41474 14.27318  -9.910778      18.79047  
1 1 1 37 7  15 o 52.33770 8.890121  28.66625       8.438819  59.41005       16.87764  -2.077541      16.87764  73.98579 11.40600  30.68962 13.63965  43.29617       17.78024  
1 1 1 37 7  16 o 113.4853 5.841426  135.7406       9.367994  129.9702       18.73599  141.5110       18.73599  110.9430 8.443974  116.0277 8.073930  -5.084732      11.68285  
1 1 1 37 7  17 o 48.07947 9.036117  27.81332       6.699593  40.32145       13.39919  15.30519       13.39919  58.89635 11.79156  37.26258 13.69543  21.63376       18.07223  
1 1 1 37 7  18 f 31.38873 13.22999  8.024263       14.19971  8.024263       14.19971  ?              ?         31.38873 13.22999  ?        ?         ?              ?         
1 1 1 37 8  0  o 116.7501 4.170542  136.9747       9.711073  136.9747       9.711073  136.9747       9.711073  116.7501 4.170542  116.7501 4.170542  0.000000       0.000000  
1 1 1 37 8  1  o 106.0896 2.026728  112.6828       3.040071  115.4655       6.080142  109.9000       6.080142  107.4011 2.830577  104.7781 2.901438  2.623032       4.053456  
1 1 1 37 8  2  o 59.00936 3.298668  34.98465       2.744641  38.08190       5.489282  31.88739       5.489282  61.63373 4.453148  56.38499 4.867681  5.248745       6.597336  
1 1 1 37 8  3  o 168.1838 1.738948  283.0888       4.136022  284.2896       8.272044  281.8880       8.272044  168.5408 2.454018  167.8268 2.464458  0.7139893      3.477896  
1 1 1 37 8  4  o 231.2584 1.912000  535.4814       6.251682  522.0060       12.50336  548.9568       12.50336  228.3449 2.737825  234.1719 2.669698  -5.827011      3.823999  
1 1 1 37 8  5  f 126.1397 2.304078  159.4560       4.107431  152.6992       8.214863  166.2128       8.214863  123.4615 3.326894  128.8180 3.188553  -5.356583      4.608155  
1 1 1 37 8  6  o 104.0637 2.563589  109.0757       3.745291  124.1950       7.490582  93.95631       7.490582  111.3282 3.364190  96.79927 3.869132  14.52892       5.127178  
1 1 1 37 8  7  o 50.33458 5.883117  26.25516       4.050251  22.11914       8.100503  30.39118       8.100503  45.85524 9.156723  54.81391 7.389094  -8.958668      11.76623  
1 1 1 37 8  8  o 150.7264 2.551516  228.1721       5.427337  245.2070       10.85467  211.1372       10.85467  156.3774 3.470667  145.0755 3.741043  11.30186       5.103032  
1 1 1 37 8  9  o 129.5739 2.703041  168.7954       4.946072  179.1927       9.892144  158.3982       9.892144  133.5860 3.702539  125.5618 3.939154  8.024170       5.406083  
1 1 1 37 8  10 f 40.95947 7.811102  18.03553       4.674467  14.83822       9.348933  21.23285       9.348933  37.52397 11.42944  44.39497 10.64993  -6.870998      15.62220  
1 1 1 37 8  11 o 125.7359 3.753316  160.5186       6.623353  137.9849       13.24671  183.0523       13.24671  116.7751 5.671886  134.6966 4.917239  -17.92145      7.506632  
1 1 1 37 8  12 o 60.83926 6.520131  38.30585       5.608407  37.31949       11.21681  39.29220       11.21681  60.02863 9.342887  61.64988 9.097191  -1.621246      13.04026  
1 1 1 37 8  13 o 82.24380 6.305123  71.10336       7.180858  87.10423       14.36172  55.10249       14.36172  91.97152 7.807697  72.51610 9.902432  19.45542       12.61025  
1 1 1 37 8  14 o 102.0630 5.407342  107.4603       7.795544  113.3499       15.59109  101.5708       15.59109  104.9482 7.427989  99.17773 7.860175  5.770500       10.81468  
1 1 1 37 8  15 o 101.3237 5.430328  106.6646       7.781249  107.0791       15.56250  106.2500       15.56250  101.5282 7.664124  101.1191 7.695134  0.4091415      10.86066  
1 1 1 37 8  16 o 59.15663 8.677818  41.43169       7.404812  18.95518       14.80962  63.90820       14.80962  41.08704 14.46649  77.22622 9.588470  -36.13918      17.35564  
1 1 1 37 8  17 o 41.51569 13.13037  20.75635       12.18888  20.75635       12.18888  ?              ?         41.51569 13.13037  ?        ?         ?              ?         
1 1 1 37 8  18 o 26.01752 11.53615  1.458091       11.97921  1.458091       11.97921  ?              ?         26.01752 11.53615  ?        ?         ?              ?         
1 1 1 37 9  0  o 186.7326 3.567740  349.3509       13.31342  349.3509       13.31342  349.3509       13.31342  186.7326 3.567740  186.7326 3.567740  0.000000       0.000000  
1 1 1 37 9  1  o 232.7881 1.758445  542.5955       5.784712  566.7207       11.56942  518.4703       11.56942  237.9699 2.430859  227.6063 2.541543  10.36362       3.516890  
1 1 1 37 9  2  o 109.4232 2.109998  120.1352       3.254497  108.9470       6.508993  131.3235       6.508993  104.3108 3.120000  114.5355 2.841474  -10.22475      4.219997  
1 1 1 37 9  3  o 140.6464 1.742354  198.0430       3.464156  191.4196       6.928313  204.6664       6.928313  138.2918 2.504961  143.0011 2.422469  -4.709244      3.484708  
1 1 1 37 9  4  o 199.4550 1.733757  398.5400       4.884127  421.8933       9.768253  375.1867       9.768253  205.3093 2.378912  193.6007 2.522783  11.70854       3.467515  
1 1 1 37 9  5  o 95.82303 2.395284  92.19326       3.235436  100.7321       6.470873  83.65437       6.470873  100.2786 3.226449  91.36748 3.541125  8.911095       4.790567  
1 1 1 37 9  6  o 191.4361 2.019122  367.0957       5.465457  374.9485       10.93091  359.2430       10.93091  193.4870 2.824715  189.3851 2.885897  4.101990       4.038244  
1 1 1 37 9  7  f 90.05614 2.913293  81.64355       3.692876  90.73517       7.385753  72.55192       7.385753  95.10389 3.882992  85.00839 4.344132  10.09550       5.826587  
1 1 1 37 9  8  o 51.14649 6.326330  28.37559       4.283737  40.84560       8.567473  15.90558       8.567473  63.55824 6.739861  38.73475 10.70813  24.82349       12.65266  
1 1 1 37 9  9  o 168.9934 2.343645  286.9341       5.589347  265.5250       11.17869  308.3433       11.17869  162.6591 3.436234  175.3277 3.187943  -12.66864      4.687290  
1 1 1 37 9  10 o 92.62903 4.169416  86.89458       5.455927  82.29159       10.91185  91.49757       10.91185  90.14439 6.052431  95.11367 5.736218  -4.969276      8.338832  
1 1 1 37 9  11 o 28.20519 8.126546  1.076890       5.532167  -7.843193      11.06433  9.996975       11.06433  22.68988 10.46015  33.72049 12.43979  -11.03061      16.25309  
1 1 1 37 9  12 o 54.28510 8.116532  32.29718       6.046787  37.01453       12.09357  27.57983       12.09357  58.58979 10.71944  49.98040 12.19041  8.609390       16.23306  
1 1 1 37 9  13 o 127.4646 3.703931  164.9501       6.656708  150.3930       13.31342  179.5071       13.31342  121.7543 5.467329  133.1748 4.998474  -11.42050      7.407862  
1 1 1 37 9  14 o 30.84028 9.470084  -1.505741      7.928963  6.928313       15.85793  -9.939795      15.85793  34.66080 14.24576  27.01976 12.48152  7.641035       18.94017  
1 1 1 37 9  15 o 77.96321 5.017778  62.92662       5.513107  57.05613       11.02621  68.79710       11.02621  74.19830 7.430233  81.72812 6.745667  -7.529816      10.03556  
1 1 1 37 9  16 o 57.22471 8.612591  37.81029       6.771068  43.51400       13.54214  32.10658       13.54214  62.15019 11.31313  52.29923 12.98922  9.850960       17.22518  
1 1 1 37 9  17 o 47.19375 13.53812  27.51312       13.44684  27.51312       13.44684  ?              ?         47.19375 13.53812  ?        ?         ?              ?         
1 1 1 37 9  18 o 41.26287 14.15694  25.26404       14.10441  25.26404       14.10441  ?              ?         41.26287 14.15694  ?        ?         ?              ?         
1 1 1 37 10 0  o 125.7420 3.766640  158.6841       9.453763  158.6841       9.453763  158.6841       9.453763  125.7420 3.766640  125.7420 3.766640  0.000000       0.000000  
1 1 1 37 10 1  o 200.0771 1.711386  400.6890       4.841242  410.7908       9.682484  390.5872       9.682484  202.6016 2.389538  197.5527 2.450608  5.048950       3.422772  
1 1 1 37 10 2  o 124.4287 2.005266  157.1784       3.454626  120.4116       6.909253  193.9451       6.909253  109.6544 3.150466  139.2029 2.481720  -29.54848      4.010533  
1 1 1 37 10 3  o 75.12076 2.880166  56.64157       3.054366  60.52505       6.108732  52.75810       6.108732  77.70558 3.930691  72.53594 4.210831  5.169640       5.760332  
1 1 1 37 10 4  o 250.9756 1.792332  630.5574       6.361277  623.4623       12.72255  637.6525       12.72255  249.5621 2.548976  252.3891 2.520425  -2.827011      3.584664  
1 1 1 37 10 5  o 175.1918 1.848801  307.3522       4.579167  298.5941       9.158334  316.1102       9.158334  172.6923 2.651634  177.6914 2.577034  -4.999130      3.697603  
1 1 1 37 10 6  o 150.0907 2.183220  226.0993       4.622052  207.3252       9.244103  244.8734       9.244103  143.8365 3.213408  156.3450 2.956316  -12.50851      4.366440  
1 1 1 37 10 7  o 59.85628 4.262852  36.76675       3.507041  26.90320       7.014082  46.63031       7.014082  51.61692 6.794364  68.09564 5.150170  -16.47873      8.525704  
1 1 1 37 10 8  o 84.87666 3.176556  72.44232       3.812001  74.28638       7.624003  70.59827       7.624003  85.96297 4.434469  83.79034 4.549452  2.172630       6.353112  
1 1 1 37 10 9  o 193.1184 2.429008  375.0056       6.613823  341.4982       13.22765  408.5132       13.22765  184.4431 3.585834  201.7938 3.277515  -17.35075      4.858016  
1 1 1 37 10 10 o 39.72147 7.915322  15.91987       5.241503  4.278972       10.48301  27.56077       10.48301  28.84310 11.67659  50.59985 10.68955  -21.75675      15.83064  
1 1 1 37 10 11 o 87.07362 5.159228  77.96497       6.270743  92.09795       12.54149  63.83197       12.54149  95.18916 6.587665  78.95807 7.941864  16.23109       10.31846  
1 1 1 37 10 12 o 63.57557 6.659629  42.89455       5.765652  50.39466       11.53130  35.39443       11.53130  69.88554 8.250136  57.26560 10.45648  12.61993       13.31926  
1 1 1 37 10 13 o 139.0768 4.042468  196.6373       7.943258  206.4294       15.88652  186.8452       15.88652  142.5972 5.570419  135.5564 5.859746  7.040787       8.084935  
1 1 1 37 10 14 o 26.18536 7.845116  -0.9196449     5.365392  7.280923       10.73078  -9.120214      10.73078  30.87428 12.04180  21.49644 10.05875  9.377840       15.69023  
1 1 1 37 10 15 o 63.41868 6.656262  42.61818       5.961017  45.14363       11.92203  40.09273       11.92203  65.40977 9.113344  61.42759 9.704137  3.982185       13.31252  
1 1 1 37 10 16 o 51.71903 8.164619  30.91057       6.118262  43.54259       12.23652  18.27855       12.23652  63.53662 9.629504  39.90144 13.18775  23.63518       16.32924  
1 1 1 37 10 17 o 77.43742 7.779063  68.57790       8.105268  53.71110       16.21054  83.44471       16.21054  67.36157 12.50100  87.51328 9.261759  -20.15170      15.55813  
1 1 1 37 11 0  o 142.7755 3.599462  204.4281       10.26381  204.4281       10.26381  204.4281       10.26381  142.7755 3.599462  142.7755 3.599462  0.000000       0.000000  
1 1 1 37 11 1  f 123.4181 1.945417  152.5753       3.392681  159.7705       6.785362  145.3802       6.785362  126.3331 2.685505  120.5032 2.815429  5.829895       3.890833  
1 1 1 37 11 2  o 49.39462 4.478443  25.49752       2.920946  17.46850       5.841892  33.52655       5.841892  41.00039 7.394434  57.78884 5.054516  -16.78845      8.956885  
1 1 1 37 11 3  o 175.2673 1.662894  307.4570       4.121727  308.3719       8.243454  306.5421       8.243454  175.5283 2.348183  175.0063 2.355187  0.5220032      3.325789  
1 1 1 37 11 4  o 122.9660 1.923357  151.5271       3.340266  160.5424       6.680532  142.5117       6.680532  126.6318 2.637778  119.3002 2.799883  7.331604       3.846715  
1 1 1 37 11 5  o 130.6783 2.133005  172.7504       3.883476  206.8106       7.766953  138.6902       7.766953  143.7104 2.702293  117.6463 3.300977  26.06416       4.266009  
1 1 1 37 11 6  f 102.7067 2.432138  105.9736       3.521337  96.21492       7.042673  115.7324       7.042673  97.95590 3.594818  107.4575 3.276959  -9.501549      4.864275  
1 1 1 37 11 7  f 46.11527 6.149469  23.25321       3.854887  10.84515       7.709774  35.66127       7.709774  32.78881 10.45020  59.44173 6.485152  -26.65293      12.29894  
1 1 1 37 11 8  o 119.8961 2.624785  144.4320       4.445747  152.1465       8.891494  136.7174       8.891494  123.1133 3.611103  116.6789 3.810240  6.434349       5.249571  
1 1 1 37 11 9  o 213.5706 2.128551  457.6546       6.423223  435.4068       12.84645  479.9024       12.84645  208.3621 3.082721  218.7792 2.935939  -10.41707      4.257101  
1 1 1 37 11 10 o 74.70084 4.146284  56.48909       4.379037  58.00914       8.758074  54.96906       8.758074  75.71825 5.783331  73.68342 5.943043  2.034836       8.292567  
1 1 1 37 11 11 o 52.19513 5.726151  27.91815       4.226557  27.60842       8.453114  28.22787       8.453114  51.89843 8.143901  52.49183 8.051837  -0.5933952     11.45230  
1 1 1 37 11 12 o 100.5098 3.234496  102.2665       4.583931  93.27015       9.167863  111.2628       9.167863  96.03449 4.773214  104.9852 4.366266  -8.950684      6.468992  
1 1 1 37 11 13 o 68.72250 4.957761  50.29459       4.512457  30.61990       9.024914  69.96929       9.024914  54.40791 8.293752  83.03710 5.434266  -28.62919      9.915522  
1 1 1 37 11 14 o 54.66805 6.931735  35.30866       5.498813  5.689413       10.99763  64.92791       10.99763  29.86409 12.01336  79.47200 6.919182  -49.60791      13.86347  
1 1 1 37 11 15 o 58.35215 8.112572  38.03901       6.542348  30.70568       13.08470  45.37235       13.08470  51.60983 12.73742  65.09446 10.05055  -13.48463      16.22514  
1 1 1 37 11 16 o 48.18384 9.090718  27.31299       7.066498  10.93091       14.13300  43.69507       14.13300  34.76840 13.74930  61.59928 11.89628  -26.83088      18.18144  
1 1 1 37 11 17 o 54.73457 9.816410  37.16225       7.614474  38.02472       15.22895  36.29978       15.22895  55.46389 13.77400  54.00525 13.99016  1.458641       19.63282  
1 1 1 37 12 0  o 55.55271 8.271739  32.34483       8.796194  32.34483       8.796194  32.34483       8.796194  55.55271 8.271739  55.55271 8.271739  0.000000       0.000000  
1 1 1 37 12 1  o 201.0837 1.725879  404.7249       4.907952  406.1021       9.815904  403.3479       9.815904  201.4261 2.436601  200.7413 2.444914  0.6848145      3.451757  
1 1 1 37 12 2  o 209.2743 1.665379  438.4517       4.927012  452.1987       9.854024  424.7046       9.854024  212.5588 2.317953  205.9899 2.391871  6.568909       3.330759  
1 1 1 37 12 3  o 138.6846 1.931257  192.8778       3.778647  177.4582       7.557293  208.2973       7.557293  133.1254 2.838413  144.2438 2.619625  -11.11844      3.862515  
1 1 1 37 12 4  o 361.2776 2.309940  1308.684       11.78861  1236.813       23.57723  1380.555       23.57723  351.3309 3.355417  371.2243 3.175604  -19.89346      4.619879  
1 1 1 37 12 5  o 73.10825 3.309285  53.68727       3.421271  54.38773       6.842543  52.98682       6.842543  73.58730 4.649269  72.62919 4.710601  0.9581070      6.618570  
1 1 1 37 12 6  o 82.58867 2.888457  68.44926       3.373621  68.07281       6.747242  68.82569       6.747242  82.36077 4.096151  82.81656 4.073607  -0.4557877     5.776914  
1 1 1 37 12 7  o 104.6155 2.628587  110.0906       3.873947  121.2026       7.747893  98.97862       7.747893  109.9263 3.524130  99.30459 3.901075  10.62174       5.257174  
1 1 1 37 12 8  o 103.5292 2.955271  107.7557       4.326622  106.4025       8.653244  109.1090       8.653244  102.8756 4.205684  104.1827 4.152917  -1.307129      5.910541  
1 1 1 37 12 9  o 54.44520 5.761342  30.84862       4.293266  35.48973       8.586533  26.20751       8.586533  59.06211 7.269071  49.82829 8.940516  9.233826       11.52268  
1 1 1 37 12 10 o 93.83276 3.479738  89.00071       4.602992  97.09167       9.205984  80.90973       9.205984  98.14413 4.690032  89.52138 5.141779  8.622757       6.959476  
1 1 1 37 12 11 o 125.4541 2.994925  158.4935       5.312977  161.1905       10.62595  155.7965       10.62595  126.5290 4.199020  124.3792 4.271597  2.149780       5.989851  
1 1 1 37 12 12 o 171.7215 2.522742  296.8739       6.123027  285.4045       12.24605  308.3433       12.24605  168.3820 3.636390  175.0611 3.497653  -6.679031      5.045484  
1 1 1 37 12 13 o 56.47305 6.690284  34.35566       5.093787  43.07561       10.18757  25.63571       10.18757  64.60940 7.883972  48.33670 10.81122  16.27270       13.38057  
1 1 1 37 12 14 o 45.35936 8.513372  22.91013       6.094438  9.968384       12.18888  35.85188       12.18888  33.77863 12.91190  56.94008 11.09923  -23.16145      17.02674  
1 1 1 37 12 15 f 25.18120 8.015456  -4.617287      6.127792  -10.18757      12.25558  0.9530004      12.25558  22.66491 10.63196  27.69749 11.99798  -5.032581      16.03091  
1 1 1 37 12 16 o 126.0497 4.422242  164.5593       7.876549  157.0545       15.75310  172.0642       15.75310  123.0728 6.399912  129.0267 6.104589  -5.953911      8.844483  
1 1 1 37 12 17 o 55.57244 14.98070  39.71152       17.03012  39.71152       17.03012  ?              ?         55.57244 14.98070  ?        ?         ?              ?         
1 1 1 37 13 0  o 77.52988 5.887540  61.30651       9.024914  61.30651       9.024914  61.30651       9.024914  77.52988 5.887540  77.52988 5.887540  0.000000       0.000000  
1 1 1 37 13 1  o 107.2644 2.257162  115.4131       3.416506  124.2045       6.833013  106.6217       6.833013  111.3624 3.067916  103.1664 3.311646  8.196022       4.514323  
1 1 1 37 13 2  o 73.79535 3.045506  54.62598       3.178256  54.11136       6.356512  55.14060       6.356512  73.44667 4.327298  74.14404 4.286597  -0.6973648     6.091012  
1 1 1 37 13 3  o 159.7785 1.892059  255.6566       4.274207  248.9428       8.548413  262.3705       8.548413  157.6775 2.710726  161.8795 2.640363  -4.202011      3.784118  
1 1 1 37 13 4  o 77.50712 2.922061  60.40116       3.192551  54.81658       6.385102  65.98575       6.385102  73.90450 4.319834  81.10974 3.936089  -7.205246      5.844122  
1 1 1 37 13 5  o 60.24524 4.039287  36.55233       3.440331  35.48021       6.880662  37.62445       6.880662  59.35544 5.796152  61.13503 5.627430  -1.779594      8.078573  
1 1 1 37 13 6  o 146.0610 2.059823  214.0344       4.245616  230.2258       8.491233  197.8429       8.491233  151.6037 2.800471  140.5182 3.021399  11.08543       4.119647  
1 1 1 37 13 7  o 154.3820 2.110606  239.0935       4.602992  252.0114       9.205984  226.1756       9.205984  158.5657 2.902892  150.1982 3.064611  8.367523       4.221211  
1 1 1 37 13 8  o 103.6799 3.099059  108.7516       4.502927  125.4720       9.005854  92.03124       9.005854  111.7433 4.029706  95.61638 4.709368  16.12695       6.198119  
1 1 1 37 13 9  o 117.6709 2.872482  140.0958       4.736412  118.4294       9.472824  161.7623       9.472824  108.4645 4.366786  126.8773 3.733066  -18.41277      5.744963  
1 1 1 37 13 10 o 175.8259 2.334430  310.4494       5.803772  304.1215       11.60754  316.7773       11.60754  174.0264 3.334995  177.6254 3.267423  -3.598984      4.668859  
1 1 1 37 13 11 o 123.5977 2.982943  154.0096       5.208147  162.3627       10.41630  145.6566       10.41630  126.9768 4.101652  120.2186 4.332232  6.758263       5.965886  
1 1 1 37 13 12 o 86.92323 4.098405  76.81183       5.036607  74.69617       10.07321  78.92749       10.07321  85.70625 5.876593  88.14020 5.714313  -2.433945      8.196811  
1 1 1 37 13 13 o 103.0092 4.105028  107.9845       5.980077  107.8034       11.96015  108.1655       11.96015  102.9213 5.810338  103.0971 5.800431  -0.1757813     8.210056  
1 1 1 37 13 14 o 56.61331 7.596948  35.36108       5.860952  35.81376       11.72190  34.90840       11.72190  57.01223 10.67514  56.21440 10.81184  0.7978249      15.19390  
1 1 1 37 13 15 o 70.08475 6.801634  52.81052       6.718653  48.14558       13.43731  57.47545       13.43731  66.75668 10.06439  73.41281 9.151881  -6.656136      13.60327  
1 1 1 37 13 16 o 79.92674 6.374737  69.00675       7.128443  58.19020       14.25689  79.82330       14.25689  73.16020 9.743608  86.69329 8.222602  -13.53309      12.74947  
1 1 1 37 13 17 o 26.48216 11.77869  -0.4574402     12.60820  -0.4574402     12.60820  ?              ?         26.48216 11.77869  ?        ?         ?              ?         
1 1 1 37 14 0  o 79.85439 6.047813  65.05180       9.549064  65.05180       9.549064  65.05180       9.549064  79.85439 6.047813  79.85439 6.047813  0.000000       0.000000  
1 1 1 37 14 1  o 80.56033 2.849282  65.66650       3.202081  53.28225       6.404162  78.05073       6.404162  72.87402 4.393995  88.24665 3.628558  -15.37263      5.698564  
1 1 1 37 14 2  o 54.86844 3.894885  30.27682       3.021011  29.27617       6.042023  31.27747       6.042023  53.95658 5.598968  55.78031 5.415910  -1.823730      7.789771  
1 1 1 37 14 3  o 78.35996 2.928656  61.61147       3.244966  62.85991       6.489933  60.36305       6.489933  79.15656 4.099428  77.56336 4.183633  1.593201       5.857311  
1 1 1 37 14 4  o 209.7929 1.798976  440.7579       5.336802  448.4724       10.67360  433.0434       10.67360  211.6315 2.521742  207.9543 2.566334  3.677216       3.597951  
1 1 1 37 14 5  o 87.71096 3.051643  77.25975       3.783412  80.08062       7.566823  74.43886       7.566823  89.31902 4.235841  86.10291 4.394058  3.216110       6.103286  
1 1 1 37 14 6  o 84.21169 2.863071  71.42738       3.392681  79.62318       6.785362  63.23158       6.785362  89.07787 3.808669  79.34549 4.275834  9.732384       5.726143  
1 1 1 37 14 7  o 75.56923 3.779193  58.15208       3.978776  69.55950       7.957553  46.74467       7.957553  83.11689 4.786965  68.02157 5.849287  15.09532       7.558385  
1 1 1 37 14 8  f 212.8088 2.059964  454.0714       6.199268  459.5559       12.39854  448.5868       12.39854  214.0974 2.895536  211.5202 2.930815  2.577209       4.119928  
1 1 1 37 14 9  o 102.4976 3.213224  107.0553       4.574402  130.0750       9.148804  84.03558       9.148804  113.7270 4.022267  91.26816 5.012046  22.45880       6.426448  
1 1 1 37 14 10 o 201.7504 2.266408  409.0230       6.456578  435.0352       12.91316  383.0109       12.91316  208.1970 3.101186  195.3038 3.305915  12.89323       4.532817  
1 1 1 37 14 11 o 165.2726 2.620086  274.9120       6.123027  280.3727       12.24605  269.4513       12.24605  166.9246 3.668140  163.6205 3.742213  3.304062       5.240172  
1 1 1 37 14 12 o 90.34467 4.491298  83.27795       5.732297  78.93702       11.46459  87.61886       11.46459  87.94225 6.518252  92.74709 6.180569  -4.804848      8.982596  
1 1 1 37 14 13 o 181.1088 2.756572  330.7721       7.056968  342.4321       14.11394  319.1122       14.11394  184.3279 3.828487  177.8898 3.967045  6.438095       5.513144  
1 1 1 37 14 14 o 159.2764 2.868175  256.6668       6.451812  241.3950       12.90362  271.9387       12.90362  154.4823 4.176410  164.0705 3.932342  -9.588242      5.736350  
1 1 1 37 14 15 o 35.86919 9.389852  11.30735       6.775833  1.772581       13.55167  20.84212       13.55167  29.29316 12.65181  42.44521 13.87836  -13.15204      18.77970  
1 1 1 37 14 16 o 36.93071 8.855790  11.10246       6.790127  -7.118913      13.58025  29.32383       13.58025  24.88523 11.51644  48.97620 13.45629  -24.09097      17.71158  
1 1 1 37 14 17 o 21.94272 10.56626  -14.46655      13.69462  -14.46655      13.69462  ?              ?         21.94272 10.56626  ?        ?         ?              ?         
1 1 1 37 15 0  o 231.5028 3.760659  537.0634       17.40179  537.0634       17.40179  537.0634       17.40179  231.5028 3.760659  231.5028 3.760659  0.000000       0.000000  
1 1 1 37 15 1  o 29.33752 5.765922  6.856837       3.183021  17.27790       6.366043  -3.564222      6.366043  40.61934 8.123316  18.05570 8.185058  22.56363       11.53184  
1 1 1 37 15 2  o 235.5398 1.905419  555.5849       6.346982  553.4645       12.69396  557.7054       12.69396  235.0897 2.699814  235.9899 2.689515  -0.9002228     3.810838  
1 1 1 37 15 3  o 72.45074 3.614073  55.99829       3.368856  29.79079       6.737713  82.20581       6.737713  54.36432 6.196815  90.53718 3.720964  -36.17286      7.228146  
1 1 1 37 15 4  o 173.1638 1.882077  300.7717       4.598227  324.4871       9.196454  277.0563       9.196454  180.0115 2.554408  166.3161 2.764752  13.69537       3.764154  
1 1 1 37 15 5  o 103.0650 2.609375  106.5597       3.802472  103.9723       7.604944  109.1471       7.604944  101.8098 3.734879  104.3202 3.645000  -2.510445      5.218749  
1 1 1 37 15 6  o 154.6098 2.112042  239.6510       4.617287  234.7812       9.234573  244.5208       9.234573  153.0349 3.017147  156.1847 2.956300  -3.149765      4.224084  
1 1 1 37 15 7  o 51.68304 5.083011  27.25105       3.688112  23.52005       7.376224  30.98204       7.376224  48.07354 7.671812  55.29254 6.670180  -7.218998      10.16602  
1 1 1 37 15 8  o 115.9880 2.539001  135.1212       4.164612  136.4697       8.329224  133.7726       8.329224  116.5693 3.572648  115.4067 3.608640  1.162621       5.078001  
1 1 1 37 15 9  o 148.8996 2.546130  223.4262       5.336802  248.0374       10.67360  198.8150       10.67360  157.1639 3.395692  140.6352 3.794785  16.52875       5.092261  
1 1 1 37 15 10 o 79.62306 4.131537  64.44666       4.626817  72.11354       9.253633  56.77976       9.253633  84.43755 5.479572  74.80857 6.184875  9.628983       8.263074  
1 1 1 37 15 11 o 91.75940 3.689319  85.38406       4.784062  89.08647       9.568124  81.68166       9.568124  93.77686 5.101538  89.74194 5.330910  4.034912       7.378637  
1 1 1 37 15 12 o 137.9449 3.052810  192.8301       5.918132  168.1760       11.83626  217.4842       11.83626  129.0087 4.587391  146.8811 4.029199  -17.87244      6.105620  
1 1 1 37 15 13 o 65.39880 6.565033  46.72561       5.598877  30.43883       11.19775  63.01239       11.19775  52.54250 11.00952  78.25509 7.154650  -25.71259      13.13007  
1 1 1 37 15 14 o 60.24232 7.209855  39.26361       6.013433  40.66453       12.02687  37.86271       12.02687  61.85695 9.721515  58.62770 10.64989  3.229256       14.41971  
1 1 1 37 15 15 o 64.14896 7.819646  46.25387       6.813953  55.91254       13.62791  36.59521       13.62791  72.16992 9.441541  56.12799 12.46775  16.04193       15.63929  
1 1 1 37 15 16 o 36.68460 13.68932  14.80962       13.47543  14.80962       13.47543  ?              ?         36.68460 13.68932  ?        ?         ?              ?         
1 1 1 37 15 17 o 40.12947 13.84418  22.88154       13.50401  22.88154       13.50401  ?              ?         40.12947 13.84418  ?        ?         ?              ?         
1 1 1 37 16 0  o 67.08252 7.327187  46.83044       9.625304  46.83044       9.625304  46.83044       9.625304  67.08252 7.327187  67.08252 7.327187  0.000000       0.000000  
1 1 1 37 16 1  o 170.5079 1.806324  291.1416       4.355212  296.0115       8.710423  286.2718       8.710423  171.9359 2.533044  169.0798 2.575832  2.856079       3.612647  
1 1 1 37 16 2  o 137.8929 1.984131  190.4619       3.869182  189.1229       7.738363  191.8009       7.738363  137.4074 2.815847  138.3784 2.796087  -0.9710236     3.968261  
1 1 1 37 16 3  o 194.1930 1.888615  378.0219       5.179556  400.8987       10.35911  355.1451       10.35911  200.0833 2.588701  188.3028 2.750653  11.78043       3.777230  
1 1 1 37 16 4  f 188.6951 1.879136  358.0375       4.984192  403.3479       9.968384  312.7271       9.968384  200.7014 2.483387  176.6889 2.820886  24.01250       3.758272  
1 1 1 37 16 5  o 213.2156 1.958580  455.5914       5.903837  442.2112       11.80767  468.9715       11.80767  210.0779 2.810308  216.3533 2.728794  -6.275406      3.917161  
1 1 1 37 16 6  o 28.86561 6.392624  5.636997       3.654756  16.18195       7.309513  -4.907952      7.309513  38.94113 9.464528  18.79009 8.595654  20.15104       12.78525  
1 1 1 37 16 7  o 127.7775 2.549267  164.1114       4.598227  175.5141       9.196454  152.7088       9.196454  132.2395 3.477197  123.3156 3.728828  8.923836       5.098535  
1 1 1 37 16 8  o 113.6785 2.794503  130.0131       4.488632  123.7376       8.977263  136.2886       8.977263  110.9183 4.046790  116.4387 3.854930  -5.520393      5.589006  
1 1 1 37 16 9  o 108.0438 3.082910  118.3150       4.664937  99.51230       9.329873  137.1177       9.329873  99.34236 4.695818  116.7452 3.995827  -17.40285      6.165821  
1 1 1 37 16 10 o 273.5835 2.263680  751.6552       8.758074  745.4370       17.51615  757.8736       17.51615  272.4471 3.214597  274.7200 3.188001  -2.272919      4.527359  
1 1 1 37 16 11 o 101.5426 3.428497  104.3250       4.922247  101.7233       9.844495  106.9266       9.844495  100.2615 4.909407  102.8237 4.787075  -2.562157      6.856993  
1 1 1 37 16 12 o 135.3829 2.952292  185.0584       5.646527  194.7647       11.29305  175.3521       11.29305  138.9677 4.063194  131.7982 4.284222  7.169510       5.904583  
1 1 1 37 16 13 o 49.47120 7.577053  27.40829       5.865717  48.17417       11.73143  6.642413       11.73143  67.86096 8.643728  31.08143 12.44720  36.77953       15.15411  
1 1 1 37 16 14 o 39.16320 7.191209  7.199918       6.294568  39.44469       12.58914  -25.04485      12.58914  59.50451 10.99156  18.82190 9.275752  40.68260       14.38242  
1 1 1 37 16 15 o 61.92554 8.308975  44.10486       7.056968  54.10183       14.11394  34.10788       14.11394  70.45772 10.01589  53.39338 13.26040  17.06434       16.61795  
1 1 1 37 16 16 o 39.24655 14.07033  18.02124       14.06629  18.02124       14.06629  ?              ?         39.24655 14.07033  ?        ?         ?              ?         
1 1 1 37 17 0  o 164.2804 3.874091  270.7570       12.71302  270.7570       12.71302  270.7570       12.71302  164.2804 3.874091  164.2804 3.874091  0.000000       0.000000  
1 1 1 37 17 1  o 193.6882 1.987718  375.9157       5.441632  390.4252       10.88326  361.4063       10.88326  197.4337 2.756182  189.9426 2.864883  7.491119       3.975436  
1 1 1 37 17 2  o 50.37148 4.841421  25.66430       3.440331  23.60582       6.880662  27.72278       6.880662  48.32817 7.118687  52.41478 6.563667  -4.086601      9.682842  
1 1 1 37 17 3  o 144.6147 2.040039  209.6077       4.169377  218.5039       8.338754  200.7114       8.338754  147.6905 2.823050  141.5388 2.945748  6.151703       4.080079  
1 1 1 37 17 4  o 81.14479 3.212988  66.22400       3.683347  69.65480       7.366693  62.79320       7.366693  83.25879 4.423974  79.03079 4.660647  4.227997       6.425977  
1 1 1 37 17 5  o 182.4106 2.026475  333.7550       5.222442  350.9043       10.44488  316.6058       10.44488  187.1113 2.791089  177.7098 2.938747  9.401474       4.052950  
1 1 1 37 17 6  o 60.58385 4.216654  37.10031       3.611871  36.15683       7.223743  38.04378       7.223743  59.80521 6.039393  61.36250 5.886122  -1.557297      8.433309  
1 1 1 37 17 7  o 55.68691 5.303230  31.87786       4.116962  25.81678       8.233924  37.93895       8.233924  50.24480 8.193807  61.12902 6.734873  -10.88421      10.60646  
1 1 1 37 17 8  o 107.9814 3.070412  117.3858       4.688762  116.9522       9.377523  117.8194       9.377523  107.7806 4.350285  108.1822 4.334136  -0.4015732     6.140824  
1 1 1 37 17 9  o 95.75335 3.660397  92.79842       4.941307  84.43583       9.882613  101.1610       9.882613  91.38662 5.407036  100.1201 4.935380  -8.733459      7.320794  
1 1 1 37 17 10 o 134.1351 2.688490  181.2797       5.093787  191.4959       10.18757  171.0636       10.18757  137.9433 3.692668  130.3270 3.908468  7.616333       5.376980  
1 1 1 37 17 11 o 35.02301 8.290983  12.61773       4.836477  12.54149       9.672954  12.69396       9.672954  34.94946 11.72522  35.09655 11.72522  -0.1470909     16.58197  
1 1 1 37 17 12 o 88.09604 4.198135  79.35158       5.198617  89.22942       10.39723  69.47373       10.39723  93.70234 5.548012  82.48974 6.302137  11.21260       8.396271  
1 1 1 37 17 13 o 41.98760 8.912284  19.90341       5.727532  21.76653       11.45506  18.04030       11.45506  43.76600 12.47626  40.20921 12.73021  3.556789       17.82457  
1 1 1 37 17 14 o 36.02451 9.170602  10.12086       6.861602  -4.250381      13.72320  24.49211       13.72320  26.55580 12.02902  45.49321 13.84567  -18.93741      18.34120  
1 1 1 37 17 15 o 41.08012 8.571508  12.99416       7.347633  -14.47608      14.69527  40.46439       14.69527  23.65918 11.28330  58.50106 12.90621  -34.84188      17.14302  
1 1 1 37 17 16 o 57.19707 9.760410  41.08861       7.990908  29.53348       15.98182  52.64375       15.98182  47.85239 15.01899  66.54176 12.46965  -18.68936      19.52082  
1 1 1 37 18 0  o 103.1951 5.096445  107.5652       10.46395  107.5652       10.46395  107.5652       10.46395  103.1951 5.096445  103.1951 5.096445  0.000000       0.000000  
1 1 1 37 18 1  o 309.2477 2.223813  958.7375       9.720604  994.3891       19.44121  923.0857       19.44121  315.0119 3.085789  303.4834 3.203010  11.52853       4.447625  
1 1 1 37 18 2  o 90.00317 2.963991  81.38146       3.769116  85.44601       7.538233  77.31693       7.538233  92.26118 4.085268  87.74517 4.295526  4.516006       5.927981  
1 1 1 37 18 3  o 163.7073 2.080236  269.4180       4.793592  299.3660       9.587184  239.4699       9.587184  172.8542 2.773200  154.5605 3.101434  18.29364       4.160472  
1 1 1 37 18 4  o 61.33865 4.152424  38.02948       3.597576  35.86140       7.195153  40.19756       7.195153  59.57135 6.039105  63.10595 5.700851  -3.534603      8.304849  
1 1 1 37 18 5  o 113.6004 2.613506  129.5985       4.197967  126.7490       8.395933  132.4480       8.395933  112.3462 3.736634  114.8546 3.655028  -2.508339      5.227013  
1 1 1 37 18 6  o 32.51762 6.404213  8.257749       3.997837  21.85230       7.995674  -5.336802      7.995674  45.39794 9.127228  19.63731 8.986073  25.76062       12.80843  
1 1 1 37 18 7  o 106.3321 2.922333  113.7644       4.393332  110.7577       8.786663  116.7711       8.786663  104.9183 4.187384  107.7460 4.077491  -2.827660      5.844665  
1 1 1 37 18 8  o 53.57945 6.472836  31.90169       4.531517  15.90558       9.063033  47.89780       9.063033  38.51218 11.13618  68.64673 6.601213  -30.13455      12.94567  
1 1 1 37 18 9  o 19.87788 6.604295  -9.701546      4.760237  -6.928313      9.520474  -12.47478      9.520474  21.01071 9.692478  18.74505 8.973444  2.265659       13.20859  
1 1 1 37 18 10 o 120.0005 3.129292  145.8805       5.284387  162.4198       10.56877  129.3412       10.56877  126.8919 4.164480  113.1092 4.671936  13.78271       6.258584  
1 1 1 37 18 11 o 126.5329 3.072127  162.8487       5.432102  191.4101       10.86420  134.2873       10.86420  137.8191 3.941473  115.2468 4.713453  22.57232       6.144253  
1 1 1 37 18 12 o 87.54808 4.703158  78.79884       5.789477  88.31455       11.57895  69.28313       11.57895  92.98264 6.226407  82.11352 7.050578  10.86912       9.406317  
1 1 1 37 18 13 o 146.8638 2.932002  218.1322       6.089673  218.2943       12.17935  217.9702       12.17935  146.9190 4.144920  146.8087 4.148034  0.1103058      5.864004  
1 1 1 37 18 14 o 37.09573 8.011036  3.549926       6.885427  34.81310       13.77085  -27.71325      13.77085  54.68894 12.80301  19.50252 9.632744  35.18642       16.02207  
1 1 1 37 18 15 o 70.43037 6.817208  54.11613       6.790127  53.88265       13.58025  54.34961       13.58025  70.26462 9.663651  70.59614 9.618272  -0.3315201     13.63442  
1 1 1 37 18 16 o 49.67194 13.64896  31.63008       13.97099  31.63008       13.97099  ?              ?         49.67194 13.64896  ?        ?         ?              ?         
1 1 1 37 19 0  o 98.17785 5.244155  97.53959       10.23522  97.53959       10.23522  97.53959       10.23522  98.17785 5.244155  98.17785 5.244155  0.000000       0.000000  
1 1 1 37 19 1  o 274.6852 2.039160  756.5489       7.914669  720.6493       15.82934  792.4484       15.82934  268.1505 2.951577  281.2198 2.814406  -13.06934      4.078320  
1 1 1 37 19 2  o 49.75597 5.802489  27.21769       3.730997  13.71367       7.461993  40.72171       7.461993  35.99583 10.00852  63.51611 5.874095  -27.52027      11.60498  
1 1 1 37 19 3  o 95.73058 2.895374  92.87941       3.869182  109.9381       7.738363  75.82070       7.738363  104.6403 3.697601  86.82084 4.456513  17.81949       5.790748  
1 1 1 37 19 4  o 102.4025 2.754026  105.3447       3.988307  104.7538       7.976613  105.9355       7.976613  102.1140 3.905739  102.6910 3.883793  -0.5770035     5.508053  
1 1 1 37 19 5  o 172.3079 2.060771  298.2034       5.008017  323.5150       10.01603  272.8917       10.01603  179.6528 2.787609  164.9630 3.035843  14.68980       4.121542  
1 1 1 37 19 6  o 29.09918 7.273769  7.438168       3.840591  4.021661       7.681183  10.85467       7.681183  25.62470 10.13535  32.57366 10.43579  -6.948965      14.54754  
1 1 1 37 19 7  o 88.60298 3.697618  79.29916       4.631582  76.86901       9.263164  81.72931       9.263164  87.23161 5.309523  89.97436 5.147669  -2.742752      7.395236  
1 1 1 37 19 8  o 17.88333 6.039182  -11.99351      4.331387  -7.242803      8.662774  -16.74422      8.662774  19.64671 9.132650  16.11995 7.904528  3.526754       12.07836  
1 1 1 37 19 9  o 79.64812 4.228457  65.00892       4.698292  52.91058       9.396584  77.10726       9.396584  72.05325 6.520583  87.24298 5.385295  -15.18974      8.456915  
1 1 1 37 19 10 o 58.96696 6.955835  39.18738       5.312977  58.79060       10.62595  19.58416       10.62595  75.77146 7.011845  42.16247 12.01535  33.60899       13.91167  
1 1 1 37 19 11 o 126.0598 3.271552  160.6759       5.832363  161.0666       11.66473  160.2851       11.66473  126.2148 4.620982  125.9048 4.632358  0.3099518      6.543105  
1 1 1 37 19 12 o 101.8320 4.444954  107.4317       6.280273  130.7993       12.56055  84.06416       12.56055  113.3056 5.542775  90.35840 6.950403  22.94717       8.889908  
1 1 1 37 19 13 o 118.4828 3.895273  143.9841       6.480402  163.3633       12.96080  124.6048       12.96080  126.6609 5.116342  110.3047 5.875002  16.35617       7.790546  
1 1 1 37 19 14 o 48.74077 9.590093  28.45659       6.866368  26.19798       13.73274  30.71520       13.73274  46.74545 13.77012  50.73610 13.35153  -3.990646      19.18019  
1 1 1 37 19 15 o 54.22799 9.596282  36.25214       7.357163  33.94588       14.71433  38.55840       14.71433  52.24393 13.85368  56.21205 13.28270  -3.968121      19.19256  
1 1 1 37 19 16 o 61.51194 9.192775  50.99981       8.057619  31.19170       16.11524  70.80793       16.11524  45.84021 15.13422  77.18368 10.43954  -31.34347      18.38555  
1 1 1 37 20 0  o 184.9188 3.827637  343.1278       14.14252  343.1278       14.14252  343.1278       14.14252  184.9188 3.827637  184.9188 3.827637  0.000000       0.000000  
1 1 1 37 20 1  o 75.32253 3.763941  57.85189       3.940656  45.67731       7.881313  70.02647       7.881313  67.24089 5.860506  83.40415 4.724772  -16.16326      7.527882  
1 1 1 37 20 2  o 63.29841 4.152297  40.68835       3.688112  34.90840       7.376224  46.46830       7.376224  58.73277 6.279479  67.86404 5.434560  -9.131275      8.304595  
1 1 1 37 20 3  o 56.27544 4.864110  32.15423       3.864417  30.00045       7.728833  34.30801       7.728833  54.36184 7.108694  58.18905 6.641140  -3.827213      9.728220  
1 1 1 37 20 4  o 49.75526 5.696678  25.24974       4.007367  25.91208       8.014733  24.58741       8.014733  50.42086 7.947835  49.08967 8.163361  1.331188       11.39336  
1 1 1 37 20 5  o 74.54716 4.480062  59.08602       4.369507  84.28336       8.739014  33.88869       8.739014  91.44743 4.778162  57.64691 7.579776  33.80051       8.960125  
1 1 1 37 20 6  o 125.7247 2.565343  158.9366       4.555342  168.2046       9.110683  149.6687       9.110683  129.4105 3.520072  122.0388 3.732698  7.371613       5.130686  
1 1 1 37 20 7  o 87.11311 3.935831  77.57899       4.769767  61.70678       9.539534  93.45122       9.539534  78.00299 6.114851  96.22324 4.956981  -18.22025      7.871662  
1 1 1 37 20 8  o 138.1040 2.851665  192.0534       5.565523  183.6813       11.13105  200.4255       11.13105  135.0729 4.120384  141.1351 3.943401  -6.062195      5.703330  
1 1 1 37 20 9  o 101.3859 3.558757  104.4584       5.074727  116.8760       10.14945  92.04078       10.14945  107.5098 4.720245  95.26197 5.327128  12.24785       7.117515  
1 1 1 37 20 10 o 27.15219 7.822155  3.197316       4.831712  -0.4288501     9.663424  6.823483       9.663424  24.55893 10.64635  29.74545 11.46297  -5.186520      15.64431  
1 1 1 37 20 11 o 59.52458 7.186376  39.24455       5.660822  24.14903       11.32164  54.34008       11.32164  46.50259 12.07017  72.54658 7.803019  -26.04399      14.37275  
1 1 1 37 20 12 o 153.9400 3.162779  240.4086       6.871132  222.7257       13.74226  258.0916       13.74226  148.1965 4.636500  159.6834 4.302971  -11.48691      6.325559  
1 1 1 37 20 13 o 47.78313 8.749699  26.55536       6.027727  21.49969       12.05545  31.61102       12.05545  43.00989 12.95467  52.55639 11.76459  -9.546497      17.49940  
1 1 1 37 20 14 o 87.52870 5.978573  81.65308       7.380988  75.22031       14.76198  88.08583       14.76198  83.85405 8.802185  91.20336 8.092891  -7.349312      11.95715  
1 1 1 37 20 15 o 34.73025 13.79511  11.50271       14.28548  11.50271       14.28548  ?              ?         34.73025 13.79511  ?        ?         ?              ?         
1 1 1 37 21 0  o 66.39297 8.752253  46.82090       11.30258  46.82090       11.30258  46.82090       11.30258  66.39297 8.752253  66.39297 8.752253  0.000000       0.000000  
1 1 1 37 21 1  o 84.80549 3.354877  72.98554       3.974012  59.91514       7.948023  86.05593       7.948023  77.09939 5.154401  92.51159 4.295691  -15.41220      6.709755  
1 1 1 37 21 2  o 119.5709 2.638653  143.6076       4.460042  138.8045       8.920084  148.4108       8.920084  117.5624 3.793765  121.5794 3.668420  -4.016968      5.277306  
1 1 1 37 21 3  o 31.43395 7.464232  9.344169       4.045487  5.508343       8.090974  13.18000       8.090974  27.43851 10.51069  35.42939 10.60116  -7.990889      14.92846  
1 1 1 37 21 4  o 77.91805 3.653352  61.35892       4.016897  66.00480       8.033793  56.71305       8.033793  80.89931 4.965304  74.93679 5.360380  5.962517       7.306704  
1 1 1 37 21 5  o 106.0774 3.038396  113.4547       4.545812  122.9942       9.091624  103.9152       9.091624  110.5739 4.111107  101.5809 4.475065  8.992981       6.076792  
1 1 1 37 21 6  o 21.33193 6.823722  -4.317091      4.407627  -4.698292      8.815253  -3.935891      8.815253  21.12886 9.596346  21.53501 9.703755  -0.4061546     13.64744  
1 1 1 37 21 7  o 48.77525 6.884798  25.89779       4.645877  14.99070       9.291754  36.80487       9.291754  37.56295 11.38511  59.98755 7.744735  -22.42460      13.76960  
1 1 1 37 21 8  o 67.39108 4.921721  46.47306       4.683997  49.27012       9.367994  43.67601       9.367994  69.46632 6.742832  65.31584 7.171304  4.150482       9.843443  
1 1 1 37 21 9  o 89.31966 4.396600  81.48154       5.532167  73.37150       11.06433  89.59156       11.06433  84.77977 6.525339  93.85955 5.894091  -9.079781      8.793200  
1 1 1 37 21 10 o 97.73172 4.080467  97.84454       5.575052  114.5888       11.15010  81.10034       11.15010  106.2981 5.244732  89.16531 6.252491  17.13284       8.160934  
1 1 1 37 21 11 o 62.29758 6.480589  40.72647       5.703707  42.75160       11.40741  38.70134       11.40741  63.92295 8.922785  60.67222 9.400855  3.250729       12.96118  
1 1 1 37 21 12 o 35.67961 9.095820  12.25558       6.046787  17.66863       12.09357  6.842543       12.09357  39.95968 13.11050  31.39954 12.61153  8.560139       18.19164  
1 1 1 37 21 13 o 64.15598 7.776615  46.34441       6.713887  59.12415       13.42777  33.56467       13.42777  74.57245 9.003174  53.73951 12.68250  20.83294       15.55323  
1 1 1 37 21 14 o 150.6187 3.787557  233.0801       8.067148  229.8542       16.13430  236.3060       16.13430  149.5478 5.394362  151.6895 5.318197  -2.141769      7.575115  
1 1 1 37 21 15 o 101.2057 5.826353  110.8673       8.276809  125.3386       16.55362  96.39599       16.55362  108.3551 7.638594  94.05621 8.799853  14.29891       11.65271  
1 1 1 37 22 0  o 46.33891 14.02965  27.12239       11.32164  27.12239       11.32164  27.12239       11.32164  46.33891 14.02965  46.33891 14.02965  0.000000       0.000000  
1 1 1 37 22 1  o 29.47943 6.848888  5.756122       4.026426  -4.707822      8.052853  16.22007       8.052853  20.04917 9.123526  38.90969 10.21716  -18.86053      13.69778  
1 1 1 37 22 2  o 115.8105 2.686146  134.8019       4.398098  138.5567       8.796194  131.0471       8.796194  117.4316 3.745241  114.1894 3.851581  3.242226       5.372291  
1 1 1 37 22 3  f 73.26439 4.090789  55.58851       4.083606  38.71087       8.167212  72.46616       8.167212  61.74609 6.613548  84.78270 4.816556  -23.03661      8.181579  
1 1 1 37 22 4  o 64.30772 4.591357  42.16074       4.145552  47.89780       8.291104  36.42368       8.291104  68.76835 6.028285  59.84708 6.926907  8.921265       9.182714  
1 1 1 37 22 5  o 188.0804 2.181991  355.1928       5.799007  371.7750       11.59801  338.6106       11.59801  192.4887 3.012649  183.6721 3.157260  8.816544       4.363983  
1 1 1 37 22 6  o 181.5483 2.329183  330.9485       5.980077  329.3093       11.96015  332.5876       11.96015  181.0969 3.302143  181.9997 3.285762  -0.9028625     4.658367  
1 1 1 37 22 7  o 91.08092 3.888705  84.79797       4.936542  101.1324       9.873084  68.46355       9.873084  100.0479 4.934178  82.11393 6.011820  17.93398       7.777410  
1 1 1 37 22 8  o 37.70298 8.485569  15.20988       5.089022  15.90558       10.17804  14.51420       10.17804  38.38451 11.97330  37.02144 12.02745  1.363071       16.97114  
1 1 1 37 22 9  o 178.6761 2.580565  321.4137       6.518523  331.0056       13.03705  311.8217       13.03705  181.3603 3.594240  175.9919 3.703877  5.368362       5.161130  
1 1 1 37 22 10 o 52.56689 7.045974  31.90169       5.455927  57.50404       10.91185  6.299332       10.91185  74.78268 7.295710  30.35111 12.05635  44.43158       14.09195  
1 1 1 37 22 11 o 73.98676 5.940753  57.46592       6.170677  65.10899       12.34135  49.82286       12.34135  79.15191 7.795993  68.82159 8.966194  10.33031       11.88151  
1 1 1 37 22 12 o 50.39344 8.613441  29.40959       6.227858  20.07019       12.45572  38.74900       12.45572  41.85112 13.27710  58.93576 10.97652  -17.08464      17.22688  
1 1 1 37 22 13 o 49.85303 8.952243  29.38100       6.380337  24.33010       12.76067  34.43190       12.76067  45.22126 13.25877  54.48481 12.03227  -9.263554      17.90449  
1 1 1 37 22 14 o 37.16371 13.85211  15.34331       13.78991  15.34331       13.78991  ?              ?         37.16371 13.85211  ?        ?         ?              ?         
1 1 1 37 22 15 o 61.79733 9.393894  50.69009       8.291104  69.36890       16.58221  32.01128       16.58221  76.55344 10.83048  47.04122 15.35193  29.51222       18.78779  
1 1 1 37 23 0  f 76.70724 7.602940  61.13498       11.45506  61.13498       11.45506  61.13498       11.45506  76.70724 7.602940  76.70724 7.602940  0.000000       0.000000  
1 1 1 37 23 1  o 108.2090 2.968795  118.0148       4.531517  127.7020       9.063033  108.3276       9.063033  112.6852 4.021396  103.7328 4.368450  8.952362       5.937591  
1 1 1 37 23 2  o 91.75770 3.059963  84.96951       3.954952  76.28768       7.909904  93.65135       7.909904  87.02685 4.544519  96.48855 4.098882  -9.461700      6.119925  
1 1 1 37 23 3  o 108.5399 2.900771  118.5580       4.450512  114.3505       8.901024  122.7655       8.901024  106.6017 4.174900  110.4781 4.028411  -3.876450      5.801541  
1 1 1 37 23 4  o 101.9886 3.258863  105.0159       4.688762  96.56752       9.377523  113.4642       9.377523  97.84681 4.791942  106.1304 4.417924  -8.283623      6.517727  
1 1 1 37 23 5  o 213.1642 2.313340  456.5396       6.966432  480.6458       13.93286  432.4334       13.93286  218.8186 3.183657  207.5099 3.357157  11.30870       4.626681  
1 1 1 37 23 6  o 49.06932 6.709903  25.92161       4.512457  34.03164       9.024914  17.81158       9.024914  57.61805 7.831672  40.52058 10.89753  17.09747       13.41981  
1 1 1 37 23 7  f 95.50806 3.561197  92.45058       4.803122  86.78975       9.606244  98.11140       9.606244  92.54453 5.190066  98.47158 4.877674  -5.927048      7.122394  
1 1 1 37 23 8  o 69.69794 4.921533  49.98964       4.807887  57.48499       9.615773  42.49429       9.615773  75.07497 6.404115  64.32092 7.474841  10.75404       9.843065  
1 1 1 37 23 9  o 54.98003 7.563472  32.63073       5.756122  28.62813       11.51224  36.63334       11.51224  50.86615 11.57344  59.09392 9.740635  -8.227772      15.12694  
1 1 1 37 23 10 o 62.80946 6.843031  41.59370       6.075377  40.15944       12.15075  43.02797       12.15075  61.66769 9.851799  63.95121 9.500019  -2.283520      13.68606  
1 1 1 37 23 11 o 36.41691 9.505430  12.88933       6.528053  10.09227       13.05611  15.68639       13.05611  34.30832 13.30278  38.52550 13.58119  -4.217182      19.01086  
1 1 1 37 23 12 o 131.5183 3.921619  177.6250       7.261863  158.8556       14.52373  196.3943       14.52373  124.3827 5.838323  138.6540 5.237401  -14.27127      7.843237  
1 1 1 37 23 13 o 28.27111 9.026489  -3.135371      7.666887  -3.154431      15.33377  -3.116311      15.33377  28.26332 12.76344  28.27890 12.76733  -0.1557350E-01 18.05298  
1 1 1 37 23 14 o 56.06403 14.26530  39.38750       16.03900  39.38750       16.03900  ?              ?         56.06403 14.26530  ?        ?         ?              ?         
1 1 1 37 24 0  o 142.0565 5.018311  203.4751       14.21877  203.4751       14.21877  203.4751       14.21877  142.0565 5.018311  142.0565 5.018311  0.000000       0.000000  
1 1 1 37 24 1  o 150.2946 2.262237  226.7474       4.807887  230.3878       9.615773  223.1069       9.615773  151.5058 3.173403  149.0835 3.224962  2.422226       4.524474  
1 1 1 37 24 2  o 42.86023 7.247998  19.83670       4.340917  18.01171       8.681833  21.66170       8.681833  40.83305 10.55625  44.88741 9.934758  -4.054359      14.49600  
1 1 1 37 24 3  o 33.60441 7.851615  11.26923       4.402863  14.10441       8.805723  8.434053       8.805723  36.50091 11.08737  30.70790 11.12032  5.793011       15.70323  
1 1 1 37 24 4  o 176.2797 2.450443  312.1600       6.108732  309.6298       12.21746  314.6903       12.21746  175.5620 3.479529  176.9974 3.451313  -1.435349      4.900886  
1 1 1 37 24 5  o 52.81717 6.755219  29.42389       4.927012  26.99850       9.854024  31.84928       9.854024  50.08532 10.19122  55.54901 8.869667  -5.463684      13.51044  
1 1 1 37 24 6  o 114.6443 3.365399  132.8864       5.455927  130.9423       10.91185  134.8305       10.91185  113.7964 4.794462  115.4922 4.724064  -1.695793      6.730799  
1 1 1 37 24 7  o 36.86295 7.765182  13.58979       4.879362  3.754822       9.758724  23.42475       9.758724  27.47033 11.21348  46.25556 10.74477  -18.78523      15.53036  
1 1 1 37 24 8  o 104.2057 3.733539  110.3288       5.484517  100.3033       10.96903  120.3544       10.96903  99.39522 5.517889  109.0162 5.030921  -9.620941      7.467079  
1 1 1 37 24 9  o 120.9078 3.631092  148.4679       6.194502  137.0129       12.38900  159.9230       12.38900  116.1707 5.332241  125.6449 4.930165  -9.474213      7.262185  
1 1 1 37 24 10 o 83.43683 5.413323  72.48997       6.351747  81.01456       12.70349  63.96539       12.70349  88.54523 7.173450  78.32841 8.109123  10.21682       10.82665  
1 1 1 37 24 11 f 48.90960 9.307366  27.86097       6.580468  27.98962       13.16094  27.73231       13.16094  49.02663 13.14841  48.79257 13.17679  0.2340546      18.61473  
1 1 1 37 24 12 f 93.44432 5.521080  91.78347       7.290452  87.80946       14.58090  95.75748       14.58090  91.31791 7.983596  95.57072 7.628333  -4.252815      11.04216  
1 1 1 37 24 13 o 81.89618 6.858818  73.87183       7.843193  61.51618       15.68639  86.22747       15.68639  74.35270 10.54863  89.43967 8.769256  -15.08697      13.71764  
1 1 1 37 24 14 f 41.02222 14.94467  21.28050       15.92464  21.28050       15.92464  ?              ?         41.02222 14.94467  ?        ?         ?              ?         
1 1 1 37 25 0  o 38.51908 16.56492  21.95713       12.99893  21.95713       12.99893  21.95713       12.99893  38.51908 16.56492  38.51908 16.56492  0.000000       0.000000  
1 1 1 37 25 1  o 29.86224 7.393418  5.808537       4.464807  15.40049       8.929614  -3.783412      8.929614  37.94838 11.08010  21.77609 9.791933  16.17229       14.78684  
1 1 1 37 25 2  o 52.98936 6.712248  30.94392       4.736412  45.26752       9.472824  16.62033       9.472824  66.64906 7.106494  39.32966 11.38924  27.31940       13.42450  
1 1 1 37 25 3  o 126.6513 2.874675  161.6813       5.136672  174.4467       10.27334  148.9158       10.27334  131.6909 3.900551  121.6117 4.223829  10.07919       5.749350  
1 1 1 37 25 4  o 62.37115 6.517855  46.36824       4.898422  78.73689       9.796844  13.99957       9.796844  88.15885 5.556359  36.58346 11.79223  51.57539       13.03571  
1 1 1 37 25 5  o 107.6199 3.536439  117.2715       5.379687  113.0449       10.75937  121.4980       10.75937  105.6563 5.091687  109.5836 4.909209  -3.927299      7.072879  
1 1 1 37 25 6  o 141.2281 2.964145  202.5888       5.856187  236.5251       11.71237  168.6525       11.71237  153.2428 3.821508  129.2134 4.532184  24.02945       5.928289  
1 1 1 37 25 7  o 58.69220 7.177611  38.59651       5.541698  56.54151       11.08340  20.65152       11.08340  74.17960 7.470649  43.20480 12.25813  30.97480       14.35522  
1 1 1 37 25 8  o 71.56053 5.844999  53.45379       5.837128  43.81895       11.67426  63.08862       11.67426  64.82858 9.003942  78.29248 7.455541  -13.46390      11.69000  
1 1 1 37 25 9  o 120.6999 3.761626  148.2678       6.413693  140.2816       12.82739  156.2540       12.82739  117.3917 5.463499  124.0082 5.171991  -6.616516      7.523252  
1 1 1 37 25 10 o 52.83125 8.170712  31.44425       5.951487  26.61730       11.90297  36.27120       11.90297  48.34426 12.28199  57.31824 10.77937  -8.973980      16.34142  
1 1 1 37 25 11 o 71.31048 6.429360  54.40202       6.427987  62.12610       12.85597  46.67796       12.85597  76.72628 8.377817  65.89468 9.754942  10.83160       12.85872  
1 1 1 37 25 12 o 75.91167 6.476004  61.97838       6.952137  61.47805       13.90427  62.47870       13.90427  75.58212 9.198125  76.24121 9.118608  -0.6590958     12.95201  
1 1 1 37 25 13 o 43.72871 14.81311  23.84407       15.43861  23.84407       15.43861  ?              ?         43.72871 14.81311  ?        ?         ?              ?         
1 1 1 37 26 0  o 36.27922 16.99550  20.26079       13.70415  20.26079       13.70415  20.26079       13.70415  36.27922 16.99550  36.27922 16.99550  0.000000       0.000000  
1 1 1 37 26 1  o 74.21337 4.549754  56.00307       4.774532  54.99765       9.549064  57.00848       9.549064  73.53599 6.492783  74.89075 6.375329  -1.354767      9.099508  
1 1 1 37 26 2  o 170.7660 2.358637  294.1722       5.660822  256.6525       11.32164  331.6918       11.32164  159.7803 3.542880  181.7516 3.114592  -21.97139      4.717275  
1 1 1 37 26 3  o 72.07597 5.100327  54.69746       4.960367  73.02842       9.920734  36.36650       9.920734  84.79239 5.850014  59.35956 8.356475  25.43283       10.20065  
1 1 1 37 26 4  o 69.48525 4.920808  49.47502       4.831712  51.69074       9.663424  47.25929       9.663424  71.07964 6.797604  67.89087 7.116881  3.188766       9.841617  
1 1 1 37 26 5  o 55.31967 7.224699  33.11200       5.460692  25.12109       10.92138  41.10291       10.92138  47.68069 11.55665  62.95866 8.673457  -15.27797      14.44940  
1 1 1 37 26 6  o 74.82710 5.283919  57.62793       5.575052  62.59307       11.15010  52.66280       11.15010  78.14484 7.134256  71.50936 7.796255  6.635475       10.56784  
1 1 1 37 26 7  o 94.57051 4.554544  92.13132       6.008667  109.1948       12.01733  75.06784       12.01733  103.5921 5.800316  85.54895 7.023661  18.04311       9.109088  
1 1 1 37 26 8  o 78.23946 5.880299  64.12263       6.413693  76.08755       12.82739  52.15771       12.82739  85.88581 7.467698  70.59312 9.085436  15.29269       11.76060  
1 1 1 37 26 9  o 45.07582 9.149230  23.24368       6.142087  24.66365       12.28417  21.82371       12.28417  46.39525 12.82050  43.75639 13.05635  2.638859       18.29846  
1 1 1 37 26 10 o 98.76498 4.912635  101.0800       6.861602  101.7137       13.72320  100.4462       13.72320  99.08581 6.924910  98.44415 6.970047  0.6416626      9.825271  
1 1 1 37 26 11 o 38.38651 9.063325  14.72862       6.489933  27.01756       12.97987  2.439681       12.97987  47.75542 13.17072  29.01759 12.45422  18.73783       18.12665  
1 1 1 37 26 12 o 37.27771 14.21464  14.81916       14.74292  14.81916       14.74292  ?              ?         37.27771 14.21464  ?        ?         ?              ?         
1 1 1 37 26 13 o 28.63269 12.92266  -1.610571      15.69592  -1.610571      15.69592  ?              ?         28.63269 12.92266  ?        ?         ?              ?         
1 1 1 37 27 0  o 24.21666 14.51547  7.233273       12.29370  7.233273       12.29370  7.233273       12.29370  24.21666 14.51547  24.21666 14.51547  0.000000       0.000000  
1 1 1 37 27 1  o 59.86711 6.269149  38.48693       4.979427  49.78474       9.958854  27.18910       9.958854  69.69376 7.144724  50.04047 10.30349  19.65329       12.53830  
1 1 1 37 27 2  o 72.11087 5.158553  55.31691       4.950837  76.16380       9.901674  34.47003       9.901674  86.56561 5.719173  57.65613 8.586836  28.90948       10.31711  
1 1 1 37 27 3  o 80.82579 4.660823  66.74814       5.327272  67.52008       10.65454  65.97622       10.65454  81.30332 6.552343  80.34827 6.630227  0.9550552      9.321647  
1 1 1 37 27 4  o 136.8377 2.844768  189.0705       5.489282  172.6551       10.97856  205.4859       10.97856  130.8396 4.195429  142.8359 3.843070  -11.99629      5.689536  
1 1 1 37 27 5  o 81.94431 5.063749  69.95499       5.713237  87.86665       11.42647  52.04335       11.42647  92.87346 6.151637  71.01514 8.045097  21.85831       10.12750  
1 1 1 37 27 6  o 82.96318 4.834664  70.58874       5.660822  75.66823       11.32164  65.50925       11.32164  86.02448 6.580479  79.90189 7.084716  6.122597       9.669329  
1 1 1 37 27 7  o 51.31858 8.465158  29.41436       6.037257  30.48648       12.07451  28.34223       12.07451  52.32653 11.81630  50.31063 12.12480  2.015903       16.93032  
1 1 1 37 27 8  o 66.62880 6.474189  46.82091       6.094438  44.54324       12.18888  49.09858       12.18888  64.91958 9.387672  68.33803 8.918077  -3.418449      12.94838  
1 1 1 37 27 9  o 61.59858 7.783739  42.20362       6.508993  52.92011       13.01799  31.48713       13.01799  70.75073 9.199895  52.44643 12.55820  18.30430       15.56748  
1 1 1 37 27 10 o 63.69735 7.905215  49.88005       7.037908  11.87438       14.07582  87.88570       14.07582  35.72940 13.82102  91.66530 7.677832  -55.93590      15.81043  
1 1 1 37 27 11 o 41.86039 10.40351  20.42756       7.695479  16.90623       15.39096  23.94890       15.39096  39.27244 14.63495  44.44834 14.79020  -5.175896      20.80701  
1 1 1 37 27 12 o 55.83878 9.776162  38.99201       7.928963  26.89367       15.85793  51.09035       15.85793  46.02420 15.01291  65.65336 12.52621  -19.62916      19.55232  
1 1 1 37 27 13 o 34.11334 14.11527  12.88457       15.69592  12.88457       15.69592  ?              ?         34.11334 14.11527  ?        ?         ?              ?         
1 1 1 37 28 0  o 193.4593 4.579586  376.8164       17.69722  376.8164       17.69722  376.8164       17.69722  193.4593 4.579586  193.4593 4.579586  0.000000       0.000000  
1 1 1 37 28 1  o 85.81647 4.243599  75.49667       5.089022  88.62904       10.17804  62.36435       10.17804  93.46788 5.444675  78.16506 6.510610  15.30282       8.487198  
1 1 1 37 28 2  o 44.02664 7.198173  20.45139       5.198617  3.411741       10.39723  37.49103       10.39723  27.90497 11.51318  60.14832 8.642997  -32.24335      14.39635  
1 1 1 37 28 3  o 36.32421 8.324653  12.62249       5.365392  3.468921       10.73078  21.77606       10.73078  28.27983 11.68444  44.36859 11.86057  -16.08877      16.64931  
1 1 1 37 28 4  o 63.45167 6.513041  43.04703       5.555993  32.70698       11.11199  53.38708       11.11199  54.90647 10.49413  71.99687 7.716992  -17.09040      13.02608  
1 1 1 37 28 5  o 113.0965 3.604360  129.7033       5.760887  135.2212       11.52177  124.1855       11.52177  115.5360 4.986227  110.6571 5.206071  4.878914       7.208720  
1 1 1 37 28 6  o 69.35944 6.212302  50.40419       6.037257  57.97101       12.07451  42.83736       12.07451  74.81422 8.069665  63.90464 9.447290  10.90958       12.42460  
1 1 1 37 28 7  o 107.3783 4.039130  117.7003       6.132557  120.2210       12.26511  115.1796       12.26511  108.5521 5.649415  106.2046 5.774287  2.347481       8.078260  
1 1 1 37 28 8  o 126.7373 3.876156  163.8065       6.947372  163.8303       13.89474  163.7826       13.89474  126.7467 5.481306  126.7279 5.482119  0.1879120E-01  7.752312  
1 1 1 37 28 9  o 35.56465 9.019603  9.930264       6.623353  23.71065       13.24671  -3.850122      13.24671  44.87250 13.59250  26.25680 11.85988  18.61570       18.03921  
1 1 1 37 28 10 o 25.90024 8.397348  -10.01603      7.328573  2.496861       14.65715  -22.52893      14.65715  30.32244 13.12782  21.47803 10.47484  8.844408       16.79470  
1 1 1 37 28 11 o 49.11891 9.317834  29.36194       7.299983  13.59931       14.59997  45.12457       14.59997  36.29986 14.06891  61.93796 12.22105  -25.63810      18.63567  
1 1 1 37 28 12 o 67.92297 9.246071  55.98878       8.562708  55.45509       17.12542  56.52245       17.12542  67.52660 13.14968  68.31934 13.00174  -0.7927399     18.49214  
1 1 1 37 29 0  o 33.59247 16.80149  17.84017       13.65650  17.84017       13.65650  17.84017       13.65650  33.59247 16.80149  33.59247 16.80149  0.000000       0.000000  
1 1 1 37 29 1  o 172.4851 2.631924  299.6138       6.418458  291.9136       12.83692  307.3140       12.83692  170.2529 3.769954  174.7172 3.673627  -4.464294      5.263847  
1 1 1 37 29 2  f 51.91808 7.502662  29.98139       5.455927  43.75225       10.91185  16.21054       10.91185  64.99731 8.394081  38.83884 12.43781  26.15847       15.00532  
1 1 1 37 29 3  o 93.46339 4.275424  89.05312       5.646527  93.12720       11.29305  84.97904       11.29305  95.64289 5.903761  91.28389 6.185678  4.359001       8.550848  
1 1 1 37 29 4  o 88.72392 4.769794  80.61430       5.984842  80.29981       11.96968  80.92879       11.96968  88.54668 6.758968  88.90115 6.732019  -0.3544693     9.539587  
1 1 1 37 29 5  o 59.25678 7.759746  38.06760       6.356512  40.98855       12.71302  35.14665       12.71302  62.22706 10.21503  56.28650 11.68366  5.940559       15.51949  
1 1 1 37 29 6  o 162.4496 2.985116  266.9163       6.856837  272.4247       13.71367  261.4080       13.71367  164.1450 4.177305  160.7542 4.265417  3.390793       5.970231  
1 1 1 37 29 7  o 42.01482 9.457661  19.84623       6.361277  17.27790       12.72255  22.41457       12.72255  39.75531 13.44712  44.27432 13.30279  -4.519009      18.91532  
1 1 1 37 29 8  o 33.20396 8.981734  6.947372       6.556643  -4.946072      13.11329  18.84082       13.11329  25.68253 11.67511  40.72541 13.65203  -15.04288      17.96347  
1 1 1 37 29 9  o 84.98615 6.034262  76.51640       7.252333  75.96366       14.50467  77.06915       14.50467  84.66095 8.566326  85.31134 8.501019  -0.6503906     12.06852  
1 1 1 37 29 10 o 43.43269 14.59663  22.74812       14.99070  22.74812       14.99070  ?              ?         43.43269 14.59663  ?        ?         ?              ?         
1 1 1 37 29 11 o 61.00110 9.875384  45.98227       8.348284  48.24088       16.69657  43.72366       16.69657  62.79342 13.67523  59.20879 14.25064  3.584629       19.75077  
1 1 1 37 30 0  o 30.63406 17.27791  14.32360       15.95323  14.32360       15.95323  14.32360       15.95323  30.63406 17.27791  30.63406 17.27791  0.000000       0.000000  
1 1 1 37 30 1  o 25.82452 7.907464  -2.673166      5.641763  -10.79749      11.28353  5.451162       11.28353  21.57637 10.13692  30.07266 12.13898  -8.496286      15.81493  
1 1 1 37 30 2  o 106.5892 3.812068  115.6657       5.722767  103.7817       11.44553  127.5496       11.44553  101.0146 5.665289  112.1638 5.102150  -11.14926      7.624135  
1 1 1 37 30 3  o 23.04153 7.483867  -6.947372      5.603642  -5.965783      11.20728  -7.928963      11.20728  23.47112 10.70274  22.61193 10.46348  0.8591862      14.96773  
1 1 1 37 30 4  o 41.10675 9.035411  18.03077       6.213562  8.777133       12.42712  27.28440       12.42712  33.15369 12.95297  49.05982 12.60060  -15.90614      18.07082  
1 1 1 37 30 5  o 74.97040 6.235246  59.09556       6.599527  55.29308       13.19905  62.89803       13.19905  72.43441 9.111039  77.50638 8.514818  -5.071968      12.47049  
1 1 1 37 30 6  o 60.74039 7.887959  41.36974       6.485168  28.24693       12.97034  54.49256       12.97034  49.56264 12.94471  71.91814 9.017430  -22.35550      15.77592  
1 1 1 37 30 7  o 28.25024 8.820108  -1.562920      7.009318  -5.965783      14.01864  2.839941       14.01864  26.21021 11.95670  30.29027 12.96976  -4.080057      17.64022  
1 1 1 37 30 8  o 119.7815 4.343678  147.8008       7.352398  141.3109       14.70480  154.2908       14.70480  117.0724 6.280214  122.4906 6.002420  -5.418144      8.687355  
1 1 1 37 30 9  o 51.17849 9.498940  31.45854       7.786013  12.97987       15.57203  49.93722       15.57203  36.73602 14.46233  65.62096 12.31910  -28.88495      18.99788  
1 1 1 37 30 10 o 38.96952 14.44797  17.47803       14.96210  17.47803       14.96210  ?              ?         38.96952 14.44797  ?        ?         ?              ?         
1 1 1 37 31 0  o 36.82948 18.52995  22.06196       16.64892  22.06196       16.64892  22.06196       16.64892  36.82948 18.52995  36.82948 18.52995  0.000000       0.000000  
1 1 1 37 31 1  o 40.52682 8.864940  18.04983       5.689413  13.96145       11.37883  22.13820       11.37883  36.69934 12.70364  44.35431 12.36795  -7.654976      17.72988  
1 1 1 37 31 2  o 122.0972 3.640563  151.5032       6.285037  148.1725       12.57007  154.8340       12.57007  120.7332 5.205723  123.4612 5.090700  -2.727936      7.281125  
1 1 1 37 31 3  f 127.0428 3.591290  164.0733       6.451812  166.4034       12.90362  161.7432       12.90362  127.9599 5.042058  126.1258 5.115379  1.834106       7.182580  
1 1 1 37 31 4  o 99.47457 4.721030  101.8996       6.637648  105.7735       13.27530  98.02562       13.27530  101.4218 6.544599  97.52737 6.805934  3.894409       9.442060  
1 1 1 37 31 5  o 86.65733 6.066384  80.73820       7.099854  106.9838       14.19971  54.49256       14.19971  101.8007 6.974268  71.51400 9.927921  30.28667       12.13277  
1 1 1 37 31 6  o 72.69730 6.721312  57.18002       6.756773  70.09319       13.51355  44.26687       13.51355  81.57876 8.282515  63.81585 10.58792  17.76291       13.44262  
1 1 1 37 31 7  o 49.40527 9.424545  28.71390       7.190388  16.00088       14.38078  41.42693       14.38078  38.78644 14.19476  60.02411 12.40149  -21.23767      18.84909  
1 1 1 37 31 8  f 82.43522 7.067926  74.99160       8.014733  56.55104       16.02947  93.43216       16.02947  71.25034 11.24869  93.62009 8.560911  -22.36975      14.13585  
1 1 1 37 31 9  o 69.82919 8.520178  57.76134       7.938493  39.17785       15.87699  76.34486       15.87699  56.07933 14.14773  83.57904 9.498188  -27.49971      17.04036  
1 1 1 37 31 10 o 87.95001 6.550963  84.88375       8.076677  73.03795       16.15335  96.72954       16.15335  81.21562 9.944736  94.68441 8.530105  -13.46879      13.10193  
1 1 1 37 32 0  o 21.98320 14.77497  -3.421271      17.79252  -3.421271      17.79252  -3.421271      17.79252  21.98320 14.77497  21.98320 14.77497  0.000000       0.000000  
1 1 1 37 32 1  o 84.67981 5.161278  74.23397       6.180207  72.99030       12.36041  75.47763       12.36041  83.94547 7.362169  85.41414 7.235579  -1.468666      10.32256  
1 1 1 37 32 2  o 30.95373 8.643586  4.645877       6.080142  -5.012782      12.16028  14.30454       12.16028  24.83144 11.27612  37.07603 13.10326  -12.24459      17.28717  
1 1 1 37 32 3  o 107.8201 4.374444  120.3163       6.566173  144.0937       13.13235  96.53894       13.13235  118.8465 5.524920  96.79366 6.783680  22.05282       8.748889  
1 1 1 37 32 4  o 43.25408 7.259224  15.81504       6.332687  43.80943       12.66537  -12.17935      12.66537  63.99625 9.895403  22.51191 10.62386  41.48435       14.51845  
1 1 1 37 32 5  o 95.65343 5.227414  95.46681       7.071262  94.93790       14.14252  95.99573       14.14252  95.37695 7.414016  95.92990 7.371281  -0.5529480     10.45483  
1 1 1 37 32 6  o 50.71836 9.609101  30.52937       7.033143  29.79079       14.06629  31.26794       14.06629  50.06851 13.66787  51.36821 13.51032  -1.299702      19.21820  
1 1 1 37 32 7  o 46.06447 15.20120  26.11221       16.25819  26.11221       16.25819  ?              ?         46.06447 15.20120  ?        ?         ?              ?         
1 1 1 37 32 8  o 36.17530 14.46033  12.52242       15.79122  12.52242       15.79122  ?              ?         36.17530 14.46033  ?        ?         ?              ?         
1 1 1 37 32 9  o 25.92680 12.18433  -11.15963      16.32490  -11.15963      16.32490  ?              ?         25.92680 12.18433  ?        ?         ?              ?         
1 1 1 37 33 0  o 36.13911 19.25550  21.96666       18.66928  21.96666       18.66928  21.96666       18.66928  36.13911 19.25550  36.13911 19.25550  0.000000       0.000000  
1 1 1 37 33 1  o 35.56715 9.509274  12.01733       6.551878  12.09357       13.10376  11.94110       13.10376  35.62402 13.45446  35.51029 13.44182  0.1137352      19.01855  
1 1 1 37 33 2  o 34.23531 9.325830  10.58307       6.380337  11.83626       12.76067  9.329873       12.76067  35.14231 13.27580  33.32832 13.10105  1.813988       18.65166  
1 1 1 37 33 3  f 42.69639 9.857845  21.19950       6.847308  20.11784       13.69462  22.28115       13.69462  41.79073 13.95135  43.60205 13.93084  -1.811317      19.71569  
1 1 1 37 33 4  o 138.3614 3.712754  195.7606       7.252333  182.7855       14.50467  208.7357       14.50467  133.6725 5.425448  143.0502 5.069781  -9.377686      7.425508  
1 1 1 37 33 5  o 37.45295 9.582260  12.10310       7.347633  25.98832       14.69527  -1.782111      14.69527  46.45243 14.36638  28.45347 12.68409  17.99896       19.16452  
1 1 1 37 33 6  o 74.38675 7.013243  60.25822       7.371458  62.91708       14.74292  57.59935       14.74292  76.17393 9.677139  72.59956 10.15359  3.574379       14.02649  
1 1 1 37 33 7  o 59.46928 9.808934  43.44729       8.114799  46.62078       16.22960  40.27380       16.22960  62.03554 13.45892  56.90303 14.27299  5.132504       19.61787  
1 1 1 37 33 8  o 41.10468 14.99191  20.23220       16.02947  20.23220       16.02947  ?              ?         41.10468 14.99191  ?        ?         ?              ?         
1 1 1 37 34 0  o 36.16079 19.36101  22.37645       18.94565  22.37645       18.94565  22.37645       18.94565  36.16079 19.36101  36.16079 19.36101  0.000000       0.000000  
1 1 1 37 34 1  o 106.3010 4.675236  116.8474       7.028378  117.1237       14.05676  116.5710       14.05676  106.4310 6.603692  106.1711 6.619863  0.2599945      9.350471  
1 1 1 37 34 2  o 66.57646 7.783093  50.16118       6.894957  65.93810       13.78991  34.38425       13.78991  78.87446 8.741687  54.27847 12.87979  24.59599       15.56619  
1 1 1 37 34 3  o 48.19407 9.084440  27.40352       6.523287  35.92811       13.04657  18.87894       13.04657  55.82809 12.02823  40.56005 13.61726  15.26804       18.16888  
1 1 1 37 34 4  o 31.55298 8.781192  1.281785       6.909253  19.79382       13.81851  -17.23025      13.81851  41.14468 14.01434  21.96128 10.58469  19.18340       17.56238  
1 1 1 37 34 5  o 94.68912 5.890924  95.47158       7.862253  87.00894       15.72451  103.9342       15.72451  90.22047 8.714489  99.15776 7.929035  -8.937286      11.78185  
1 1 1 37 34 6  o 61.93828 8.937529  46.53501       7.724069  64.42282       15.44814  28.64719       15.44814  76.32832 10.11953  47.54825 14.73475  28.78007       17.87506  
1 1 1 37 34 7  o 98.02574 6.094736  103.6436       8.429289  96.04338       16.85858  111.2437       16.85858  94.14912 8.953126  101.9024 8.271926  -7.753250      12.18947  
1 1 1 37 35 0  o 56.20840 20.26423  46.72561       20.81353  46.72561       20.81353  46.72561       20.81353  56.20840 20.26423  56.20840 20.26423  0.000000       0.000000  
1 1 1 37 35 1  o 66.17675 7.766950  49.04616       7.099854  52.04335       14.19971  46.04898       14.19971  68.92858 10.30030  63.42492 11.62780  5.503658       15.53390  
1 1 1 37 35 2  o 44.29665 9.165534  21.57593       7.218978  39.68294       14.43796  3.468921       14.43796  58.00361 12.78953  30.58968 13.13225  27.41393       18.33107  
1 1 1 37 35 3  o 53.67660 9.668643  34.92270       7.414343  40.12132       14.82869  29.72408       14.82869  58.11216 13.07538  49.24103 14.24658  8.871128       19.33729  
1 1 1 37 35 4  o 27.48043 12.49201  -3.926362      15.00976  -3.926362      15.00976  ?              ?         27.48043 12.49201  ?        ?         ?              ?         
1 1 1 37 35 5  o 27.02591 12.46033  -6.327922      15.70545  -6.327922      15.70545  ?              ?         27.02591 12.46033  ?        ?         ?              ?         
1 1 1 37 35 6  o 32.28616 13.78627  5.880013       15.76263  5.880013       15.76263  ?              ?         32.28616 13.78627  ?        ?         ?              ?         
1 1 1 37 36 1  o 48.94319 14.69258  30.20058       15.52438  30.20058       15.52438  ?              ?         48.94319 14.69258  ?        ?         ?              ?         
1 1 1 37 36 2  o 51.72703 9.611800  33.21683       7.380988  43.45682       14.76198  22.97684       14.76198  60.34156 12.63867  43.11250 14.48485  17.22906       19.22360  
1 1 1 37 36 3  o 24.37160 11.55750  -12.87504      15.18130  -12.87504      15.18130  ?              ?         24.37160 11.55750  ?        ?         ?              ?         
1 1 1 37 36 4  o 39.75200 14.96795  18.21184       16.18195  18.21184       16.18195  ?              ?         39.75200 14.96795  ?        ?         ?              ?         
1 1 1 37 36 5  o 33.84007 14.36454  8.138623       16.93482  8.138623       16.93482  ?              ?         33.84007 14.36454  ?        ?         ?              ?         
1 1 1 37 37 0  o 26.81482 18.50649  -13.47543      31.27747  -13.47543      31.27747  -13.47543      31.27747  26.81482 18.50649  26.81482 18.50649  0.000000       0.000000  
1 1 1 38 0  0  o 69.93326 7.547471  50.68056       10.34005  50.68056       10.34005  50.68056       10.34005  69.93326 7.547471  69.93326 7.547471  0.000000       0.000000  
1 1 1 38 0  1  o 134.4021 3.404819  181.1177       9.139274  181.1177       9.139274  181.1177       9.139274  134.4021 3.404819  134.4021 3.404819  0.000000       0.000000  
1 1 1 38 0  2  f 101.7955 4.006332  104.2106       8.129093  104.2106       8.129093  104.2106       8.129093  101.7955 4.006332  101.7955 4.006332  0.000000       0.000000  
1 1 1 38 0  3  o 133.3620 3.262895  178.3064       8.691362  178.3064       8.691362  178.3064       8.691362  133.3620 3.262895  133.3620 3.262895  0.000000       0.000000  
1 1 1 38 0  4  o 44.27991 10.41489  22.69094       8.005203  22.69094       8.005203  22.69094       8.005203  44.27991 10.41489  44.27991 10.41489  0.000000       0.000000  
1 1 1 38 0  5  o 504.4581 6.762125  2555.699       68.19671  2555.699       68.19671  2555.699       68.19671  504.4581 6.762125  504.4581 6.762125  0.000000       0.000000  
1 1 1 38 0  6  o 43.35682 14.50788  24.47305       11.18822  24.47305       11.18822  24.47305       11.18822  43.35682 14.50788  43.35682 14.50788  0.000000       0.000000  
1 1 1 38 0  7  o 52.86477 11.26781  31.74445       10.46395  31.74445       10.46395  31.74445       10.46395  52.86477 11.26781  52.86477 11.26781  0.000000       0.000000  
1 1 1 38 0  8  o 47.46054 12.82590  27.23675       10.50206  27.23675       10.50206  27.23675       10.50206  47.46054 12.82590  47.46054 12.82590  0.000000       0.000000  
1 1 1 38 0  9  o 231.6524 4.832375  539.2267       22.36692  539.2267       22.36692  539.2267       22.36692  231.6524 4.832375  231.6524 4.832375  0.000000       0.000000  
1 1 1 38 0  10 o 65.88817 14.67247  50.55667       16.86811  50.55667       16.86811  50.55667       16.86811  65.88817 14.67247  65.88817 14.67247  0.000000       0.000000  
1 1 1 38 0  11 o 44.53295 17.30200  28.15163       14.60950  28.15163       14.60950  28.15163       14.60950  44.53295 17.30200  44.53295 17.30200  0.000000       0.000000  
1 1 1 38 0  12 o 107.9502 7.375095  119.4777       15.77216  119.4777       15.77216  119.4777       15.77216  107.9502 7.375095  107.9502 7.375095  0.000000       0.000000  
1 1 1 38 0  13 o 27.38054 16.78593  8.500763       17.24931  8.500763       17.24931  8.500763       17.24931  27.38054 16.78593  27.38054 16.78593  0.000000       0.000000  
1 1 1 38 0  14 o 130.8328 8.751467  176.8864       22.69094  176.8864       22.69094  176.8864       22.69094  130.8328 8.751467  130.8328 8.751467  0.000000       0.000000  
1 1 1 38 0  15 o 94.57019 12.48668  98.38776       22.96731  98.38776       22.96731  98.38776       22.96731  94.57019 12.48668  94.57019 12.48668  0.000000       0.000000  
1 1 1 38 0  16 o 41.12106 22.06586  30.34353       24.65412  30.34353       24.65412  30.34353       24.65412  41.12106 22.06586  41.12106 22.06586  0.000000       0.000000  
1 1 1 38 1  0  o 160.5359 3.223378  258.1964       10.34005  258.1964       10.34005  258.1964       10.34005  160.5359 3.223378  160.5359 3.223378  0.000000       0.000000  
1 1 1 38 1  1  o 333.6814 2.049356  1114.810       9.668188  1084.686       19.33638  1144.935       19.33638  329.1674 2.937165  338.1953 2.858759  -9.027863      4.098712  
1 1 1 38 1  2  o 52.51835 3.840417  30.18153       2.439681  45.89650       4.879362  14.46655       4.879362  67.69005 3.604195  37.34665 6.782697  30.34340       7.680833  
1 1 1 38 1  3  o 43.44746 3.796213  19.14578       2.296731  15.31472       4.593462  22.97684       4.593462  39.03861 5.883229  47.85630 4.799224  -8.817688      7.592426  
1 1 1 38 1  4  o 152.7723 1.982424  233.8282       4.278972  222.0205       8.557944  245.6358       8.557944  148.9079 2.873570  156.6368 2.731780  -7.728943      3.964849  
1 1 1 38 1  5  o 110.4422 2.901917  122.5845       4.517222  111.0245       9.034444  134.1443       9.034444  105.2087 4.293582  115.6756 3.905077  -10.46693      5.803833  
1 1 1 38 1  6  o 91.42799 3.220137  84.41200       4.126492  97.32040       8.252983  71.50362       8.252983  98.48732 4.189871  84.36868 4.891023  14.11864       6.440274  
1 1 1 38 1  7  o 56.08220 5.456378  32.03034       4.288502  27.14145       8.577003  36.91924       8.577003  51.72351 8.291203  60.44089 7.095365  -8.717373      10.91276  
1 1 1 38 1  8  o 89.64989 4.071320  82.63466       5.003252  59.49581       10.00650  105.7735       10.00650  76.74477 6.519340  102.5550 4.878604  -25.81024      8.142639  
1 1 1 38 1  9  o 77.65677 4.839386  61.48758       5.270092  52.44361       10.54018  70.53156       10.54018  71.83372 7.336515  83.47980 6.313015  -11.64608      9.678771  
1 1 1 38 1  10 o 94.16741 4.415485  89.86317       5.880013  90.73517       11.76003  88.99117       11.76003  94.63042 6.213661  93.70441 6.275065  0.9260101      8.830970  
1 1 1 38 1  11 o 50.75329 7.595647  27.88003       5.289153  24.05373       10.57831  31.70633       10.57831  47.01636 11.35997  54.49022 10.08596  -7.473862      15.19129  
1 1 1 38 1  12 o 174.9190 3.430460  310.1397       8.438819  272.8344       16.87764  347.4449       16.87764  164.2554 5.137620  185.5826 4.547205  -21.32715      6.860920  
1 1 1 38 1  13 o 57.30319 10.58452  37.75311       8.772368  30.55319       17.54474  44.95303       17.54474  51.66199 15.64173  62.94438 14.26409  -11.28239      21.16903  
1 1 1 38 1  14 o 143.4859 4.663836  211.2421       9.420408  234.0378       18.84082  188.4463       18.84082  151.4294 6.220990  135.5423 6.950161  15.88713       9.327672  
1 1 1 38 1  15 o 68.72796 9.178530  53.68252       8.658009  65.08040       17.31602  42.28463       17.31602  77.54860 11.16462  59.90732 14.57165  17.64128       18.35706  
1 1 1 38 1  16 o 44.64247 16.48553  22.90060       19.44121  22.90060       19.44121  ?              ?         44.64247 16.48553  ?        ?         ?              ?         
1 1 1 38 2  0  o 29.92292 12.08879  12.54149       7.033143  12.54149       7.033143  12.54149       7.033143  29.92292 12.08879  29.92292 12.08879  0.000000       0.000000  
1 1 1 38 2  1  o 77.00461 2.625973  59.41005       2.859001  60.93485       5.718002  57.88525       5.718002  77.99468 3.665636  76.01454 3.761124  1.980141       5.251946  
1 1 1 38 2  2  o 138.5262 1.807404  192.9349       3.516572  166.9752       7.033143  218.8946       7.033143  129.1563 2.722726  147.8962 2.377730  -18.73993      3.614808  
1 1 1 38 2  3  o 96.88544 2.014386  94.54240       2.735111  79.94720       5.470222  109.1376       5.470222  89.35325 3.061009  104.4176 2.619396  -15.06438      4.028773  
1 1 1 38 2  4  o 61.79416 4.064305  38.46309       3.540397  41.99873       7.080793  34.92746       7.080793  64.65497 5.475831  58.93334 6.007460  5.721626       8.128610  
1 1 1 38 2  5  o 265.8293 2.229952  707.9078       8.381639  691.8115       16.76328  724.0040       16.76328  262.8018 3.189338  268.8569 3.117509  -6.055084      4.459904  
1 1 1 38 2  6  f 101.4629 2.756216  103.4101       3.945422  95.17615       7.890843  111.6440       7.890843  97.40532 4.050520  105.5205 3.739009  -8.115204      5.512431  
1 1 1 38 2  7  o 117.8344 2.802221  139.3096       4.669702  139.1571       9.339403  139.4621       9.339403  117.7697 3.965114  117.8991 3.960762  -0.1294098     5.604441  
1 1 1 38 2  8  o 105.6111 2.907303  112.3397       4.321856  99.84585       8.643713  124.8335       8.643713  99.69609 4.335032  111.5261 3.875196  -11.83004      5.814606  
1 1 1 38 2  9  o 73.27142 5.748993  55.25496       5.870482  44.64807       11.74096  65.86185       11.74096  66.03333 8.890181  80.50950 7.291665  -14.47617      11.49799  
1 1 1 38 2  10 o 59.59008 6.558777  38.54410       5.093787  23.45334       10.18757  53.63486       10.18757  46.55852 11.08476  72.62165 7.014144  -26.06313      13.11755  
1 1 1 38 2  11 o 103.7897 3.835659  109.8952       5.551227  130.7612       11.10245  89.02930       11.10245  113.8417 4.876268  93.73767 5.922088  20.10405       7.671318  
1 1 1 38 2  12 o 38.38457 9.447773  14.76674       6.304098  15.75310       12.60820  13.78039       12.60820  39.20269 13.38654  37.56644 13.33575  1.636253       18.89555  
1 1 1 38 2  13 o 111.0278 5.359053  127.5639       8.319694  106.1357       16.63939  148.9921       16.63939  101.3778 8.206619  120.6777 6.894143  -19.29988      10.71811  
1 1 1 38 2  14 o 100.2355 6.128469  104.5108       8.686600  106.0594       17.37320  102.9622       17.37320  101.0080 8.599915  99.46299 8.733499  1.544983       12.25694  
1 1 1 38 2  15 o 40.43066 11.13917  12.05545       9.930264  -2.906651      19.86053  27.01756       19.86053  32.73302 14.66451  48.12830 16.77131  -15.39528      22.27835  
1 1 1 38 2  16 o 70.34171 10.62681  60.75378       10.63548  36.90971       21.27097  84.59785       21.27097  53.72834 17.38156  86.95509 12.23101  -33.22676      21.25362  
1 1 1 38 2  17 o 88.04075 6.806003  86.07022       8.238688  107.2792       16.47738  64.86121       16.47738  100.0858 8.231629  75.99574 10.84099  24.09001       13.61201  
1 1 1 38 3  0  o 62.50016 6.043079  40.23568       7.423873  40.23568       7.423873  40.23568       7.423873  62.50016 6.043079  62.50016 6.043079  0.000000       0.000000  
1 1 1 38 3  1  o 170.2285 1.655315  290.0504       3.983541  281.0112       7.967083  299.0896       7.967083  167.5735 2.377191  172.8835 2.304177  -5.310028      3.310629  
1 1 1 38 3  2  o 243.5156 1.748380  593.9861       6.013433  559.3636       12.02687  628.6086       12.02687  236.4067 2.543681  250.6245 2.399379  -14.21779      3.496760  
1 1 1 38 3  3  o 219.5736 1.669686  482.5470       5.184323  489.8994       10.36865  475.1945       10.36865  221.2479 2.343219  217.8994 2.379228  3.348480       3.339371  
1 1 1 38 3  4  o 129.8885 2.155869  169.2386       3.950187  183.0428       7.900373  155.4344       7.900373  135.2024 2.921683  124.5747 3.170939  10.62774       4.311738  
1 1 1 38 3  5  o 160.4313 2.345470  257.9772       5.317742  269.1464       10.63548  246.8080       10.63548  163.9123 3.244262  156.9503 3.388169  6.961960       4.690941  
1 1 1 38 3  6  o 118.8806 2.546180  141.7207       4.278972  146.3618       8.557944  137.0796       8.557944  120.8326 3.541239  116.9286 3.659474  3.904015       5.092360  
1 1 1 38 3  7  f 69.95238 4.569099  49.85621       4.450512  39.91165       8.901024  59.80078       8.901024  62.84430 7.081807  77.06048 5.775350  -14.21618      9.138198  
1 1 1 38 3  8  o 121.6642 2.855114  148.7109       4.907952  141.3681       9.815904  156.0538       9.815904  118.6465 4.136618  124.6818 3.936381  -6.035347      5.710228  
1 1 1 38 3  9  o 46.91533 7.288338  23.63918       4.717352  27.68466       9.434704  19.59369       9.434704  51.14040 9.578548  42.69026 10.98776  8.450142       14.57668  
1 1 1 38 3  10 o 70.57472 4.773506  50.75204       4.741177  56.42715       9.482354  45.07692       9.482354  74.59536 6.355860  66.55408 7.123797  8.041283       9.547012  
1 1 1 38 3  11 o 55.78787 7.563375  33.25495       5.818067  27.19863       11.63613  39.31126       11.63613  49.90672 11.82420  61.66903 9.434342  -11.76230      15.12675  
1 1 1 38 3  12 o 29.74257 9.220639  -1.443796      7.419108  -0.6480404     14.83822  -2.239551      14.83822  30.11441 13.12501  29.37074 12.95434  0.7436790      18.44128  
1 1 1 38 3  13 o 77.38577 5.675488  61.80207       6.204032  65.13757       12.40806  58.46657       12.40806  79.54089 7.799803  75.23066 8.246681  4.310226       11.35098  
1 1 1 38 3  14 o 72.25656 7.895666  60.35827       7.157033  92.42198       14.31407  28.29458       14.31407  94.69300 7.558144  49.82012 13.86509  44.87288       15.79133  
1 1 1 38 3  15 o 23.40559 7.906637  -22.21920      7.666887  -37.89130      15.33377  -6.547113      15.33377  19.31875 9.644428  27.49242 12.53174  -8.173666      15.81327  
1 1 1 38 3  16 o 145.2870 4.387952  217.6319       9.015384  219.9430       18.03077  215.3209       18.03077  146.0824 6.171438  144.4917 6.239377  1.590668       8.775904  
1 1 1 38 3  17 o 119.8839 5.389282  152.6230       9.120214  162.7058       18.24043  142.5403       18.24043  124.0891 7.349730  115.6787 7.884092  8.410423       10.77856  
1 1 1 38 4  0  o 28.26513 12.90747  11.74096       7.881313  11.74096       7.881313  11.74096       7.881313  28.26513 12.90747  28.26513 12.90747  0.000000       0.000000  
1 1 1 38 4  1  o 220.7908 1.844018  488.2840       5.751357  515.0396       11.50271  461.5285       11.50271  226.8498 2.535315  214.7317 2.678392  12.11804       3.688035  
1 1 1 38 4  2  o 85.60474 2.191513  73.44774       2.649341  68.93051       5.298682  77.96497       5.298682  82.96632 3.193273  88.24315 3.002319  -5.276833      4.383026  
1 1 1 38 4  3  o 82.02811 2.263354  67.55344       2.615986  74.21014       5.231973  60.89672       5.231973  86.08568 3.038817  77.97053 3.355096  8.115150       4.526707  
1 1 1 38 4  4  o 80.86359 2.827383  65.71890       3.221142  72.28508       6.442283  59.15273       6.442283  84.92362 3.792986  76.80356 4.194000  8.120064       5.654766  
1 1 1 38 4  5  o 138.1203 2.342027  191.1385       4.574402  188.5416       9.148804  193.7355       9.148804  137.1803 3.334592  139.0604 3.289506  -1.880188      4.684053  
1 1 1 38 4  6  o 131.2821 2.480480  175.6904       4.488632  130.6754       8.977263  220.7054       8.977263  114.1378 3.932643  148.4265 3.024144  -34.28873      4.960961  
1 1 1 38 4  7  o 113.7903 2.752679  130.0464       4.421922  138.9189       8.843843  121.1740       8.843843  117.6889 3.757298  109.8917 4.023890  7.797180       5.505359  
1 1 1 38 4  8  o 160.5955 2.382041  258.7158       5.408277  251.1918       10.81655  266.2397       10.81655  158.2530 3.417489  162.9380 3.319225  -4.685013      4.764082  
1 1 1 38 4  9  o 126.8985 3.256785  162.7963       5.803772  140.7677       11.60754  184.8249       11.60754  118.2188 4.909346  135.5781 4.280760  -17.35925      6.513570  
1 1 1 38 4  10 o 35.15674 8.437723  11.77432       5.179556  16.82999       10.35911  6.718653       10.35911  39.75499 12.01561  30.55850 11.84929  9.196489       16.87545  
1 1 1 38 4  11 o 100.8475 3.443427  102.6572       4.907952  106.8027       9.815904  98.51164       9.815904  102.9028 4.769501  98.79212 4.967959  4.110718       6.886855  
1 1 1 38 4  12 f 60.29339 9.047338  41.01714       7.833663  20.67058       15.66733  61.36370       15.66733  44.04261 14.92243  76.54417 10.23417  -32.50157      18.09468  
1 1 1 38 4  13 o 53.30527 8.795751  31.50620       7.157033  13.75180       14.31407  49.26059       14.31407  38.22499 14.13966  68.38555 10.46571  -30.16056      17.59150  
1 1 1 38 4  14 o 42.22270 8.550040  5.393982       8.262513  45.16269       16.52503  -34.37473      16.52503  63.15958 13.47894  21.28583 10.52287  41.87376       17.10008  
1 1 1 38 4  15 o 59.96790 9.220749  41.21727       7.604944  37.90083       15.20989  44.53371       15.20989  57.23523 13.49173  62.70056 12.57228  -5.465336      18.44150  
1 1 1 38 4  16 o 42.17044 15.55784  19.98442       17.30649  19.98442       17.30649  ?              ?         42.17044 15.55784  ?        ?         ?              ?         
1 1 1 38 5  0  o 163.0165 3.350008  266.2778       10.91185  266.2778       10.91185  266.2778       10.91185  163.0165 3.350008  163.0165 3.350008  0.000000       0.000000  
1 1 1 38 5  1  o 216.6699 1.691929  469.8244       5.184323  467.5705       10.36865  472.0783       10.36865  216.1498 2.398485  217.1900 2.386998  -1.040222      3.383858  
1 1 1 38 5  2  o 204.3880 1.689731  418.0860       4.884127  419.1010       9.768253  417.0711       9.768253  204.6363 2.386736  204.1397 2.392542  0.4966125      3.379462  
1 1 1 38 5  3  o 120.6285 1.870320  146.1903       3.173491  128.7408       6.346982  163.6397       6.346982  113.3957 2.798599  127.8612 2.481982  -14.46544      3.740640  
1 1 1 38 5  4  o 154.0108 1.910794  237.5449       4.159847  229.1775       8.319694  245.9122       8.319694  151.2943 2.749507  156.7272 2.654195  -5.432953      3.821589  
1 1 1 38 5  5  o 112.1783 2.796365  126.5441       4.417156  113.0449       8.834313  140.0434       8.834313  106.1615 4.160790  118.1952 3.737170  -12.03374      5.592730  
1 1 1 38 5  6  f 58.53465 4.921682  34.78452       4.040722  39.86400       8.081444  29.70502       8.081444  62.87353 6.426746  54.19578 7.455787  8.677753       9.843365  
1 1 1 38 5  7  o 89.09424 3.416737  80.02821       4.283737  70.90323       8.567473  89.15318       8.567473  83.97327 5.101310  94.21521 4.546757  -10.24194      6.833474  
1 1 1 38 5  8  o 94.30711 3.827556  89.76311       5.093787  83.00633       10.18757  96.51987       10.18757  90.72478 5.614549  97.88943 5.203613  -7.164642      7.655112  
1 1 1 38 5  9  o 186.0952 2.643199  348.5218       6.933078  315.8053       13.86616  381.2383       13.86616  177.3050 3.910256  194.8855 3.557514  -17.58052      5.286398  
1 1 1 38 5  10 o 34.12094 8.663666  8.853374       5.794242  -0.2382501     11.58848  17.94500       11.58848  27.15625 11.71385  41.08564 12.76801  -13.92939      17.32733  
1 1 1 38 5  11 o 43.25081 7.464868  17.27313       5.932428  38.72041       11.86486  -4.174142      11.86486  61.14610 9.702053  25.35551 11.34756  35.79059       14.92974  
1 1 1 38 5  12 o 48.56563 8.365061  26.05979       5.698943  24.56835       11.39789  27.55124       11.39789  47.10778 12.04882  50.02348 11.60702  -2.915695      16.73012  
1 1 1 38 5  13 o 21.90741 7.559577  -26.00738      7.666887  -27.82761      15.33377  -24.18715      15.33377  21.48905 10.53064  22.32578 10.84871  -0.8367348     15.11915  
1 1 1 38 5  14 o 60.76369 9.204309  42.03208       7.938493  25.36887       15.87699  58.69530       15.87699  47.22608 14.99084  74.30129 10.68419  -27.07521      18.40862  
1 1 1 38 5  15 o 127.0798 5.786409  168.6906       10.39723  165.0501       20.79447  172.3311       20.79447  125.6474 8.274928  128.5121 8.090469  -2.864708      11.57282  
1 1 1 38 5  16 o 49.58014 16.30189  30.84862       18.69787  30.84862       18.69787  ?              ?         49.58014 16.30189  ?        ?         ?              ?         
1 1 1 38 6  0  o 250.7984 3.615355  629.9618       18.12607  629.9618       18.12607  629.9618       18.12607  250.7984 3.615355  250.7984 3.615355  0.000000       0.000000  
1 1 1 38 6  1  o 118.8777 1.945834  141.9542       3.254497  158.5125       6.508993  125.3958       6.508993  125.8421 2.586174  111.9132 2.908054  13.92892       3.891667  
1 1 1 38 6  2  o 142.2425 1.888530  203.7753       3.764351  235.3816       7.528703  172.1691       7.528703  153.3525 2.454705  131.1326 2.870646  22.21997       3.777060  
1 1 1 38 6  3  o 69.17701 2.836686  49.43689       2.649341  66.22400       5.298682  32.64980       5.298682  81.31045 3.258303  57.04357 4.644417  24.26688       5.673372  
1 1 1 38 6  4  o 163.6287 1.626940  267.9980       3.764351  263.0376       7.528703  272.9584       7.528703  162.1130 2.322054  165.1444 2.279430  -3.031464      3.253880  
1 1 1 38 6  5  o 19.96586 6.201112  -1.658221      3.368856  -1.925061      6.737713  -1.391381      6.737713  19.78082 8.726343  20.15089 8.812836  -0.3700676     12.40222  
1 1 1 38 6  6  o 80.36186 3.505448  64.96604       3.978776  68.74945       7.957553  61.18263       7.957553  82.71585 4.810174  78.00788 5.100480  4.707970       7.010897  
1 1 1 38 6  7  o 232.9228 2.267156  543.7916       7.466758  555.5325       14.93352  532.0506       14.93352  235.4431 3.171364  230.4024 3.240746  5.040710       4.534312  
1 1 1 38 6  8  o 25.48351 7.453920  1.705871       4.445747  -1.400911      8.891494  4.812652       8.891494  23.23957 10.14407  27.72744 10.92435  -4.487871      14.90784  
1 1 1 38 6  9  o 297.8977 2.722624  892.1418       11.45506  944.7475       22.91013  839.5362       22.91013  306.7272 3.734610  289.0683 3.962754  17.65894       5.445249  
1 1 1 38 6  10 o 134.1708 3.278110  181.4131       6.218328  176.4671       12.43666  186.3592       12.43666  132.3276 4.699191  136.0140 4.571828  -3.686417      6.556219  
1 1 1 38 6  11 o 102.1462 3.637764  105.4924       5.246267  112.4350       10.49253  98.54977       10.49253  105.5445 4.970667  98.74780 5.312794  6.796738       7.275528  
1 1 1 38 6  12 o 214.9724 3.002827  466.7796       9.110683  432.8719       18.22137  500.6873       18.22137  207.0858 4.399472  222.8589 4.088095  -15.77307      6.005653  
1 1 1 38 6  13 o 58.41324 8.796899  37.94847       7.223743  26.04550       14.44749  49.85145       14.44749  48.07243 14.11213  68.75404 10.50665  -20.68161      17.59380  
1 1 1 38 6  14 o 100.7598 4.977351  104.4488       7.085558  109.6427       14.17112  99.25500       14.17112  103.3371 6.856742  98.18240 7.216729  5.154694       9.954701  
1 1 1 38 6  15 o 157.1192 4.532194  253.8460       10.06368  264.3623       20.12737  243.3296       20.12737  160.4658 6.271546  153.7725 6.544527  6.693237       9.064387  
1 1 1 38 6  16 o 36.41777 15.46873  8.405463       19.66040  8.405463       19.66040  ?              ?         36.41777 15.46873  ?        ?         ?              ?         
1 1 1 38 7  0  o 50.54467 8.739243  27.59889       8.110033  27.59889       8.110033  27.59889       8.110033  50.54467 8.739243  50.54467 8.739243  0.000000       0.000000  
1 1 1 38 7  1  o 149.6012 1.734093  224.7699       3.649991  250.9536       7.299983  198.5862       7.299983  158.3523 2.304981  140.8500 2.591403  17.50233       3.468185  
1 1 1 38 7  2  o 286.8471 1.915064  823.8688       7.766953  844.0439       15.53391  803.6937       15.53391  290.3638 2.674905  283.3304 2.741306  7.033356       3.830127  
1 1 1 38 7  3  o 48.81306 3.841638  24.03944       2.635046  20.92789       5.270092  27.15098       5.270092  45.62586 5.775334  52.00027 5.067370  -6.374409      7.683276  
1 1 1 38 7  4  o 231.6597 1.801116  537.3493       5.899073  552.1208       11.79815  522.5778       11.79815  234.8479 2.511869  228.4715 2.581972  6.376389       3.602231  
1 1 1 38 7  5  o 80.82622 3.355835  65.60931       3.835827  66.09058       7.671653  65.12805       7.671653  81.12393 4.728354  80.52850 4.763316  0.5954361      6.711669  
1 1 1 38 7  6  o 117.6152 2.915214  140.3293       4.769767  169.2910       9.539534  111.3676       9.539534  129.9273 3.671105  105.3032 4.529556  24.62410       5.830429  
1 1 1 38 7  7  o 175.6165 2.199793  309.8919       5.441632  278.0855       10.88326  341.6983       10.88326  166.5608 3.267054  184.6721 2.946646  -18.11128      4.399587  
1 1 1 38 7  8  o 134.1439 2.567636  180.6746       4.869832  185.2537       9.739664  176.0954       9.739664  135.8507 3.584693  132.4371 3.677090  3.413620       5.135272  
1 1 1 38 7  9  o 34.63107 7.978966  11.80291       4.622052  16.18195       9.244103  7.423873       9.244103  38.99063 11.23790  30.27149 11.32984  8.719143       15.95793  
1 1 1 38 7  10 o 63.76754 5.817058  43.20427       4.879362  57.05613       9.758724  29.35241       9.758724  74.97638 6.507865  52.55869 9.643667  22.41769       11.63412  
1 1 1 38 7  11 o 104.1913 4.070632  110.1811       5.975312  99.26451       11.95062  121.0978       11.95062  98.95255 6.038564  109.4300 5.460396  -10.47748      8.141264  
1 1 1 38 7  12 o 35.75963 8.600411  12.43666       5.432102  6.327922       10.86420  18.54539       10.86420  30.39815 12.04418  41.12112 12.28031  -10.72297      17.20082  
1 1 1 38 7  13 o 126.6259 4.392933  163.5015       7.862253  157.2832       15.72451  169.7198       15.72451  124.1705 6.331822  129.0813 6.090933  -4.910797      8.785866  
1 1 1 38 7  14 o 95.62718 7.342152  99.39796       9.510945  68.49214       19.02189  130.3037       19.02189  79.46765 11.96832  111.7867 8.508117  -32.31907      14.68430  
1 1 1 38 7  15 o 43.26308 9.200799  19.73664       7.018848  35.47068       14.03770  4.002602       14.03770  55.44215 12.89223  31.08402 13.13047  24.35813       18.40160  
1 1 1 38 7  16 o 85.37206 7.287524  79.87097       8.786664  75.49670       17.57333  84.24524       17.57333  82.81017 10.61061  87.93394 9.992346  -5.123772      14.57505  
1 1 1 38 8  0  o 143.6947 3.829435  207.1537       10.98809  207.1537       10.98809  207.1537       10.98809  143.6947 3.829435  143.6947 3.829435  0.000000       0.000000  
1 1 1 38 8  1  o 130.3855 1.894771  170.3822       3.487981  159.0272       6.975962  181.7372       6.975962  126.0311 2.767557  134.7399 2.588678  -8.708801      3.789542  
1 1 1 38 8  2  o 339.3669 2.181503  1153.516       10.46871  1173.124       20.93742  1133.908       20.93742  342.2558 3.058738  336.4780 3.111261  5.777802       4.363007  
1 1 1 38 8  3  o 136.7115 1.853480  187.1169       3.583282  184.7201       7.166563  189.5137       7.166563  135.8349 2.637969  137.5880 2.604355  -1.753159      3.706959  
1 1 1 38 8  4  o 129.3765 1.885568  167.5946       3.449862  168.9670       6.899723  166.2223       6.899723  129.9069 2.655642  128.8462 2.677504  1.060715       3.771136  
1 1 1 38 8  5  o 87.27081 3.059420  76.47351       3.773881  79.36588       7.547763  73.58116       7.547763  88.92793 4.243753  85.61369 4.408035  3.314232       6.118840  
1 1 1 38 8  6  o 93.89767 2.989106  88.50037       3.969247  88.88634       7.938493  88.11441       7.938493  94.10320 4.217972  93.69215 4.236477  0.4110489      5.978213  
1 1 1 38 8  7  o 36.57952 7.844535  13.85186       4.436216  11.80767       8.872433  15.89605       8.872433  34.38089 11.22957  38.77816 10.95644  -4.397263      15.68907  
1 1 1 38 8  8  o 89.38895 3.799591  80.60477       4.803122  79.91861       9.606244  81.29093       9.606244  89.00513 5.396455  89.77275 5.350312  -0.7676163     7.599182  
1 1 1 38 8  9  o 127.1811 2.970518  162.8868       5.332037  151.0220       10.66407  174.7517       10.66407  122.5165 4.352096  131.8456 4.044151  -9.329102      5.941035  
1 1 1 38 8  10 o 75.04926 6.797203  58.30933       7.190388  53.01541       14.38078  63.60325       14.38078  71.52229 10.05335  78.57622 9.150845  -7.053925      13.59441  
1 1 1 38 8  11 o 142.2810 3.097632  203.9373       6.232623  206.2388       12.46525  201.6358       12.46525  143.0898 4.355742  141.4722 4.405544  1.617584       6.195265  
1 1 1 38 8  12 o 122.2488 4.716192  152.8517       8.148153  159.1797       16.29631  146.5238       16.29631  124.8370 6.527037  119.6607 6.809381  5.176262       9.432384  
1 1 1 38 8  13 o 34.82404 9.394652  9.758723       6.575703  14.67621       13.15141  4.841242       13.15141  38.27660 13.61676  31.37148 12.94688  6.905115       18.78930  
1 1 1 38 8  14 o 53.16303 8.766716  31.98269       7.080793  49.08905       14.16159  14.87634       14.16159  67.82493 10.43981  38.50113 14.08658  29.32380       17.53343  
1 1 1 38 8  15 o 87.24093 6.965318  83.25411       8.257749  108.0131       16.51550  58.49516       16.51550  101.4309 8.141254  73.05094 11.30410  28.37997       13.93064  
1 1 1 38 8  16 o 60.26005 9.750179  44.02861       8.200569  34.91793       16.40114  53.13930       16.40114  53.00066 14.87133  67.51945 12.61378  -14.51879      19.50036  
1 1 1 38 8  17 o 36.87400 12.06120  15.81028       10.23522  15.81028       10.23522  ?              ?         36.87400 12.06120  ?        ?         ?              ?         
1 1 1 38 9  0  o 534.7053 6.030319  2868.407       64.47047  2868.407       64.47047  2868.407       64.47047  534.7053 6.030319  534.7053 6.030319  0.000000       0.000000  
1 1 1 38 9  1  o 140.6990 1.793757  198.3479       3.564222  210.4129       7.128443  186.2830       7.128443  144.9865 2.458312  136.4115 2.612845  8.575027       3.587514  
1 1 1 38 9  2  o 94.32942 2.421235  89.57251       3.206846  77.25975       6.413693  101.8853       6.413693  87.80295 3.652322  100.8559 3.179632  -13.05295      4.842470  
1 1 1 38 9  3  f 141.7016 1.928511  201.0545       3.864417  203.6848       7.728833  198.4242       7.728833  142.6297 2.709405  140.7735 2.745131  1.856216       3.857022  
1 1 1 38 9  4  o 140.2757 1.890461  197.0424       3.750056  194.4883       7.500113  199.5964       7.500113  139.3654 2.690809  141.1861 2.656109  -1.820709      3.780922  
1 1 1 38 9  5  o 48.27969 5.872696  26.24087       3.711936  42.76113       7.423873  9.720604       7.423873  65.17262 5.695547  31.38677 10.27205  33.78584       11.74539  
1 1 1 38 9  6  o 99.51237 2.820601  99.83632       3.940656  113.6358       7.881313  86.03687       7.881313  106.4459 3.702027  92.57883 4.256542  13.86707       5.641201  
1 1 1 38 9  7  o 86.47266 3.234096  75.41569       3.935891  83.91168       7.871783  66.91969       7.871783  91.38519 4.306925  81.56013 4.825755  9.825066       6.468192  
1 1 1 38 9  8  o 69.25636 4.587758  48.57443       4.493397  48.50772       8.986794  48.64114       8.986794  69.20820 6.492579  69.30452 6.483555  -0.9632111E-01 9.175515  
1 1 1 38 9  9  o 117.2141 3.170529  138.4138       5.251032  145.0657       10.50206  131.7618       10.50206  120.0516 4.373979  114.3766 4.591003  5.675041       6.341057  
1 1 1 38 9  10 o 102.6412 4.001881  106.6074       5.808537  105.0874       11.61707  108.1274       11.61707  101.9007 5.700194  103.3816 5.618540  -1.480919      8.003762  
1 1 1 38 9  11 o 76.10923 5.734964  59.57206       6.151618  65.11852       12.30324  54.02559       12.30324  79.75298 7.713339  72.46548 8.489033  7.287506       11.46993  
1 1 1 38 9  12 o 76.14400 5.650822  59.81506       6.084907  59.40051       12.16981  60.22962       12.16981  75.87177 8.019988  76.41621 7.962849  -0.5444412     11.30164  
1 1 1 38 9  13 o 118.8494 5.167341  145.2039       8.681833  149.7354       17.36367  140.6724       17.36367  120.7558 7.189579  116.9430 7.423988  3.812828       10.33468  
1 1 1 38 9  14 o 84.42397 6.263266  74.96301       7.457228  81.09080       14.91446  68.83521       14.91446  88.05315 8.469007  80.79479 9.229837  7.258354       12.52653  
1 1 1 38 9  15 o 33.77729 9.723252  -10.35911      9.439469  -46.57313      18.87894  25.85490       18.87894  21.10053 10.55023  46.45406 16.33582  -25.35353      19.44650  
1 1 1 38 9  16 o 56.38766 8.189624  36.72863       6.423223  26.24563       12.84645  47.21164       12.84645  46.82954 13.16849  65.94579 9.740156  -19.11625      16.37925  
1 1 1 38 9  17 o 55.81285 10.81889  35.98529       11.64566  35.98529       11.64566  ?              ?         55.81285 10.81889  ?        ?         ?              ?         
1 1 1 38 10 0  o 198.2155 3.512230  393.6559       13.91381  393.6559       13.91381  393.6559       13.91381  198.2155 3.512230  198.2155 3.512230  0.000000       0.000000  
1 1 1 38 10 1  f 124.1803 2.053828  154.8197       3.592812  170.5585       7.185624  139.0809       7.185624  130.5173 2.752746  117.8432 3.048807  12.67415       4.107656  
1 1 1 38 10 2  o 89.45937 2.516147  80.20451       3.183021  78.99421       6.366043  81.41482       6.366043  88.78291 3.585174  90.13583 3.531361  -1.352913      5.032294  
1 1 1 38 10 3  o 222.0351 1.775528  493.5637       5.575052  488.8034       11.15010  498.3239       11.15010  220.9632 2.523068  223.1071 2.498824  -2.143890      3.551055  
1 1 1 38 10 4  o 40.39096 5.329919  18.08795       2.968596  29.94327       5.937192  6.232623       5.937192  54.56089 5.440887  26.22103 9.166727  28.33986       10.65984  
1 1 1 38 10 5  o 60.06560 4.154772  37.03836       3.426036  47.17352       6.852073  26.90320       6.852073  68.50234 5.001342  51.62886 6.635895  16.87349       8.309545  
1 1 1 38 10 6  o 91.49878 3.332341  84.61214       4.274207  97.43476       8.548413  71.78951       8.548413  98.50577 4.339042  84.49179 5.058724  14.01398       6.664681  
1 1 1 38 10 7  o 29.31857 7.274580  7.867018       3.750056  6.623353       7.500113  9.110683       7.500113  28.00266 10.25082  30.63447 10.32466  -2.631809      14.54916  
1 1 1 38 10 8  o 155.4073 2.339393  242.4528       5.136672  254.5369       10.27334  230.3688       10.27334  159.2952 3.224625  151.5195 3.390107  7.775711       4.678786  
1 1 1 38 10 9  o 132.9720 2.758307  177.8203       5.184323  171.2351       10.36865  184.4056       10.36865  130.4959 3.972786  135.4482 3.827531  -4.952347      5.516613  
1 1 1 38 10 10 o 54.58973 7.501036  32.31148       5.613173  21.65217       11.22635  42.97079       11.22635  44.54320 12.23299  64.63625 8.684248  -20.09306      15.00207  
1 1 1 38 10 11 o 53.62231 7.407221  30.71520       5.498813  26.61730       10.99763  34.81310       10.99763  49.34502 11.36978  57.89960 9.497151  -8.554581      14.81444  
1 1 1 38 10 12 o 87.40240 5.325148  78.75119       6.547113  87.86665       13.09423  69.63574       13.09423  92.61705 7.069015  82.18776 7.966043  10.42929       10.65030  
1 1 1 38 10 13 o 135.2822 4.621655  187.2884       8.829549  198.5290       17.65910  176.0478       17.65910  139.4367 6.332300  131.1276 6.733553  8.309036       9.243309  
1 1 1 38 10 14 o 66.80620 10.28353  52.31018       9.711073  67.22465       19.42215  37.39573       19.42215  78.12299 12.43049  55.48941 16.38557  22.63357       20.56706  
1 1 1 38 10 15 o 42.66872 8.873262  21.05178       5.727532  23.25321       11.45506  18.85035       11.45506  44.78462 12.38242  40.55283 12.71278  4.231789       17.74652  
1 1 1 38 10 16 f 70.57941 6.969314  55.78387       6.499463  72.11354       12.99893  39.45421       12.99893  82.56959 7.871498  58.58924 11.50325  23.98035       13.93863  
1 1 1 38 10 17 o 111.5248 5.215563  133.1913       8.152919  114.0170       16.30584  152.3657       16.30584  102.9283 7.920968  120.1212 6.787243  -17.19291      10.43113  
1 1 1 38 11 0  o 92.49703 4.844774  86.42761       8.910554  86.42761       8.910554  86.42761       8.910554  92.49703 4.844774  92.49703 4.844774  0.000000       0.000000  
1 1 1 38 11 1  o 34.57761 5.793396  12.17934       3.163961  3.602341       6.327922  20.75635       6.327922  23.78508 9.253202  45.37014 6.973665  -21.58505      11.58679  
1 1 1 38 11 2  o 99.71001 2.387880  99.68384       3.364091  94.76637       6.728183  104.6013       6.728183  97.24412 3.459429  102.1759 3.292451  -4.931778      4.775760  
1 1 1 38 11 3  o 56.57805 3.840716  32.28765       3.059131  28.76155       6.118262  35.81376       6.118262  53.46191 5.722076  59.69419 5.124671  -6.232277      7.681433  
1 1 1 38 11 4  o 203.8237 1.906449  416.6137       5.484517  446.7380       10.96903  386.4893       10.96903  211.2135 2.596670  196.4339 2.792042  14.77960       3.812899  
1 1 1 38 11 5  o 96.65221 2.485573  93.74664       3.392681  99.46465       6.785362  88.02864       6.785362  99.61024 3.405956  93.69418 3.621016  5.916054       4.971147  
1 1 1 38 11 6  o 134.2641 2.352452  181.9468       4.421922  211.5089       8.843843  152.3848       8.843843  145.2730 3.043870  123.2552 3.587615  22.01785       4.704904  
1 1 1 38 11 7  o 85.54413 3.511576  73.90995       4.231322  66.36695       8.462644  81.45294       8.462644  81.13529 5.215144  89.95296 4.703927  -8.817673      7.023151  
1 1 1 38 11 8  o 139.2396 2.552480  194.7504       5.022312  203.5609       10.04462  185.9399       10.04462  142.4034 3.526821  136.0758 3.690819  6.327560       5.104959  
1 1 1 38 11 9  o 58.77636 5.425635  35.34202       4.493397  31.92551       8.986794  38.75853       8.986794  55.87000 8.042594  61.68272 7.284693  -5.812725      10.85127  
1 1 1 38 11 10 o 197.3208 2.675314  391.5831       7.461993  405.4921       14.92399  377.6740       14.92399  200.8453 3.715294  193.7963 3.850430  7.048950       5.350629  
1 1 1 38 11 11 o 30.50898 8.892596  3.873947       6.280273  7.776483       12.56055  -0.2859001E-01 12.56055  32.91468 12.97904  28.10328 12.15967  4.811401       17.78519  
1 1 1 38 11 12 o 106.2414 4.569822  116.1993       6.766303  138.4805       13.53261  93.91819       13.53261  116.7275 5.796665  95.75533 7.066242  20.97218       9.139645  
1 1 1 38 11 13 o 56.55408 8.277293  35.41826       6.404162  32.34483       12.80832  38.49169       12.80832  53.83604 12.17898  59.27211 11.21280  -5.436077      16.55459  
1 1 1 38 11 14 f 46.01909 7.725966  23.87742       5.079492  15.91511       10.15898  31.83974       10.15898  37.98270 11.98464  54.05547 9.753499  -16.07277      15.45193  
1 1 1 38 11 15 o 48.26962 8.800388  27.13669       6.242152  18.48821       12.48430  35.78516       12.48430  40.34194 13.32060  56.19730 11.50430  -15.85536      17.60078  
1 1 1 38 11 16 o 122.0463 4.179885  154.1383       7.214212  155.5678       14.42842  152.7088       14.42842  122.6319 5.882817  121.4607 5.939547  1.171272       8.359770  
1 1 1 38 11 17 o 26.78222 12.25134  -3.049601      14.84775  -3.049601      14.84775  ?              ?         26.78222 12.25134  ?        ?         ?              ?         
1 1 1 38 12 0  o 128.0983 4.033621  164.8214       10.31146  164.8214       10.31146  164.8214       10.31146  128.0983 4.033621  128.0983 4.033621  0.000000       0.000000  
1 1 1 38 12 1  o 221.9828 1.804733  493.3588       5.665587  491.4528       11.33117  495.2648       11.33117  221.5535 2.557210  222.4121 2.547338  -0.8586273     3.609467  
1 1 1 38 12 2  o 30.17717 6.482704  9.306048       3.011481  8.653244       6.022963  9.958854       6.022963  29.31370 9.223945  31.04065 9.111567  -1.726954      12.96541  
1 1 1 38 12 3  o 222.9149 1.810784  497.5805       5.708472  496.5037       11.41694  498.6575       11.41694  222.6733 2.563609  223.1564 2.558059  -0.4831085     3.621568  
1 1 1 38 12 4  o 77.86453 3.161205  62.41200       3.349797  81.77696       6.699593  43.04703       6.699593  90.29957 3.709649  65.42949 5.119705  24.87008       6.322410  
1 1 1 38 12 5  o 51.09288 4.863528  26.40764       3.507041  28.33270       7.014082  24.48258       7.014082  52.97676 6.619962  49.20899 7.126831  3.767769       9.727056  
1 1 1 38 12 6  o 117.3831 2.429290  138.2565       4.031191  142.6642       8.062383  133.8489       8.062383  119.2606 3.380154  115.5057 3.490037  3.754898       4.858580  
1 1 1 38 12 7  o 125.2052 2.495218  157.3785       4.417156  161.3239       8.834313  153.4331       8.834313  126.7808 3.484089  123.6297 3.572894  3.151169       4.990436  
1 1 1 38 12 8  o 115.7823 2.806839  136.3648       4.512457  165.9745       9.024914  106.7551       9.024914  128.5692 3.509751  102.9956 4.381215  25.57360       5.613679  
1 1 1 38 12 9  o 147.6013 2.507429  219.1615       5.222442  202.4363       10.44488  235.8866       10.44488  141.9356 3.679444  153.2669 3.407416  -11.33131      5.014857  
1 1 1 38 12 10 o 82.63319 3.743488  69.01152       4.374272  70.08365       8.748544  67.93940       8.748544  83.28191 5.252367  81.98447 5.335489  1.297447       7.486976  
1 1 1 38 12 11 o 104.5442 3.265209  110.5290       4.822182  116.4757       9.644363  104.5823       9.644363  107.3883 4.490417  101.7001 4.741573  5.688232       6.530418  
1 1 1 38 12 12 o 58.84493 6.625131  36.75246       5.341567  41.88437       10.68313  31.62055       10.68313  63.61829 8.396276  54.07157 10.25046  9.546722       13.25026  
1 1 1 38 12 13 o 31.09929 8.072269  5.922898       5.289153  16.52503       10.57831  -4.679232      10.57831  38.92277 12.21953  23.27581 10.55126  15.64696       16.14454  
1 1 1 38 12 14 o 55.69381 8.199226  34.92746       6.380337  23.87266       12.76067  45.98227       12.76067  45.58971 13.22422  65.79791 9.696869  -20.20820      16.39845  
1 1 1 38 12 15 o 31.38852 9.029297  4.340917       6.737713  -5.460692      13.47543  14.14252       13.47543  25.78214 11.75100  36.99491 13.71229  -11.21277      18.05859  
1 1 1 38 12 16 o 85.16995 6.363366  79.39922       7.514408  62.75508       15.02882  96.04338       15.02882  75.39881 9.966216  94.94109 7.914811  -19.54227      12.72673  
1 1 1 38 12 17 o 35.16002 14.16035  15.46720       15.30519  15.46720       15.30519  ?              ?         35.16002 14.16035  ?        ?         ?              ?         
1 1 1 38 13 0  o 149.2577 3.958436  223.5930       11.79815  223.5930       11.79815  223.5930       11.79815  149.2577 3.958436  149.2577 3.958436  0.000000       0.000000  
1 1 1 38 13 1  o 85.46496 2.701838  73.56210       3.244966  83.05399       6.489933  64.07021       6.489933  91.01804 3.565190  79.91187 4.060681  11.10617       5.403676  
1 1 1 38 13 2  o 127.6194 2.083640  163.3252       3.754822  173.7320       7.509643  152.9184       7.509643  131.6967 2.851114  123.5421 3.039304  8.154526       4.167280  
1 1 1 38 13 3  o 93.15033 2.739497  87.45209       3.583282  75.50622       7.166563  99.39793       7.166563  86.73819 4.131146  99.56248 3.599028  -12.82429      5.478993  
1 1 1 38 13 4  o 163.1138 1.836140  267.0164       4.221792  291.8087       8.443583  242.2241       8.443583  170.7135 2.473027  155.5141 2.714732  15.19939       3.672279  
1 1 1 38 13 5  o 124.6656 2.246140  156.7924       3.921597  181.8420       7.843193  131.7428       7.843193  134.7123 2.911090  114.6188 3.421424  20.09345       4.492281  
1 1 1 38 13 6  o 164.4828 2.126640  271.2954       4.946072  265.7251       9.892144  276.8657       9.892144  162.7896 3.038323  166.1761 2.976404  -3.386536      4.253279  
1 1 1 38 13 7  o 55.63842 5.175079  31.64914       4.031191  36.71910       8.062383  26.57918       8.062383  60.19460 6.696933  51.08225 7.891570  9.112343       10.35016  
1 1 1 38 13 8  o 98.47116 3.234307  97.75878       4.498162  103.4958       8.996324  92.02171       8.996324  101.3842 4.436748  95.55809 4.707254  5.826134       6.468614  
1 1 1 38 13 9  o 58.02159 5.829761  35.37061       4.564872  43.25669       9.129744  27.48453       9.129744  65.17470 7.004055  50.86848 9.321355  14.30621       11.65952  
1 1 1 38 13 10 o 118.2340 3.008161  140.8487       5.027077  135.4500       10.05415  146.2474       10.05415  115.9509 4.335522  120.5171 4.171257  -4.566154      6.016323  
1 1 1 38 13 11 f 123.6396 3.123492  154.3765       5.460692  157.4357       10.92138  151.3174       10.92138  124.8767 4.372867  122.4025 4.461260  2.474220       6.246984  
1 1 1 38 13 12 o 54.45891 7.014529  33.18348       5.112847  17.41132       10.22569  48.95563       10.22569  39.90677 11.91323  69.01105 7.408738  -29.10427      14.02906  
1 1 1 38 13 13 o 72.74340 6.226202  56.28897       6.213562  71.32255       12.42712  41.25539       12.42712  83.07670 7.479308  62.41010 9.956020  20.66660       12.45240  
1 1 1 38 13 14 o 78.87634 5.765953  65.40919       6.375573  74.92489       12.75115  55.89347       12.75115  84.90839 7.508767  72.84431 8.752329  12.06408       11.53191  
1 1 1 38 13 15 o 43.74469 6.955582  14.07582       6.566173  -20.77541      13.13235  48.92704       13.13235  20.29513 9.901008  67.19425 9.771926  -46.89912      13.91116  
1 1 1 38 13 16 o 42.58070 14.32500  22.30974       14.43796  22.30974       14.43796  ?              ?         42.58070 14.32500  ?        ?         ?              ?         
1 1 1 38 14 0  o 20.94980 12.86900  4.107431       10.17804  4.107431       10.17804  4.107431       10.17804  20.94980 12.86900  20.94980 12.86900  0.000000       0.000000  
1 1 1 38 14 1  o 34.77694 6.189547  12.71302       3.225906  6.537583       6.451812  18.88847       6.451812  27.03127 9.545295  42.52262 7.882215  -15.49136      12.37909  
1 1 1 38 14 2  f 77.76048 3.283798  60.78713       3.607106  57.46592       7.214212  64.10833       7.214212  75.62494 4.769732  79.89602 4.514751  -4.271080      6.567596  
1 1 1 38 14 3  o 172.8268 1.984666  299.1897       4.850772  297.9651       9.701544  300.4143       9.701544  172.4725 2.812490  173.1811 2.800982  -0.7085724     3.969332  
1 1 1 38 14 4  o 144.6927 2.044954  210.7370       4.155082  239.4509       8.310163  182.0231       8.310163  154.6151 2.687371  134.7704 3.083082  19.84474       4.089909  
1 1 1 38 14 5  o 163.2075 2.157062  267.3547       4.969897  285.6714       9.939795  249.0380       9.939795  168.8190 2.943921  157.5960 3.153568  11.22293       4.314124  
1 1 1 38 14 6  o 62.39351 4.463525  41.32209       3.645226  58.92401       7.290452  23.72018       7.290452  76.49908 4.765059  48.28794 7.548937  28.21113       8.927051  
1 1 1 38 14 7  o 73.93475 4.108988  55.86488       4.221792  44.06674       8.443583  67.66302       8.443583  65.95599 6.400922  81.91350 5.153963  -15.95750      8.217977  
1 1 1 38 14 8  o 152.8582 2.346541  234.6430       5.069962  225.9183       10.13992  243.3677       10.13992  150.0043 3.379878  155.7120 3.255987  -5.707718      4.693083  
1 1 1 38 14 9  o 58.99084 6.287354  37.03836       4.941307  26.62683       9.882613  47.44989       9.882613  49.77202 10.27830  68.20966 7.244293  -18.43763      12.57471  
1 1 1 38 14 10 o 32.08316 8.387403  8.820019       5.103317  5.946723       10.20663  11.69331       10.20663  29.65207 11.69751  34.51425 12.02341  -4.862181      16.77481  
1 1 1 38 14 11 o 89.72900 4.115625  81.89132       5.217677  85.91298       10.43535  77.86966       10.43535  91.97000 5.673238  87.48799 5.963878  4.482010       8.231250  
1 1 1 38 14 12 o 152.3789 2.932767  234.3190       6.318392  228.2627       12.63678  240.3753       12.63678  150.3917 4.201292  154.3662 4.093120  -3.974533      5.865533  
1 1 1 38 14 13 o 60.09035 7.148719  42.91837       5.603642  71.54174       11.20728  14.29501       11.20728  83.38911 6.719873  36.79158 12.61983  46.59754       14.29744  
1 1 1 38 14 14 f 97.08558 4.598601  97.33470       6.313628  96.38647       12.62726  98.28294       12.62726  96.59723 6.536034  97.57393 6.470609  -0.9766998     9.197202  
1 1 1 38 14 15 o 70.89713 6.674597  54.37820       6.671002  59.00025       13.34200  49.75615       13.34200  74.15681 8.995805  67.63744 9.862885  6.519371       13.34919  
1 1 1 38 14 16 o 66.09572 7.998391  50.01823       7.304748  53.13930       14.60950  46.89715       14.60950  68.95936 10.59283  63.23208 11.98703  5.727276       15.99678  
1 1 1 38 15 0  o 24.01754 13.27622  8.272044       9.167863  8.272044       9.167863  8.272044       9.167863  24.01754 13.27622  24.01754 13.27622  0.000000       0.000000  
1 1 1 38 15 1  o 75.34695 3.199906  57.09901       3.402211  61.44946       6.804423  52.74857       6.804423  78.23389 4.348769  72.46000 4.695296  5.773895       6.399812  
1 1 1 38 15 2  o 135.1872 2.125477  183.5050       4.050251  166.4129       8.100503  200.5970       8.100503  128.8656 3.143005  141.5089 2.862190  -12.64325      4.250954  
1 1 1 38 15 3  o 165.6148 2.043683  274.8977       4.784062  285.2235       9.568124  264.5720       9.568124  168.7322 2.835300  162.4974 2.944086  6.234802       4.087367  
1 1 1 38 15 4  o 181.1977 1.945828  329.8954       4.965132  294.9917       9.930264  364.7990       9.930264  171.5663 2.894001  190.8291 2.601874  -19.26274      3.891656  
1 1 1 38 15 5  o 110.6414 2.808228  123.8853       4.345681  102.8669       8.691362  144.9037       8.691362  101.1430 4.296572  120.1399 3.617186  -18.99687      5.616455  
1 1 1 38 15 6  o 142.0515 2.324845  202.5936       4.664937  191.3148       9.329873  213.8724       9.329873  138.0815 3.378394  146.0214 3.194694  -7.939911      4.649690  
1 1 1 38 15 7  o 180.0061 2.028690  325.5020       5.150967  352.4767       10.30193  298.5274       10.30193  187.4988 2.747200  172.5134 2.985837  14.98543       4.057380  
1 1 1 38 15 8  o 206.0825 2.122131  426.3008       6.180207  407.3219       12.36041  445.2799       12.36041  201.4778 3.067439  210.6872 2.933357  -9.209427      4.244262  
1 1 1 38 15 9  o 137.8399 2.710883  191.0575       5.284387  192.2297       10.56877  189.8853       10.56877  138.2651 3.821923  137.4147 3.845576  0.8504028      5.421766  
1 1 1 38 15 10 o 26.48499 7.427546  -1.262726      4.955602  -14.40936      9.911204  11.88391       9.911204  18.53868 8.942237  34.43129 11.86213  -15.89261      14.85509  
1 1 1 38 15 11 o 87.22433 4.402841  78.44147       5.327272  95.68124       10.65454  61.20169       10.65454  97.10677 5.485995  77.34189 6.887952  19.76488       8.805682  
1 1 1 38 15 12 o 114.4563 3.574265  132.8673       5.779948  139.5002       11.55990  126.2344       11.55990  117.3539 4.925230  111.5588 5.181079  5.795120       7.148529  
1 1 1 38 15 13 o 47.13143 8.213472  25.20210       5.594112  33.35501       11.18822  17.04918       11.18822  55.02197 10.54310  39.24090 12.59713  15.78107       16.42694  
1 1 1 38 15 14 o 55.67430 7.760136  36.70481       6.304098  61.96408       12.60820  11.44553       12.60820  76.69728 8.219455  34.65132 13.16508  42.04596       15.52027  
1 1 1 38 15 15 f 51.64606 9.426307  32.25906       7.137973  22.71000       14.27595  41.80813       14.27595  43.45199 14.24440  59.84012 12.34982  -16.38813      18.85261  
1 1 1 38 15 16 o 36.57855 13.81943  14.86681       13.82804  14.86681       13.82804  ?              ?         36.57855 13.81943  ?        ?         ?              ?         
1 1 1 38 16 0  o 43.58938 13.12754  23.77736       9.958854  23.77736       9.958854  23.77736       9.958854  43.58938 13.12754  43.58938 13.12754  0.000000       0.000000  
1 1 1 38 16 1  o 181.2276 1.917897  329.5189       4.903187  356.3364       9.806375  302.7015       9.806375  188.6264 2.599417  173.8287 2.820700  14.79767       3.835794  
1 1 1 38 16 2  o 32.55075 6.323789  9.811139       3.597576  -0.2096601     7.195153  19.83194       7.195153  21.66542 9.284763  43.43607 8.588038  -21.77065      12.64758  
1 1 1 38 16 3  o 68.46902 3.902513  47.25452       3.778647  47.73579       7.557293  46.77326       7.557293  68.82047 5.490585  68.11758 5.547242  0.7028961      7.805025  
1 1 1 38 16 4  o 109.9791 2.567834  121.4408       3.993072  124.2045       7.986144  118.6771       7.986144  111.2356 3.589744  108.7226 3.672714  2.512932       5.135669  
1 1 1 38 16 5  o 140.7194 2.351792  198.7054       4.679232  203.4465       9.358463  193.9642       9.358463  142.4040 3.285885  139.0348 3.365512  3.369247       4.703585  
1 1 1 38 16 6  o 98.50488 3.263186  97.69684       4.545812  98.12092       9.091624  97.27275       9.091624  98.72015 4.604746  98.28962 4.624916  0.4305267      6.526372  
1 1 1 38 16 7  o 74.37711 4.102834  56.04119       4.307562  52.14819       8.615124  59.93420       8.615124  71.76003 6.002731  76.99418 5.594659  -5.234146      8.205668  
1 1 1 38 16 8  o 67.64838 4.723322  46.66843       4.498162  41.61753       8.996324  51.71933       8.996324  63.91518 7.037705  71.38158 6.301572  -7.466396      9.446645  
1 1 1 38 16 9  o 25.31715 7.147943  -0.5384454     4.479102  -10.97856      8.958203  9.901674       8.958203  18.47453 8.810437  32.15978 11.25827  -13.68525      14.29589  
1 1 1 38 16 10 o 126.8314 3.018580  162.6343       5.398747  176.7339       10.79749  148.5346       10.79749  132.3898 4.077917  121.2730 4.451730  11.11683       6.037160  
1 1 1 38 16 11 o 141.1871 2.987993  201.1307       5.965783  198.8054       11.93157  203.4560       11.93157  140.3636 4.250235  142.0106 4.200943  -1.646957      5.975986  
1 1 1 38 16 12 o 206.0120 2.674123  427.8352       7.790778  424.8761       15.58156  430.7943       15.58156  205.2938 3.794941  206.7301 3.768574  -1.436340      5.348245  
1 1 1 38 16 13 o 70.97895 6.022648  52.80576       6.042023  54.77846       12.08405  50.83304       12.08405  72.36859 8.348957  69.58931 8.682401  2.779282       12.04530  
1 1 1 38 16 14 o 75.01039 7.372571  63.51748       7.137973  40.10225       14.27595  86.93269       14.27595  58.95264 12.48936  91.06813 7.838058  -32.11549      14.74514  
1 1 1 38 16 15 o 31.51610 9.304715  5.984842       6.995024  1.658221       13.99005  10.31146       13.99005  29.07450 12.70738  33.95770 13.59535  -4.883204      18.60943  
1 1 1 38 16 16 o 32.12293 13.36427  8.748544       14.19018  8.748544       14.19018  ?              ?         32.12293 13.36427  ?        ?         ?              ?         
1 1 1 38 17 0  o 171.4529 4.057105  295.0680       13.89474  295.0680       13.89474  295.0680       13.89474  171.4529 4.057105  171.4529 4.057105  0.000000       0.000000  
1 1 1 38 17 1  o 150.8154 2.122481  227.9910       4.526752  230.3688       9.053504  225.6133       9.053504  151.6037 2.985911  150.0271 3.017290  1.576584       4.244962  
1 1 1 38 17 3  o 55.89526 5.004897  31.78733       3.940656  34.99417       7.881313  28.58048       7.881313  58.76389 6.705915  53.02665 7.431465  5.737240       10.00979  
1 1 1 38 17 4  o 72.11775 3.514701  52.41025       3.583282  50.75680       7.166563  54.06371       7.166563  70.97139 5.048910  73.26411 4.890910  -2.292717      7.029402  
1 1 1 38 17 5  o 117.1413 2.670264  137.8563       4.421922  142.2639       8.843843  133.4487       8.843843  119.0226 3.715196  115.2599 3.836478  3.762657       5.340528  
1 1 1 38 17 6  o 240.4930 2.072777  580.2296       7.047437  597.1119       14.09487  563.3470       14.09487  244.0029 2.888260  236.9830 2.973816  7.019913       4.145555  
1 1 1 38 17 7  o 140.3013 2.452043  197.7095       4.865067  199.6631       9.730133  195.7558       9.730133  140.9976 3.450462  139.6051 3.484877  1.392456       4.904086  
1 1 1 38 17 8  o 86.51270 3.910707  75.95413       4.760237  84.69315       9.520474  67.21511       9.520474  91.56342 5.198842  81.46199 5.843507  10.10143       7.821415  
1 1 1 38 17 9  o 17.87785 6.065843  -12.27941      4.445747  -10.40676      8.891494  -14.15206      8.891494  18.55903 8.821837  17.19666 8.327845  1.362366       12.13169  
1 1 1 38 17 10 o 43.24406 7.863530  20.55622       4.836477  20.76588       9.672954  20.34656       9.672954  43.46651 11.08920  43.02160 11.15214  0.4449120      15.72706  
1 1 1 38 17 11 o 72.25012 5.620015  54.10183       5.708472  47.54519       11.41694  60.65847       11.41694  67.71265 8.430437  76.78758 7.434110  -9.074928      11.24003  
1 1 1 38 17 12 o 60.26185 7.037794  39.11590       5.832363  34.67968       11.66473  43.55212       11.66473  56.14156 10.77298  64.38214 9.058976  -8.240585      14.07559  
1 1 1 38 17 13 o 89.88936 5.157358  83.86880       6.551878  87.24718       13.10376  80.49041       13.10376  91.76855 7.139568  88.01016 7.444457  3.758385       10.31472  
1 1 1 38 17 14 o 71.89371 6.714372  55.72670       6.823483  57.56122       13.64697  53.89217       13.64697  73.16957 9.325575  70.61785 9.662547  2.551720       13.42874  
1 1 1 38 17 15 o 127.3612 3.984006  168.5143       7.109383  142.9787       14.21877  194.0499       14.21877  117.3363 6.058979  137.3861 5.174747  -20.04978      7.968012  
1 1 1 38 17 16 o 71.20158 8.522253  64.10833       8.367344  59.17180       16.73469  69.04488       16.73469  67.20094 12.91190  75.20221 11.12646  -8.001266      17.04451  
1 1 1 38 18 0  o 12.47371 9.015759  -15.49579      10.30193  -15.49579      10.30193  -15.49579      10.30193  12.47371 9.015759  12.47371 9.015759  0.000000       0.000000  
1 1 1 38 18 1  o 99.77353 2.836871  100.3414       3.983541  111.6440       7.967083  89.03882       7.967083  105.4377 3.778102  94.10941 4.232883  11.32824       5.673742  
1 1 1 38 18 2  o 116.7176 2.390774  137.7038       3.902537  114.2266       7.805074  161.1810       7.805074  106.6604 3.658844  126.7749 3.078320  -20.11450      4.781548  
1 1 1 38 18 3  o 67.42265 4.082384  46.34441       3.835827  37.35761       7.671653  55.33120       7.671653  60.75813 6.313273  74.08717 5.177451  -13.32904      8.164767  
1 1 1 38 18 4  o 43.99468 5.866828  20.28461       3.549927  16.32490       7.099854  24.24433       7.099854  39.14149 9.212214  48.84788 7.267310  -9.706390      11.73366  
1 1 1 38 18 5  o 56.12828 5.748007  32.91663       4.383801  39.22550       8.767603  26.60777       8.767603  62.10124 7.059122  50.15532 9.073431  11.94592       11.49601  
1 1 1 38 18 6  o 29.51709 7.370227  6.280273       4.274207  -1.410441      8.548413  13.97099       8.548413  22.67983 9.922681  36.35435 10.90052  -13.67453      14.74045  
1 1 1 38 18 7  o 103.4273 3.148237  108.1655       4.579167  121.2312       9.158334  95.09991       9.158334  109.7436 4.172603  97.11097 4.715396  12.63268       6.296474  
1 1 1 38 18 8  o 151.9586 2.704317  232.3367       5.808537  241.0329       11.61707  223.6406       11.61707  154.8199 3.751802  149.0972 3.895805  5.722717       5.408633  
1 1 1 38 18 9  o 67.82017 5.252282  47.40701       5.012782  52.68186       10.02556  42.13215       10.02556  71.70902 6.990448  63.93131 7.840887  7.777710       10.50456  
1 1 1 38 18 10 o 126.6096 2.892548  161.8004       5.170027  172.8171       10.34005  150.7837       10.34005  130.9602 3.947784  122.2589 4.228752  8.701302       5.785096  
1 1 1 38 18 11 o 59.25832 7.159931  37.93418       5.770417  30.07669       11.54083  45.79167       11.54083  52.17169 11.37586  66.34496 8.697598  -14.17327      14.31986  
1 1 1 38 18 12 o 50.14816 7.900646  28.38512       6.108732  9.644363       12.21746  47.12587       12.21746  33.45715 12.88997  66.83916 9.139450  -33.38202      15.80129  
1 1 1 38 18 13 o 55.46272 8.590373  35.45638       6.766303  46.65890       13.53261  24.25386       13.53261  65.60130 10.31428  45.32415 13.74022  20.27715       17.18075  
1 1 1 38 18 14 o 41.20488 8.748178  15.43384       7.128443  38.02472       14.25689  -7.157033      14.25689  56.70443 12.86397  25.70533 11.85920  30.99910       17.49636  
1 1 1 38 18 15 f 84.18828 6.149118  76.84995       7.242803  64.85167       14.48561  88.84823       14.48561  77.06242 9.398620  91.31413 7.931744  -14.25172      12.29824  
1 1 1 38 19 0  o 17.80334 11.76774  -1.162660      10.42582  -1.162660      10.42582  -1.162660      10.42582  17.80334 11.76774  17.80334 11.76774  0.000000       0.000000  
1 1 1 38 19 1  o 120.0224 2.527136  144.6273       4.288502  141.0536       8.577003  148.2011       8.577003  118.5336 3.617963  121.5112 3.529306  -2.977577      5.054272  
1 1 1 38 19 2  o 166.9991 2.113610  279.7342       4.988957  268.9367       9.977913  290.5317       9.977913  163.7663 3.046389  170.2319 2.930683  -6.465607      4.227220  
1 1 1 38 19 3  o 155.0103 2.218444  241.7334       4.841242  268.1362       9.682484  215.3304       9.682484  163.5268 2.960518  146.4939 3.304741  17.03297       4.436889  
1 1 1 38 19 4  o 58.10008 4.435271  34.68921       3.564222  42.89455       7.128443  26.48388       7.128443  65.16146 5.469831  51.03870 6.983371  14.12276       8.870542  
1 1 1 38 19 5  f 182.8859 2.196256  335.8135       5.675117  352.4576       11.35023  319.1694       11.35023  187.4363 3.027757  178.3355 3.182270  9.100845       4.392512  
1 1 1 38 19 6  o 114.9400 2.994135  133.0293       4.865067  137.2797       9.730133  128.7789       9.730133  116.7889 4.165693  113.0910 4.301904  3.697906       5.988270  
1 1 1 38 19 7  o 143.8934 2.557101  208.0829       5.203382  205.8957       10.40676  210.2700       10.40676  143.1335 3.635336  144.6534 3.597137  -1.519974      5.114202  
1 1 1 38 19 8  o 61.54895 5.487219  39.13496       4.731647  33.14535       9.463295  45.12457       9.463295  56.68322 8.347527  66.41467 7.124400  -9.731453      10.97444  
1 1 1 38 19 9  o 83.73977 4.436017  71.61797       5.236737  78.06979       10.47347  65.16616       10.47347  87.59207 5.978552  79.88747 6.555142  7.704605       8.872033  
1 1 1 38 19 10 o 66.17035 6.373030  48.02169       5.398747  67.31042       10.79749  28.73296       10.79749  81.13097 6.654360  51.20973 10.87113  29.92124       12.74606  
1 1 1 38 19 11 o 56.46075 7.476483  35.53739       5.718002  21.83324       11.43600  49.24153       11.43600  44.09674 12.43251  68.82477 8.308059  -24.72803      14.95297  
1 1 1 38 19 12 o 48.57951 9.128941  27.11762       6.380337  26.47435       12.76067  27.76090       12.76067  47.98526 12.98210  49.17376 12.83805  -1.188499      18.25788  
1 1 1 38 19 13 o 34.27563 9.072206  7.228508       6.833013  21.86183       13.66603  -7.404812      13.66603  43.30595 13.92437  25.24530 11.63322  18.06065       18.14441  
1 1 1 38 19 14 o 92.68837 5.513470  91.24979       7.161798  104.6109       14.32360  77.88872       14.32360  99.89588 7.169262  85.48085 8.378249  14.41503       11.02694  
1 1 1 38 19 15 o 116.1839 4.550450  142.4164       7.371458  116.1803       14.74292  168.6525       14.74292  104.8932 7.027586  127.4747 5.782684  -22.58153      9.100901  
1 1 1 38 20 0  o 97.51176 6.243862  96.81532       12.07451  96.81532       12.07451  96.81532       12.07451  97.51176 6.243862  97.51176 6.243862  0.000000       0.000000  
1 1 1 38 20 1  o 110.4243 2.860021  122.5892       4.464807  118.9344       8.929614  126.2439       8.929614  108.7695 4.104835  112.0792 3.983618  -3.309731      5.720042  
1 1 1 38 20 2  o 48.36757 6.034280  24.83995       3.945422  17.68769       7.890843  31.99222       7.890843  40.62770 9.808286  56.10744 7.031905  -15.47974      12.06856  
1 1 1 38 20 3  o 37.21046 5.970073  12.45095       4.140787  30.06716       8.281574  -5.165262      8.281574  54.28688 7.627602  20.13404 9.186228  34.15284       11.94015  
1 1 1 38 20 4  o 150.5885 2.261076  227.6670       4.812652  236.3251       9.625304  219.0090       9.625304  153.4632 3.136030  147.7138 3.258093  5.749451       4.522151  
1 1 1 38 20 5  o 129.2737 2.682482  168.5572       4.879362  187.9698       9.758724  149.1446       9.758724  136.7820 3.567255  121.7653 4.007186  15.01668       5.364965  
1 1 1 38 20 6  o 78.54185 4.274318  62.71219       4.726882  69.38795       9.453763  56.03642       9.453763  82.79166 5.709369  74.29204 6.362569  8.499626       8.548636  
1 1 1 38 20 7  o 29.85695 7.982743  7.014082       4.660172  4.793592       9.320344  9.234573       9.320344  27.94660 11.12949  31.76730 11.44689  -3.820702      15.96549  
1 1 1 38 20 8  o 41.17105 7.910145  18.58827       4.812652  23.15791       9.625304  14.01864       9.625304  45.98063 10.66465  36.36148 11.68532  9.619148       15.82029  
1 1 1 38 20 9  o 115.8692 3.344431  135.8835       5.470222  126.4727       10.94044  145.2944       10.94044  111.8082 4.892504  119.9302 4.561171  -8.121986      6.688862  
1 1 1 38 20 10 o 98.27741 4.364780  98.53071       6.065848  100.0365       12.13170  97.02497       12.13170  99.04348 6.124429  97.51134 6.220659  1.532135       8.729561  
1 1 1 38 20 11 o 96.16151 4.700683  96.58182       6.223093  121.2979       12.44619  71.86575       12.44619  109.0128 5.708587  83.31018 7.469787  25.70265       9.401366  
1 1 1 38 20 12 o 37.86332 9.524099  14.57614       6.618587  20.83259       13.23717  8.319694       13.23717  42.65578 13.70303  33.07087 13.23106  9.584911       19.04820  
1 1 1 38 20 13 o 22.14500 7.470396  -14.54279      6.542348  -19.47933      13.08470  -9.606244      13.08470  20.61816 10.01976  23.67183 11.08295  -3.053671      14.94079  
1 1 1 38 20 14 o 40.14742 9.956252  19.23155       7.009318  18.48821       14.01864  19.97489       14.01864  39.56942 14.06038  40.72543 14.10013  -1.156006      19.91250  
1 1 1 38 20 15 o 24.34132 11.64617  -13.00846      15.98182  -13.00846      15.98182  ?              ?         24.34132 11.64617  ?        ?         ?              ?         
1 1 1 38 21 0  o 28.48483 14.71860  12.41759       10.66407  12.41759       10.66407  12.41759       10.66407  28.48483 14.71860  28.48483 14.71860  0.000000       0.000000  
1 1 1 38 21 1  f 23.70153 7.057517  0.6956903      4.083606  3.278321       8.167212  -1.886941      8.167212  25.55383 10.32233  21.84923 9.627235  3.704605       14.11503  
1 1 1 38 21 2  o 62.58773 4.492792  40.01649       3.931127  33.15488       7.862253  46.87809       7.862253  57.10614 6.883895  68.06932 5.775181  -10.96318      8.985584  
1 1 1 38 21 3  o 144.0806 2.443841  208.4736       4.979427  210.4129       9.958854  206.5342       9.958854  144.7536 3.439932  143.4076 3.472219  1.346024       4.887682  
1 1 1 38 21 4  o 186.6320 2.224514  349.6225       5.870482  356.4507       11.74096  342.7942       11.74096  188.4613 3.114953  184.8027 3.176621  3.658646       4.449028  
1 1 1 38 21 5  o 101.5611 3.437678  104.2106       4.927012  111.9776       9.854024  96.44363       9.854024  105.3848 4.675258  97.73727 5.041079  7.647560       6.875355  
1 1 1 38 21 6  o 66.22239 5.373252  44.85296       5.031842  45.44859       10.06368  44.25734       10.06368  66.67210 7.547147  65.77267 7.650353  0.8994293      10.74650  
1 1 1 38 21 7  o 37.70678 7.109927  12.34135       5.065197  30.29588       10.13039  -5.613173      10.13039  53.04908 9.915964  22.36449 10.19205  30.68459       14.21985  
1 1 1 38 21 8  o 126.0414 3.107352  160.4853       5.532167  169.4911       11.06433  151.4794       11.06433  129.6140 4.268187  122.4688 4.517205  7.145157       6.214705  
1 1 1 38 21 9  o 97.11893 4.285643  96.10056       5.884778  93.70853       11.76956  98.49259       11.76956  95.88743 6.137173  98.35042 5.983480  -2.462990      8.571285  
1 1 1 38 21 10 o 85.09505 4.814594  75.20602       5.675117  92.21232       11.35023  58.19973       11.35023  95.08759 5.968305  75.10252 7.556493  19.98506       9.629188  
1 1 1 38 21 11 o 120.0695 3.631418  146.8240       6.156383  156.2635       12.31277  137.3845       12.31277  124.0003 4.964811  116.1387 5.300890  7.861671       7.262836  
1 1 1 38 21 12 o 62.33312 7.919416  44.77673       6.594762  62.73601       13.18952  26.81743       13.18952  76.99610 8.565061  47.67015 13.32323  29.32595       15.83883  
1 1 1 38 21 13 o 148.5461 3.559904  225.8230       7.471523  236.8301       14.94305  214.8158       14.94305  152.2510 4.907372  144.8411 5.158428  7.409927       7.119809  
1 1 1 38 21 14 o 91.81245 5.919093  90.84000       7.614474  104.0962       15.22895  77.58376       15.22895  99.03165 7.688930  84.59325 9.001278  14.43840       11.83819  
1 1 1 38 22 0  o 27.70720 15.41682  11.29305       12.47478  11.29305       12.47478  11.29305       12.47478  27.70720 15.41682  27.70720 15.41682  0.000000       0.000000  
1 1 1 38 22 1  o 100.3284 3.134482  101.5994       4.431452  91.75488       8.862904  111.4439       8.862904  95.42223 4.644046  105.2345 4.211026  -9.812271      6.268963  
1 1 1 38 22 2  o 57.12146 5.417128  33.37884       4.364742  30.66755       8.729484  36.09013       8.729484  54.74820 7.972394  59.49473 7.336350  -4.746532      10.83426  
1 1 1 38 22 3  o 63.13261 4.639688  40.68835       4.112197  46.25864       8.224394  35.11806       8.224394  67.54419 6.088158  58.72104 7.002937  8.823154       9.279375  
1 1 1 38 22 4  o 23.20769 6.926800  -6.151618      4.636347  -19.87006      9.272694  7.566823       9.272694  16.12593 7.950383  30.28944 11.34520  -14.16350      13.85360  
1 1 1 38 22 5  o 146.4002 2.674339  215.5258       5.536932  216.5694       11.07386  214.4823       11.07386  146.7566 3.772869  146.0438 3.791283  0.7127991      5.348679  
1 1 1 38 22 6  o 54.40899 6.654700  31.22029       5.017547  31.78257       10.03509  30.65802       10.03509  55.34371 9.066156  53.47428 9.743968  1.869431       13.30940  
1 1 1 38 22 7  o 67.34201 5.655004  46.82568       5.379687  49.27964       10.75937  44.37170       10.75937  69.16404 7.778157  65.51999 8.210757  3.644051       11.31001  
1 1 1 38 22 8  o 28.06861 8.055233  4.240851       4.993722  3.440331       9.987444  5.041372       9.987444  27.48551 11.30257  28.65172 11.48038  -1.166210      16.11047  
1 1 1 38 22 9  o 84.27181 4.937976  72.91882       5.875248  68.19671       11.75050  77.64095       11.75050  81.47009 7.211538  87.07353 6.747456  -5.603439      9.875953  
1 1 1 38 22 10 o 80.29079 5.223827  66.69574       5.927662  69.39749       11.85532  63.99397       11.85532  81.97327 7.231214  78.60831 7.540757  3.364960       10.44765  
1 1 1 38 22 11 o 51.95720 8.012543  30.16723       5.875248  37.95800       11.75050  22.37645       11.75050  59.67599 9.845245  44.23841 12.64415  15.43758       16.02509  
1 1 1 38 22 12 o 80.13708 5.650079  67.64874       6.370807  60.17245       12.74161  75.12502       12.74161  75.47239 8.441242  84.80177 7.512588  -9.329384      11.30016  
1 1 1 38 22 13 o 66.28705 8.284151  50.33748       7.557293  45.01974       15.11459  55.65522       15.11459  61.74077 12.67590  70.83333 10.66912  -9.092556      16.56830  
1 1 1 38 22 14 o 40.45068 14.64301  19.92724       15.26707  19.92724       15.26707  ?              ?         40.45068 14.64301  ?        ?         ?              ?         
1 1 1 38 23 0  o 142.0798 4.733606  203.3893       13.41825  203.3893       13.41825  203.3893       13.41825  142.0798 4.733606  142.0798 4.733606  0.000000       0.000000  
1 1 1 38 23 1  o 48.09086 6.827008  24.91143       4.541047  33.39314       9.082094  16.42973       9.082094  57.10691 7.951836  39.07482 11.09957  18.03209       13.65402  
1 1 1 38 23 2  o 41.83807 7.422919  18.92659       4.388567  18.98377       8.777133  18.86941       8.777133  41.90176 10.48793  41.77438 10.50724  0.1273804      14.84584  
1 1 1 38 23 3  o 85.72990 4.174451  75.27274       4.974662  59.53394       9.949325  91.01154       9.949325  76.55060 6.498528  94.90919 5.241497  -18.35860      8.348902  
1 1 1 38 23 4  o 108.6473 3.194255  118.9964       4.907952  118.4675       9.815904  119.5253       9.815904  108.4039 4.527467  108.8907 4.507226  -0.4868164     6.388509  
1 1 1 38 23 5  o 168.8079 2.530283  286.7197       6.037257  275.8460       12.07451  297.5934       12.07451  165.5872 3.645969  172.0287 3.509449  -6.441483      5.060565  
1 1 1 38 23 6  o 92.69202 3.919526  87.30914       5.131907  82.49171       10.26381  92.12655       10.26381  90.09340 5.696208  95.29063 5.385531  -5.197235      7.839051  
1 1 1 38 23 7  o 149.9825 2.816096  227.5670       5.937192  256.0998       11.87438  199.0341       11.87438  159.4946 3.722504  140.4705 4.226648  19.02412       5.632192  
1 1 1 38 23 8  o 248.0746 2.401385  619.0977       8.424523  624.7299       16.84905  613.4655       16.84905  249.2098 3.380495  246.9394 3.411576  2.270386       4.802770  
1 1 1 38 23 9  o 60.24691 7.231784  39.83065       5.837128  27.69419       11.67426  51.96711       11.67426  49.75728 11.87857  70.73655 8.251925  -20.97927      14.46357  
1 1 1 38 23 10 o 59.80480 7.117379  38.82047       5.827598  33.16442       11.65520  44.47653       11.65520  54.62231 11.05514  64.98730 8.967287  -10.36499      14.23476  
1 1 1 38 23 11 o 28.87808 8.535466  2.587396       6.056317  -4.145552      12.11263  9.320344       12.11263  24.95239 11.30201  32.80376 12.79380  -7.851370      17.07093  
1 1 1 38 23 12 o 109.6363 4.592275  125.1337       7.080793  139.7670       14.16159  110.5004       14.16159  116.3099 6.087871  102.9627 6.877047  13.34715       9.184549  
1 1 1 38 23 13 o 72.28941 8.152266  60.22010       8.057619  51.59544       16.11524  68.84475       16.11524  65.81651 12.69562  78.76231 10.23030  -12.94579      16.30453  
1 1 1 38 23 14 o 25.25252 11.87585  -8.405463      15.56250  -8.405463      15.56250  ?              ?         25.25252 11.87585  ?        ?         ?              ?         
1 1 1 38 24 0  o 121.9909 5.535884  150.5931       13.44684  150.5931       13.44684  150.5931       13.44684  121.9909 5.535884  121.9909 5.535884  0.000000       0.000000  
1 1 1 38 24 1  o 101.8445 3.269331  105.6830       4.631582  127.4447       9.263164  83.92121       9.263164  112.5284 4.115924  91.16073 5.080677  21.36763       6.538662  
1 1 1 38 24 2  o 60.60289 5.669827  39.73059       4.393332  55.74099       8.786663  23.72018       8.786663  74.15257 5.924719  47.05320 9.668789  27.09937       11.33965  
1 1 1 38 24 3  o 83.95746 4.179140  71.57510       4.955602  67.42477       9.911204  75.72541       9.911204  81.48578 6.081555  86.42913 5.733717  -4.943352      8.358279  
1 1 1 38 24 4  o 87.18916 4.168099  77.82201       5.079492  64.38470       10.15898  91.25932       10.15898  79.48333 6.390638  94.89500 5.352750  -15.41167      8.336198  
1 1 1 38 24 5  o 112.7554 3.291957  128.8695       5.227207  142.3687       10.45441  115.3702       10.45441  118.7415 4.402173  106.7694 4.895793  11.97215       6.583913  
1 1 1 38 24 6  o 69.28994 6.163235  51.69551       5.584582  34.32708       11.16916  69.06394       11.16916  56.39133 10.28455  82.18855 6.794842  -25.79721      12.32647  
1 1 1 38 24 7  o 38.70468 8.347791  15.51485       5.384452  24.20621       10.76890  6.823483       10.76890  46.75103 11.56594  30.65834 12.04041  16.09269       16.69558  
1 1 1 38 24 8  o 47.59516 7.899764  24.69224       5.941957  41.40787       11.88391  7.976613       11.88391  62.85796 9.452991  32.33237 12.65962  30.52559       15.79953  
1 1 1 38 24 9  o 46.97764 6.551006  18.67881       6.323157  56.68446       12.64631  -19.32685      12.64631  73.56981 8.594772  20.38548 9.889015  53.18433       13.10201  
1 1 1 38 24 10 o 82.08451 6.046932  71.32255       6.914018  84.85516       13.82804  57.78994       13.82804  90.32761 7.654380  73.84142 9.363334  16.48619       12.09386  
1 1 1 38 24 11 o 26.89598 8.467291  -3.468921      6.675768  3.402211       13.35154  -10.34005      13.35154  29.99039 12.74332  23.80158 11.15293  6.188812       16.93458  
1 1 1 38 24 12 f 37.12090 9.861318  12.68920       7.538233  23.39616       15.07647  1.982241       15.07647  43.94274 14.63832  30.29907 13.21749  13.64367       19.72264  
1 1 1 38 24 13 o 125.6637 4.789914  165.5790       8.510294  161.5145       17.02059  169.6436       17.02059  124.0464 6.860570  127.2809 6.686230  -3.234467      9.579828  
1 1 1 38 25 0  o 47.90016 15.49641  30.04810       13.07517  30.04810       13.07517  30.04810       13.07517  47.90016 15.49641  47.90016 15.49641  0.000000       0.000000  
1 1 1 38 25 1  o 114.9439 3.011898  133.2199       4.893657  137.9373       9.787313  128.5026       9.787313  116.9959 4.182759  112.8919 4.334818  4.104042       6.023797  
1 1 1 38 25 2  o 72.67662 4.767929  54.01130       4.888892  58.20926       9.777783  49.81333       9.777783  75.56474 6.469806  69.78851 7.005296  5.776222       9.535857  
1 1 1 38 25 3  o 178.5309 2.470567  320.6703       6.237388  316.9489       12.47478  324.3918       12.47478  177.4886 3.514246  179.5731 3.473453  -2.084488      4.941133  
1 1 1 38 25 4  o 22.09929 6.971714  -11.08816      5.103317  4.564872       10.20663  -26.74119      10.20663  28.49028 11.52663  15.70831 7.845764  12.78197       13.94343  
1 1 1 38 25 5  o 93.14305 4.248891  91.21642       5.303447  123.9853       10.60689  58.44751       10.60689  110.7337 4.789371  75.55241 7.019561  35.18127       8.497783  
1 1 1 38 25 6  o 56.44843 7.178531  33.98876       5.613173  32.70698       11.22635  35.27055       11.22635  54.85973 10.61054  58.03713 9.671692  -3.177395      14.35706  
1 1 1 38 25 7  o 111.3819 3.914961  126.1439       6.161148  132.2574       12.32230  120.0304       12.32230  114.1263 5.398534  108.6376 5.671288  5.488762       7.829922  
1 1 1 38 25 8  o 72.42876 6.916078  58.85731       6.289802  32.64026       12.57960  85.07435       12.57960  53.92746 11.97836  90.93005 6.917189  -37.00258      13.83216  
1 1 1 38 25 9  o 75.04739 5.979494  59.26233       6.289802  50.57573       12.57960  67.94892       12.57960  69.25998 9.081439  80.83480 7.781057  -11.57482      11.95899  
1 1 1 38 25 10 o 73.39996 7.610493  64.68014       6.775833  26.22657       13.55167  103.1337       13.55167  47.05550 13.62097  99.74443 6.793194  -52.68893      15.22099  
1 1 1 38 25 11 f 111.8002 4.481742  130.2799       7.009318  151.5652       14.01864  108.9947       14.01864  121.3195 5.777568  102.2809 6.853011  19.03867       8.963485  
1 1 1 38 25 12 o 55.63625 10.13601  38.87289       8.029028  38.10096       16.05806  39.64482       16.05806  55.00055 14.42114  56.27195 14.24731  -1.271400      20.27203  
1 1 1 38 25 13 o 39.86069 14.96895  19.96536       16.16289  19.96536       16.16289  ?              ?         39.86069 14.96895  ?        ?         ?              ?         
1 1 1 38 26 0  o 19.96553 13.24035  -1.267491      13.34200  -1.267491      13.34200  -1.267491      13.34200  19.96553 13.24035  19.96553 13.24035  0.000000       0.000000  
1 1 1 38 26 1  o 95.65942 3.611724  93.07479       4.855536  81.25282       9.711073  104.8967       9.711073  89.48023 5.426380  101.8386 4.767874  -12.35839      7.223449  
1 1 1 38 26 2  o 78.84624 4.639903  63.53177       5.170027  66.25259       10.34005  60.81095       10.34005  80.57163 6.416684  77.12084 6.703800  3.450790       9.279805  
1 1 1 38 26 3  o 129.6112 3.066274  169.5816       5.617938  175.3425       11.23588  163.8208       11.23588  131.8335 4.261387  127.3888 4.410072  4.444740       6.132549  
1 1 1 38 26 4  o 53.82899 7.556060  32.39725       5.641763  16.66798       11.28353  48.12652       11.28353  39.41226 12.65052  68.24574 8.266834  -28.83348      15.11212  
1 1 1 38 26 5  o 50.05730 8.135049  27.79902       5.679882  33.37407       11.35976  22.22397       11.35976  55.41671 10.62854  44.69790 12.31870  10.71881       16.27010  
1 1 1 38 26 6  o 36.89539 8.996566  13.97098       5.708472  13.23717       11.41694  14.70480       11.41694  36.24386 12.70765  37.54692 12.73847  -1.303062      17.99313  
1 1 1 38 26 7  f 40.96125 8.901592  17.91641       6.056317  27.01756       12.11263  8.815253       12.11263  48.93198 12.36486  32.99053 12.80873  15.94145       17.80318  
1 1 1 38 26 8  o 49.21331 8.871356  27.79426       6.408928  37.17654       12.81786  18.41197       12.81786  57.69324 11.51629  40.73339 13.49737  16.95985       17.74271  
1 1 1 38 26 9  o 54.64468 8.536567  34.16507       6.442283  39.12067       12.88457  29.20946       12.88457  59.09245 11.30542  50.19691 12.79372  8.895535       17.07313  
1 1 1 38 26 10 o 85.43586 7.097551  83.02540       7.552527  46.27770       15.10505  119.7731       15.10505  63.52627 12.32881  107.3455 7.035723  -43.81918      14.19510  
1 1 1 38 26 11 o 61.50848 7.694279  46.80185       7.338103  3.173491       14.67621  90.43021       14.67621  30.56644 13.18357  92.45052 7.937331  -61.88408      15.38856  
1 1 1 38 26 12 o 31.11522 13.29500  4.907952       14.67621  4.907952       14.67621  ?              ?         31.11522 13.29500  ?        ?         ?              ?         
1 1 1 38 27 0  o 233.5087 4.519647  548.5756       21.08990  548.5756       21.08990  548.5756       21.08990  233.5087 4.519647  233.5087 4.519647  0.000000       0.000000  
1 1 1 38 27 1  o 42.95861 6.868293  19.38403       4.884127  2.077541       9.768253  36.69051       9.768253  26.30847 11.02534  59.60875 8.193641  -33.30028      13.73659  
1 1 1 38 27 2  o 48.10976 7.414908  25.56423       5.298682  40.75030       10.59736  10.37817       10.59736  62.75389 8.443591  33.46563 12.19136  29.28827       14.82982  
1 1 1 38 27 3  o 124.3284 3.130772  156.4493       5.484517  171.7593       10.96903  141.1394       10.96903  130.4854 4.203164  118.1713 4.641158  12.31413       6.261544  
1 1 1 38 27 4  o 51.47404 7.744941  29.12369       5.608407  38.87289       11.21681  19.37450       11.21681  61.03681 9.188565  41.91128 12.47023  19.12553       15.48988  
1 1 1 38 27 5  o 85.44952 5.294487  75.50623       6.351747  65.34724       12.70349  85.66521       12.70349  79.50508 7.989109  91.39396 6.949856  -11.88888      10.58897  
1 1 1 38 27 6  o 151.5446 3.153394  233.8949       6.685298  272.9393       13.37060  194.8504       13.37060  164.4268 4.065821  138.6625 4.821274  25.76430       6.306788  
1 1 1 38 27 7  o 146.1180 3.485664  217.0458       7.195153  205.6479       14.39031  228.4437       14.39031  142.2178 5.059251  150.0182 4.796186  -7.800476      6.971328  
1 1 1 38 27 8  o 81.33855 5.723211  69.25930       6.556643  76.15426       13.11329  62.36435       13.11329  85.57698 7.661690  77.10012 8.504064  8.476860       11.44642  
1 1 1 38 27 9  o 64.17149 7.757450  45.54865       6.894957  44.30499       13.78991  46.79232       13.78991  62.71564 11.41627  65.62734 10.50623  -2.911701      15.51490  
1 1 1 38 27 10 o 37.11987 9.874086  13.62314       7.290452  20.55622       14.58090  6.690063       14.58090  41.79263 14.38873  32.44711 13.52608  9.345520       19.74817  
1 1 1 38 27 11 o 40.70256 14.73004  19.80335       15.44814  19.80335       15.44814  ?              ?         40.70256 14.73004  ?        ?         ?              ?         
1 1 1 38 27 12 o 38.96302 14.91306  18.42150       16.27725  18.42150       16.27725  ?              ?         38.96302 14.91306  ?        ?         ?              ?         
1 1 1 38 28 0  o 45.66485 17.49534  29.80032       15.01929  29.80032       15.01929  29.80032       15.01929  45.66485 17.49534  45.66485 17.49534  0.000000       0.000000  
1 1 1 38 28 1  f 75.46416 4.944255  58.82394       5.208147  48.20275       10.41630  69.44514       10.41630  68.42692 7.611256  82.50140 6.312799  -14.07448      9.888511  
1 1 1 38 28 2  o 53.78685 7.221172  31.06781       5.365392  34.77498       10.73078  27.36064       10.73078  57.69656 9.299327  49.87713 11.05006  7.819431       14.44234  
1 1 1 38 28 3  o 66.91155 5.746597  46.65890       5.370157  38.48215       10.74031  54.83565       10.74031  60.80144 8.832286  73.02166 7.354198  -12.22022      11.49319  
1 1 1 38 28 4  f 32.11265 8.624804  6.732948       5.837128  -1.953651      11.67426  15.41955       11.67426  25.98785 11.47273  38.23745 12.88120  -12.24960      17.24961  
1 1 1 38 28 5  o 185.1266 2.848890  347.0351       7.423873  385.2790       14.84775  308.7912       14.84775  195.4558 3.798237  174.7975 4.247127  20.65825       5.697780  
1 1 1 38 28 6  o 134.2289 3.727722  183.4526       7.076028  185.1775       14.15206  181.7276       14.15206  134.8714 5.246500  133.5863 5.296970  1.285080       7.455444  
1 1 1 38 28 7  o 26.49475 8.417434  -4.760237      6.694828  -10.60689      13.38966  1.086420       13.38966  23.93282 11.20625  29.05668 12.56315  -5.123865      16.83487  
1 1 1 38 28 8  o 60.27155 8.125102  42.42758       6.675768  22.76718       13.35154  62.08797       13.35154  44.02535 13.70959  76.51775 8.724470  -32.49239      16.25020  
1 1 1 38 28 9  o 27.49876 8.710083  -6.651943      7.442933  6.308862       14.88587  -19.61275      14.88587  32.54073 13.62242  22.45678 10.85780  10.08395       17.42017  
1 1 1 38 28 10 o 112.1958 5.099287  132.2288       8.090974  132.0954       16.18195  132.3622       16.18195  112.1363 7.215301  112.2552 7.207657  -0.1189194     10.19857  
1 1 1 38 28 11 o 98.60655 6.116655  105.0111       8.515059  98.42589       17.03012  111.5964       17.03012  95.26741 8.938061  101.9457 8.352543  -6.678291      12.23331  
1 1 1 38 29 0  o 16.84207 11.98632  -16.89670      15.98182  -16.89670      15.98182  -16.89670      15.98182  16.84207 11.98632  16.84207 11.98632  0.000000       0.000000  
1 1 1 38 29 1  o 122.9800 3.367177  153.0709       5.856187  152.7660       11.71237  153.3759       11.71237  122.8561 4.766706  123.1040 4.757104  -0.2479706     6.734354  
1 1 1 38 29 2  o 31.42130 8.334474  4.531517       5.799007  17.23978       11.59801  -8.176744      11.59801  39.84582 12.82920  22.99678 10.64262  16.84904       16.66895  
1 1 1 38 29 3  o 103.5681 4.293362  109.6046       6.280273  103.3148       12.56055  115.8944       12.56055  100.5316 6.247065  106.6047 5.891179  -6.073105      8.586723  
1 1 1 38 29 4  o 53.20618 8.460423  32.04464       6.256447  24.97814       12.51289  39.11113       12.51289  46.78986 12.94358  59.62251 10.89857  -12.83265      16.92085  
1 1 1 38 29 5  o 75.42039 6.735415  62.30717       6.656708  42.11309       13.31342  82.50124       13.31342  61.63286 11.21524  89.20793 7.462013  -27.57507      13.47083  
1 1 1 38 29 6  o 32.44572 9.194339  6.427988       6.642413  13.11329       13.28483  -0.2573101     13.28483  36.62029 13.60668  28.27114 12.36938  8.349155       18.38868  
1 1 1 38 29 7  o 56.65395 9.577818  37.95324       7.581119  37.76740       15.16224  38.13908       15.16224  56.49644 13.56892  56.81145 13.52120  -0.3150063     19.15564  
1 1 1 38 29 8  o 64.02995 8.499711  46.53501       7.519173  41.62705       15.03835  51.44296       15.03835  59.64586 12.96862  68.41405 10.99069  -8.768188      16.99942  
1 1 1 38 29 9  o 76.17171 8.481910  68.67797       8.310163  39.75918       16.62033  97.59676       16.62033  56.78183 14.56532  95.56158 8.696136  -38.77974      16.96382  
1 1 1 38 29 10 o 49.90615 14.61573  31.58243       15.51485  31.58243       15.51485  ?              ?         49.90615 14.61573  ?        ?         ?              ?         
1 1 1 38 29 11 o 27.33465 12.63685  -4.707822      16.29631  -4.707822      16.29631  ?              ?         27.33465 12.63685  ?        ?         ?              ?         
1 1 1 38 30 0  o 159.9210 5.770005  259.3018       18.40244  259.3018       18.40244  259.3018       18.40244  159.9210 5.770005  159.9210 5.770005  0.000000       0.000000  
1 1 1 38 30 1  o 71.78261 5.603601  53.65392       5.660822  47.77391       11.32164  59.53394       11.32164  67.68690 8.363247  75.87832 7.460395  -8.191422      11.20720  
1 1 1 38 30 2  o 42.44485 8.800192  20.00824       5.894307  12.34135       11.78861  27.67513       11.78861  35.40132 12.86207  49.48838 12.01418  -14.08707      17.60038  
1 1 1 38 30 3  o 60.69611 7.383528  40.03078       6.175443  43.85708       12.35089  36.20448       12.35089  64.31436 9.601967  57.07786 11.21910  7.236504       14.76706  
1 1 1 38 30 4  o 35.80751 9.262208  12.21746       6.261212  17.09683       12.52242  7.338103       12.52242  39.55084 13.34093  32.06418 12.85198  7.486660       18.52442  
1 1 1 38 30 5  o 82.78255 6.079266  72.48997       7.028378  85.01717       14.05676  59.96278       14.05676  90.34888 7.779154  75.21623 9.344231  15.13264       12.15853  
1 1 1 38 30 6  o 41.32006 9.614614  19.53651       6.570938  16.21054       13.14188  22.86248       13.14188  38.51268 13.62076  44.12744 13.57344  -5.614758      19.22923  
1 1 1 38 30 7  o 43.74867 9.784396  21.52352       7.366693  9.549064       14.73339  33.49796       14.73339  34.51714 13.89667  52.98021 13.77752  -18.46307      19.56879  
1 1 1 38 30 8  o 25.94667 8.526041  -10.28287      7.681183  -18.27855      15.36237  -2.287201      15.36237  23.24570 11.19307  28.64764 12.86424  -5.401939      17.05208  
1 1 1 38 30 9  o 94.24427 5.801715  95.25239       7.705008  86.58009       15.41002  103.9247       15.41002  89.64330 8.595186  98.84525 7.795022  -9.201950      11.60343  
1 1 1 38 30 10 o 68.03722 8.449319  54.30673       7.938493  50.50902       15.87699  58.10443       15.87699  64.71162 12.72076  71.36281 11.12413  -6.651184      16.89864  
1 1 1 38 31 0  o 20.07531 13.82439  -8.081444      17.29696  -8.081444      17.29696  -8.081444      17.29696  20.07531 13.82439  20.07531 13.82439  0.000000       0.000000  
1 1 1 38 31 1  o 127.5308 3.576513  165.4409       6.447048  159.3417       12.89410  171.5401       12.89410  125.1395 5.151887  129.9221 4.962242  -4.782524      7.153027  
1 1 1 38 31 2  o 73.66364 6.417765  58.10920       6.489933  73.36197       12.97987  42.85643       12.97987  84.01662 7.724582  63.31065 10.25093  20.70597       12.83553  
1 1 1 38 31 3  o 83.92733 5.276856  73.18090       6.246917  79.04185       12.49383  67.31995       12.49383  87.41901 7.145948  80.43565 7.766355  6.983368       10.55371  
1 1 1 38 31 4  o 113.3901 4.403513  132.9293       7.004553  151.7939       14.00911  114.0646       14.00911  121.7086 5.755183  105.0717 6.666452  16.63693       8.807026  
1 1 1 38 31 5  o 30.22485 9.116816  1.572451       7.133208  -6.080142      14.26642  9.225043       14.26642  26.35765 12.03711  34.09205 13.69574  -7.734406      18.23363  
1 1 1 38 31 6  o 42.93288 9.847969  21.55210       6.885427  24.56835       13.77085  18.53586       13.77085  45.44668 13.87728  40.41909 13.97680  5.027592       19.69594  
1 1 1 38 31 7  o 51.51634 9.730453  32.30672       7.562057  43.65695       15.12411  20.95648       15.12411  60.89283 12.82156  42.13986 14.64017  18.75297       19.46091  
1 1 1 38 31 8  o 25.86713 12.06267  -8.586533      15.26707  -8.586533      15.26707  ?              ?         25.86713 12.06267  ?        ?         ?              ?         
1 1 1 38 31 9  o 43.26569 15.62065  23.44381       17.36367  23.44381       17.36367  ?              ?         43.26569 15.62065  ?        ?         ?              ?         
1 1 1 38 32 0  o 87.60376 11.05589  81.08127       19.55557  81.08127       19.55557  81.08127       19.55557  87.60376 11.05589  87.60376 11.05589  0.000000       0.000000  
1 1 1 38 32 1  o 38.19057 9.322135  15.78169       6.161148  18.73599       12.32230  12.82739       12.32230  40.66562 13.23389  35.71552 13.13290  4.950104       18.64427  
1 1 1 38 32 2  o 42.96617 7.144715  14.39031       6.413693  -16.10571      12.82739  44.88632       12.82739  21.36347 10.27236  64.56888 9.933103  -43.20541      14.28943  
1 1 1 38 32 3  o 83.05150 6.162434  74.78194       6.928313  98.27339       13.85663  51.29048       13.85663  97.19420 7.128319  68.90879 10.05432  28.28541       12.32487  
1 1 1 38 32 4  o 38.56012 8.848231  13.36583       6.637648  -3.192551      13.27530  29.92421       13.27530  26.60287 11.95197  50.51736 13.05048  -23.91450      17.69646  
1 1 1 38 32 5  o 55.33567 9.075532  36.09966       6.980727  38.94913       13.96145  33.25018       13.96145  57.81702 12.43070  52.85432 13.22644  4.962708       18.15106  
1 1 1 38 32 6  o 128.6432 4.115507  171.5877       7.409578  143.9984       14.81916  199.1771       14.81916  117.9200 6.283564  139.3664 5.316617  -21.44642      8.231014  
1 1 1 38 32 7  o 87.54393 6.504387  83.86404       7.938493  98.81661       15.87699  68.91145       15.87699  96.08398 8.262037  79.00389 10.04823  17.08009       13.00877  
1 1 1 38 32 8  o 25.30773 12.01509  -13.59931      16.44879  -13.59931      16.44879  ?              ?         25.30773 12.01509  ?        ?         ?              ?         
1 1 1 38 33 0  o 108.7708 8.427583  123.6232       18.11654  123.6232       18.11654  123.6232       18.11654  108.7708 8.427583  108.7708 8.427583  0.000000       0.000000  
1 1 1 38 33 1  o 36.18405 8.919026  8.886729       6.861602  27.00803       13.72320  -9.234573      13.72320  47.75765 13.66893  24.61045 11.46109  23.14720       17.83805  
1 1 1 38 33 2  o 37.30135 9.479771  14.55708       6.480402  18.82176       12.96080  10.29240       12.96080  40.61758 13.57242  33.98512 13.23834  6.632462       18.95954  
1 1 1 38 33 3  o 32.69778 9.198575  7.614471       6.628118  14.61903       13.25624  0.6099203      13.25624  37.12616 13.62443  28.26940 12.36244  8.856760       18.39715  
1 1 1 38 33 4  o 102.2231 5.034642  109.9953       7.190388  128.7980       14.38078  91.19261       14.38078  111.4200 6.453410  93.02618 7.729424  18.39379       10.06928  
1 1 1 38 33 5  o 40.49694 9.802981  18.19754       7.180858  8.767603       14.36172  27.62748       14.36172  33.44563 13.61983  47.54825 14.10298  -14.10262      19.60596  
1 1 1 38 33 6  o 76.87225 7.345934  66.90540       7.576353  51.21424       15.15271  82.59654       15.15271  66.22316 11.87075  87.52135 8.656577  -21.29819      14.69187  
1 1 1 38 33 7  o 33.94738 14.30210  8.138623       16.58221  8.138623       16.58221  ?              ?         33.94738 14.30210  ?        ?         ?              ?         
1 1 1 38 34 0  o 21.32953 14.40909  -3.487981      17.31602  -3.487981      17.31602  -3.487981      17.31602  21.32953 14.40909  21.32953 14.40909  0.000000       0.000000  
1 1 1 38 34 1  o 101.2072 4.917818  106.8980       7.037908  108.7850       14.07582  105.0111       14.07582  102.1394 6.890492  100.2750 7.018609  1.864441       9.835636  
1 1 1 38 34 2  o 86.54311 5.688549  79.66131       6.894957  67.61537       13.78991  91.70722       13.78991  79.58361 8.663791  93.50260 7.374081  -13.91899      11.37710  
1 1 1 38 34 3  o 60.67146 8.582834  43.16616       7.195153  56.67493       14.39031  29.65737       14.39031  72.05907 9.985077  49.28386 13.96275  22.77520       17.16567  
1 1 1 38 34 4  o 32.31250 13.61937  6.470873       15.04788  6.470873       15.04788  ?              ?         32.31250 13.61937  ?        ?         ?              ?         
1 1 1 38 34 5  o 32.10765 13.72616  5.584582       15.65780  5.584582       15.65780  ?              ?         32.10765 13.72616  ?        ?         ?              ?         
1 1 1 38 34 6  o 53.53256 15.11257  37.04313       16.88717  37.04313       16.88717  ?              ?         53.53256 15.11257  ?        ?         ?              ?         
1 1 1 38 34 7  o 60.90865 9.393922  49.00328       8.438819  72.02776       16.87764  25.97879       16.87764  78.61976 10.73371  43.19754 15.41981  35.42222       18.78784  
1 1 1 38 35 1  o 34.65284 14.05771  10.52112       15.23848  10.52112       15.23848  ?              ?         34.65284 14.05771  ?        ?         ?              ?         
1 1 1 38 35 2  f 35.97730 13.98466  13.33247       14.44749  13.33247       14.44749  ?              ?         35.97730 13.98466  ?        ?         ?              ?         
1 1 1 38 35 3  o 58.66177 9.525054  42.13214       7.752658  38.87289       15.50532  45.39141       15.50532  55.97401 13.89704  61.34953 13.02993  -5.375511      19.05011  
1 1 1 38 35 4  o 31.54329 13.71861  3.745291       16.14383  3.745291       16.14383  ?              ?         31.54329 13.71861  ?        ?         ?              ?         
1 1 1 38 35 5  o 81.37749 7.230144  75.02496       8.081444  93.47028       16.16289  56.57963       16.16289  92.71068 8.716843  70.04431 11.53762  22.66637       14.46029  
1 1 1 38 36 1  o 60.92680 9.479838  45.33899       7.967083  40.14038       15.93417  50.53761       15.93417  56.73008 14.08984  65.12353 12.68644  -8.393448      18.95968  
1 1 1 38 36 2  o 50.36409 14.89016  32.61168       16.02947  32.61168       16.02947  ?              ?         50.36409 14.89016  ?        ?         ?              ?         
1 1 1 38 36 3  f 33.78093 13.87064  10.01603       15.01929  10.01603       15.01929  ?              ?         33.78093 13.87064  ?        ?         ?              ?         
1 1 1 39 0  1  o 16.48818 10.51592  1.115010       7.442933  1.115010       7.442933  1.115010       7.442933  16.48818 10.51592  16.48818 10.51592  0.000000       0.000000  
1 1 1 39 0  2  o 86.80604 4.610988  76.11614       7.957553  76.11614       7.957553  76.11614       7.957553  86.80604 4.610988  86.80604 4.610988  0.000000       0.000000  
1 1 1 39 0  3  o 157.0872 3.516537  247.3893       11.03574  247.3893       11.03574  247.3893       11.03574  157.0872 3.516537  157.0872 3.516537  0.000000       0.000000  
1 1 1 39 0  4  o 19.96059 11.95155  4.479102       8.319694  4.479102       8.319694  4.479102       8.319694  19.96059 11.95155  19.96059 11.95155  0.000000       0.000000  
1 1 1 39 0  5  o 53.25315 13.31659  33.54561       12.25558  33.54561       12.25558  33.54561       12.25558  53.25315 13.31659  53.25315 13.31659  0.000000       0.000000  
1 1 1 39 0  6  o 272.6423 4.692217  745.7228       25.56900  745.7228       25.56900  745.7228       25.56900  272.6423 4.692217  272.6423 4.692217  0.000000       0.000000  
1 1 1 39 0  7  o 18.85431 12.31181  -0.1810701     10.98809  -0.1810701     10.98809  -0.1810701     10.98809  18.85431 12.31181  18.85431 12.31181  0.000000       0.000000  
1 1 1 39 0  8  o 153.7201 5.402029  238.2120       16.56315  238.2120       16.56315  238.2120       16.56315  153.7201 5.402029  153.7201 5.402029  0.000000       0.000000  
1 1 1 39 0  9  o 28.86146 17.30397  10.25428       17.47803  10.25428       17.47803  10.25428       17.47803  28.86146 17.30397  28.86146 17.30397  0.000000       0.000000  
1 1 1 39 0  10 o 101.9786 8.574175  107.5556       17.24931  107.5556       17.24931  107.5556       17.24931  101.9786 8.574175  101.9786 8.574175  0.000000       0.000000  
1 1 1 39 0  11 o 95.09251 8.962105  94.20409       16.76328  94.20409       16.76328  94.20409       16.76328  95.09251 8.962105  95.09251 8.962105  0.000000       0.000000  
1 1 1 39 0  12 o 86.19085 14.28165  82.44407       22.85295  82.44407       22.85295  82.44407       22.85295  86.19085 14.28165  86.19085 14.28165  0.000000       0.000000  
1 1 1 39 0  13 o 185.1026 7.838050  349.8751       28.90450  349.8751       28.90450  349.8751       28.90450  185.1026 7.838050  185.1026 7.838050  0.000000       0.000000  
1 1 1 39 0  14 o 40.31989 22.75344  27.97056       27.68466  27.97056       27.68466  27.97056       27.68466  40.31989 22.75344  40.31989 22.75344  0.000000       0.000000  
1 1 1 39 0  15 o 57.67416 24.51690  55.21684       28.54236  55.21684       28.54236  55.21684       28.54236  57.67416 24.51690  57.67416 24.51690  0.000000       0.000000  
1 1 1 39 1  0  o 216.8082 3.617626  470.9347       15.67686  470.9347       15.67686  470.9347       15.67686  216.8082 3.617626  216.8082 3.617626  0.000000       0.000000  
1 1 1 39 1  1  o 102.4306 2.013653  105.1874       2.911416  97.72066       5.822832  112.6542       5.822832  98.78582 2.947201  106.0754 2.744667  -7.289574      4.027305  
1 1 1 39 1  2  o 42.36573 4.951754  20.88024       2.773231  4.440981       5.546463  37.31949       5.546463  23.74313 8.797891  60.98832 4.547152  -37.24519      9.903508  
1 1 1 39 1  3  o 88.85028 2.200013  79.17527       2.758936  73.44774       5.517872  84.90281       5.517872  85.62714 3.222035  92.07343 2.996452  -6.446281      4.400026  
1 1 1 39 1  4  o 77.80133 3.387529  61.82590       3.630931  77.79343       7.261863  45.85838       7.261863  88.06306 4.123104  67.53960 5.376004  20.52346       6.775058  
1 1 1 39 1  5  o 259.6288 2.223799  675.5963       8.162449  655.6262       16.32490  695.5664       16.32490  255.7829 3.191163  263.4747 3.098001  -7.691818      4.447598  
1 1 1 39 1  6  o 127.6040 2.669594  163.3204       4.817417  162.0196       9.634833  164.6213       9.634833  127.0943 3.790427  128.1138 3.760265  -1.019447      5.339188  
1 1 1 39 1  7  o 154.9398 2.495437  241.0329       5.460692  255.3183       10.92138  226.7474       10.92138  159.5498 3.422564  150.3297 3.632476  9.220016       4.990874  
1 1 1 39 1  8  o 152.7879 2.601548  234.8812       5.603642  213.5102       11.20728  256.2523       11.20728  145.7942 3.843529  159.7816 3.507064  -13.98740      5.203097  
1 1 1 39 1  9  o 37.18282 7.924465  11.72190       5.489282  -2.944771      10.97856  26.38858       10.97856  24.98238 11.06472  49.38326 11.34727  -24.40088      15.84893  
1 1 1 39 1  10 o 130.3515 3.554179  172.2215       6.508993  149.7259       13.01799  194.7170       13.01799  121.7227 5.347393  138.9804 4.683391  -17.25762      7.108358  
1 1 1 39 1  11 o 63.44638 6.079433  42.60865       5.160498  53.71110       10.32100  31.50620       10.32100  72.56396 7.111653  54.32879 9.862172  18.23517       12.15887  
1 1 1 39 1  12 o 113.6245 4.102289  131.2901       6.589998  127.6735       13.18000  134.9067       13.18000  112.0330 5.882195  115.2160 5.719692  -3.182976      8.204577  
1 1 1 39 1  13 o 90.01809 5.757236  83.88309       7.319043  78.94656       14.63809  88.81963       14.63809  87.27612 8.386078  92.76006 7.890296  -5.483948      11.51447  
1 1 1 39 1  14 o 40.85063 10.53651  15.94370       8.343518  26.15033       16.68704  5.737062       16.68704  47.44939 15.39963  34.25187 14.38483  13.19752       21.07302  
1 1 1 39 1  15 o 27.41515 9.053346  -15.64827      9.020149  -30.20058      18.04030  -1.095950      18.04030  23.21020 11.38951  31.62009 14.07591  -8.409891      18.10669  
1 1 1 39 1  16 o 128.1853 5.922743  175.1091       10.68790  193.2399       21.37580  156.9782       21.37580  135.2575 7.901893  121.1132 8.824717  14.14423       11.84549  
1 1 1 39 2  0  o 69.10905 6.095565  49.00328       8.300633  49.00328       8.300633  49.00328       8.300633  69.10905 6.095565  69.10905 6.095565  0.000000       0.000000  
1 1 1 39 2  1  o 195.4379 1.713945  383.1252       4.722116  418.3290       9.444233  347.9214       9.444233  204.4443 2.309733  186.4315 2.532897  18.01282       3.427891  
1 1 1 39 2  2  o 185.0754 1.725654  343.5519       4.502927  374.4148       9.005854  312.6890       9.005854  193.4133 2.328137  176.7375 2.547805  16.67586       3.451309  
1 1 1 39 2  3  o 70.82631 2.976394  53.76828       2.682696  27.33205       5.365392  80.20451       5.365392  52.16359 5.142852  89.48903 2.997793  -37.32544      5.952788  
1 1 1 39 2  4  o 114.1775 2.675869  130.9756       4.307562  142.7499       8.615124  119.2013       8.615124  119.3337 3.609679  109.0214 3.951116  10.31229       5.351738  
1 1 1 39 2  5  o 99.57204 3.103121  99.54565       4.369507  98.48306       8.739014  100.6083       8.739014  99.03847 4.411929  100.1056 4.364897  -1.067154      6.206242  
1 1 1 39 2  6  o 71.08096 4.750379  53.15836       4.469572  74.29591       8.939144  32.02081       8.939144  85.94961 5.200224  56.21232 7.951231  29.73729       9.500758  
1 1 1 39 2  7  o 44.04593 6.522249  20.58957       3.935891  17.93547       7.871783  23.24368       7.871783  41.05133 9.724806  47.04053 8.694081  -5.989193      13.04450  
1 1 1 39 2  8  o 102.1164 4.113118  105.4828       5.927662  97.73972       11.85532  113.2260       11.85532  98.32507 6.028638  105.9077 5.597007  -7.582649      8.226236  
1 1 1 39 2  9  o 100.8330 3.752628  102.8287       5.336802  111.4534       10.67360  94.20409       10.67360  105.1097 5.077363  96.55632 5.527139  8.553413       7.505256  
1 1 1 39 2  10 o 115.9893 3.234669  136.4887       5.251032  114.0932       10.50206  158.8842       10.50206  106.3352 4.938188  125.6435 4.179312  -19.30825      6.469338  
1 1 1 39 2  11 o 47.98316 8.811853  25.36887       6.151618  32.01128       12.30324  18.72646       12.30324  54.16568 11.68967  41.80064 13.18888  12.36504       17.62371  
1 1 1 39 2  12 o 30.86645 9.055272  2.811351       6.723418  9.644363       13.44684  -4.021661      13.44684  34.75011 13.49495  26.98279 12.07800  7.767319       18.11054  
1 1 1 39 2  13 o 85.28487 5.620728  75.76353       6.680532  90.13477       13.36106  61.39228       13.36106  93.71031 7.128920  76.85944 8.691883  16.85088       11.24146  
1 1 1 39 2  14 o 35.98941 9.248769  6.818717       7.361928  -12.03640      14.72386  25.67383       14.72386  24.90769 11.67855  47.07112 14.34470  -22.16343      18.49754  
1 1 1 39 2  15 o 46.30886 10.30736  24.09185       8.410229  8.176744       16.82046  40.00695       16.82046  35.06246 14.56640  57.55526 14.58721  -22.49280      20.61473  
1 1 1 39 2  16 o 59.59118 15.92306  45.19128       19.34591  45.19128       19.34591  ?              ?         59.59118 15.92306  ?        ?         ?              ?         
1 1 1 39 3  0  o 76.61448 5.358083  59.68641       8.129093  59.68641       8.129093  59.68641       8.129093  76.61448 5.358083  76.61448 5.358083  0.000000       0.000000  
1 1 1 39 3  1  o 197.7430 1.774389  391.5069       4.960367  403.4146       9.920734  379.5991       9.920734  200.7539 2.470870  194.7320 2.547278  6.021820       3.548778  
1 1 1 39 3  2  o 233.1058 1.766349  543.9440       5.822832  548.2706       11.64566  539.6174       11.64566  234.0338 2.488030  232.1778 2.507920  1.856079       3.532698  
1 1 1 39 3  3  o 101.9805 2.002343  104.1486       2.887591  105.6687       5.775182  102.6286       5.775182  102.7257 2.810971  101.2352 2.852358  1.490517       4.004685  
1 1 1 39 3  4  o 65.11178 3.550693  42.60389       3.268791  43.65695       6.537583  41.55082       6.537583  65.92044 4.958692  64.30312 5.083410  1.617325       7.101386  
1 1 1 39 3  5  o 185.0041 2.225971  343.0182       5.822832  335.3608       11.64566  350.6755       11.64566  182.9346 3.183013  187.0736 3.112588  -4.139008      4.451941  
1 1 1 39 3  6  o 87.72543 3.676188  78.68447       4.445747  58.62859       8.891494  98.74036       8.891494  76.29436 5.827097  99.15649 4.483566  -22.86212      7.352376  
1 1 1 39 3  7  o 140.9110 2.555816  199.5964       5.079492  216.4169       10.15898  182.7759       10.15898  146.8795 3.458273  134.9425 3.764189  11.93694       5.111631  
1 1 1 39 3  8  o 133.4607 3.332397  179.3928       6.285037  171.5305       12.57007  187.2551       12.57007  130.5152 4.815560  136.4063 4.607587  -5.891083      6.664794  
1 1 1 39 3  9  o 102.8193 3.480151  106.6026       5.060432  106.5931       10.12086  106.6122       10.12086  102.8146 4.921898  102.8239 4.921455  -0.9269714E-02 6.960302  
1 1 1 39 3  10 o 26.62132 7.499961  -1.100716      4.993722  -13.51355      9.987444  11.31211       9.987444  19.05377 9.137960  34.18887 11.89518  -15.13510      14.99992  
1 1 1 39 3  11 o 37.20350 8.349056  14.06152       5.160498  20.16549       10.32100  7.957553       10.32100  42.99118 11.69519  31.41582 11.91845  11.57536       16.69811  
1 1 1 39 3  12 o 72.56127 6.982729  55.64093       7.056968  45.02927       14.11394  66.25259       14.11394  65.24906 10.81543  79.87348 8.835183  -14.62442      13.96546  
1 1 1 39 3  13 o 40.15282 9.390579  15.98658       6.709123  5.708472       13.41825  26.26469       13.41825  32.09224 13.13267  48.21341 13.42627  -16.12116      18.78116  
1 1 1 39 3  14 o 44.77827 10.95650  19.93200       9.377523  3.449862       18.75505  36.41415       18.75505  34.57903 14.90869  54.97752 16.05960  -20.39849      21.91300  
1 1 1 39 3  15 o 55.41319 10.36998  37.30043       8.986794  18.79317       17.97359  55.80770       17.97359  41.72001 15.75725  69.10638 13.48535  -27.38638      20.73996  
1 1 1 39 3  16 o 55.19052 16.71450  39.69247       20.03207  39.69247       20.03207  ?              ?         55.19052 16.71450  ?        ?         ?              ?         
1 1 1 39 4  0  o 236.2258 3.665097  559.0300       17.30649  559.0300       17.30649  559.0300       17.30649  236.2258 3.665097  236.2258 3.665097  0.000000       0.000000  
1 1 1 39 4  1  o 90.56982 2.351698  82.70613       2.982891  95.93855       5.965783  69.47373       5.965783  97.87491 3.047657  83.26473 3.582418  14.61018       4.703396  
1 1 1 39 4  2  o 200.7132 1.752653  403.2812       4.974662  408.1129       9.949325  398.4494       9.949325  201.9169 2.463718  199.5096 2.493445  2.407272       3.505307  
1 1 1 39 4  3  o 90.90715 2.283132  82.79191       2.935241  82.69185       5.870482  82.89198       5.870482  90.85212 3.230790  90.96219 3.226881  -0.1100693     4.566263  
1 1 1 39 4  4  o 215.1898 1.981387  463.8777       6.027727  478.0441       12.05545  449.7114       12.05545  218.4814 2.758920  211.8982 2.844634  6.583176       3.962775  
1 1 1 39 4  5  o 148.7160 2.255057  221.6870       4.741177  215.1112       9.482354  228.2627       9.482354  146.5051 3.236185  150.9268 3.141376  -4.421646      4.510115  
1 1 1 39 4  6  f 166.5624 2.302271  278.5668       5.408277  254.8609       10.81655  302.2727       10.81655  159.4462 3.391913  173.6786 3.113956  -14.23244      4.604541  
1 1 1 39 4  7  o 131.2732 2.697133  173.2078       4.998487  161.4764       9.996975  184.9393       9.996975  126.8049 3.941872  135.7416 3.682356  -8.936646      5.394265  
1 1 1 39 4  8  o 62.80947 5.476788  40.79795       4.741177  51.11895       9.482354  30.47695       9.482354  71.02559 6.675308  54.59336 8.684530  16.43223       10.95358  
1 1 1 39 4  9  o 94.92746 4.169699  91.29267       5.589347  96.98685       11.17869  85.59850       11.17869  97.92668 5.707686  91.92823 6.080121  5.998451       8.339397  
1 1 1 39 4  10 o 78.76311 4.623868  64.36088       4.979427  82.93962       9.958854  45.78214       9.958854  90.55717 5.498655  66.96905 7.435416  23.58813       9.247736  
1 1 1 39 4  11 o 43.15189 8.978784  20.31797       5.856187  18.77411       11.71237  21.86183       11.71237  41.68355 12.81240  44.62024 12.58240  -2.936695      17.95757  
1 1 1 39 4  12 f 72.15912 8.435034  61.24934       7.795544  24.53023       15.59109  97.96844       15.59109  46.85339 14.85349  97.46484 7.998313  -50.61146      16.87007  
1 1 1 39 4  13 o 110.9152 4.433315  125.5769       6.952137  128.8647       13.90427  122.2890       13.90427  112.3974 6.185321  109.4331 6.352868  2.964294       8.866630  
1 1 1 39 4  14 f 110.5721 5.425801  126.9778       8.481703  130.5801       16.96341  123.3754       16.96341  112.2011 7.559379  108.9432 7.785439  3.257904       10.85160  
1 1 1 39 4  15 o 82.92685 9.345292  79.24674       10.57354  66.96734       21.14708  91.52616       21.14708  74.93979 14.63129  90.91392 11.63028  -15.97413      18.69058  
1 1 1 39 4  16 o 45.44920 16.70914  25.33075       19.94630  25.33075       19.94630  ?              ?         45.44920 16.70914  ?        ?         ?              ?         
1 1 1 39 5  0  o 31.23845 13.50791  14.09487       8.634183  14.09487       8.634183  14.09487       8.634183  31.23845 13.50791  31.23845 13.50791  0.000000       0.000000  
1 1 1 39 5  1  o 71.36854 2.872162  52.27206       2.797056  36.57615       5.594112  67.96799       5.594112  60.37216 4.633024  82.36492 3.395931  -21.99276      5.744324  
1 1 1 39 5  2  o 163.8000 1.682710  268.5698       3.897772  271.6718       7.795544  265.4678       7.795544  164.7469 2.365915  162.8531 2.393428  1.893784       3.365420  
1 1 1 39 5  3  f 116.2916 1.950499  135.5834       3.202081  126.2439       6.404162  144.9228       6.404162  112.2761 2.851970  120.3071 2.661589  -8.031029      3.900998  
1 1 1 39 5  4  o 51.61734 5.145633  29.21423       3.311677  14.63809       6.623353  43.79037       6.623353  37.22555 8.985538  66.00912 5.016998  -28.78357      10.29127  
1 1 1 39 5  5  o 193.0738 2.155293  373.5142       5.884778  370.0024       11.76956  377.0260       11.76956  192.1643 3.062367  193.9832 3.033653  -1.818878      4.310585  
1 1 1 39 5  6  o 89.42068 3.467227  80.50948       4.374272  74.15296       8.748544  86.86599       8.748544  85.86641 5.094276  92.97496 4.704785  -7.108551      6.934454  
1 1 1 39 5  7  f 162.8855 2.413512  266.7591       5.541698  242.1288       11.08340  291.3894       11.08340  155.3249 3.567810  170.4461 3.251290  -15.12123      4.827024  
1 1 1 39 5  8  o 197.9821 2.323280  394.3992       6.475638  351.4093       12.95128  437.3891       12.95128  187.1251 3.460592  208.8391 3.100778  -21.71402      4.646560  
1 1 1 39 5  9  o 178.9266 2.706744  321.8521       6.847308  313.2607       13.69462  330.4434       13.69462  176.5258 3.878927  181.3274 3.776212  -4.801559      5.413488  
1 1 1 39 5  10 o 153.0486 3.151338  236.0487       6.818718  229.2633       13.63744  242.8340       13.63744  150.8319 4.520741  155.2654 4.391655  -4.433472      6.302676  
1 1 1 39 5  11 o 68.15226 6.202321  48.57919       5.851423  37.50056       11.70285  59.65782       11.70285  60.02440 9.748406  76.28011 7.670967  -16.25571      12.40464  
1 1 1 39 5  12 o 137.2983 4.482121  193.1303       8.634183  220.5243       17.26837  165.7363       17.26837  147.2744 5.862652  127.3222 6.781366  19.95219       8.964241  
1 1 1 39 5  13 o 54.26121 9.999880  33.74574       7.838428  40.11179       15.67686  27.37970       15.67686  59.53694 13.47757  48.98549 14.77652  10.55145       19.99976  
1 1 1 39 5  14 o 64.60773 7.932731  45.72496       7.095088  47.17352       14.19018  44.27640       14.19018  66.22889 10.71298  62.98656 11.70235  3.242325       15.86546  
1 1 1 39 5  15 f 146.4548 4.066665  220.1335       8.419759  213.4625       16.83952  226.8046       16.83952  144.1774 5.839862  148.7323 5.661014  -4.554993      8.133330  
1 1 1 39 5  16 o 35.54277 15.12537  7.995674       18.85988  7.995674       18.85988  ?              ?         35.54277 15.12537  ?        ?         ?              ?         
1 1 1 39 6  0  o 17.78446 11.36162  1.248430       8.719954  1.248430       8.719954  1.248430       8.719954  17.78446 11.36162  17.78446 11.36162  0.000000       0.000000  
1 1 1 39 6  1  o 84.54619 2.463312  71.94201       2.925711  62.41200       5.851423  81.47200       5.851423  78.91021 3.707646  90.18216 3.244224  -11.27195      4.926625  
1 1 1 39 6  2  o 188.2855 1.766713  355.2023       4.698292  375.9491       9.396584  334.4555       9.396584  193.7949 2.424363  182.7761 2.570518  11.01880       3.533426  
1 1 1 39 6  3  o 155.8225 1.791015  243.3487       3.940656  227.7099       7.881313  258.9874       7.881313  150.8044 2.613092  160.8406 2.450038  -10.03625      3.582029  
1 1 1 39 6  4  o 98.90179 2.102171  98.52596       2.916181  84.04510       5.832363  113.0068       5.832363  91.58097 3.184266  106.2226 2.745349  -14.64164      4.204341  
1 1 1 39 6  5  o 163.4203 2.110684  267.6883       4.874598  279.2577       9.749194  256.1189       9.749194  166.9601 2.919618  159.8806 3.048899  7.079544       4.221369  
1 1 1 39 6  6  o 189.9204 2.276303  361.7589       6.108732  344.6717       12.21746  378.8462       12.21746  185.4219 3.294504  194.4190 3.142046  -8.997070      4.552605  
1 1 1 39 6  7  o 36.82408 7.993343  13.88045       4.707822  9.139274       9.415645  18.62163       9.415645  31.98501 11.50725  41.66315 11.09763  -9.678143      15.98669  
1 1 1 39 6  8  o 171.0627 2.643000  294.5533       6.370807  265.8014       12.74161  323.3054       12.74161  162.6587 3.916672  179.4666 3.549857  -16.80788      5.286001  
1 1 1 39 6  9  o 104.2707 3.553102  109.7904       5.231973  103.0861       10.46395  116.4948       10.46395  101.0558 5.177311  107.4855 4.867606  -6.429764      7.106204  
1 1 1 39 6  10 o 128.2760 3.523032  166.5130       6.366043  183.3573       12.73209  149.6687       12.73209  134.8416 4.721126  121.7103 5.230486  13.13129       7.046064  
1 1 1 39 6  11 o 47.39738 8.731287  24.87331       5.918132  23.62488       11.83626  26.12174       11.83626  46.19990 12.50481  48.59487 12.18898  -2.394970      17.46257  
1 1 1 39 6  12 o 28.35016 8.403193  2.582631       5.679882  3.526102       11.35976  1.639161       11.35976  28.95023 11.99537  27.75009 11.77139  1.200136       16.80639  
1 1 1 39 6  13 f 62.94212 9.328091  44.56707       8.038558  43.33293       16.07712  45.80120       16.07712  61.95717 13.35548  63.92707 13.02629  -1.969898      18.65618  
1 1 1 39 6  14 o 59.51045 10.99431  42.64200       9.501414  33.50750       19.00283  51.77651       19.00283  52.65242 16.34753  66.36848 14.70571  -13.71606      21.98862  
1 1 1 39 6  15 o 39.28721 10.19444  14.18065       8.076677  1.458091       16.15335  26.90320       16.15335  31.28806 13.66486  47.28636 15.13202  -15.99830      20.38889  
1 1 1 39 6  16 o 30.13759 13.41476  -0.2763701     16.38207  -0.2763701     16.38207  ?              ?         30.13759 13.41476  ?        ?         ?              ?         
1 1 1 39 7  0  o 104.1000 4.485434  109.1567       9.301284  109.1567       9.301284  109.1567       9.301284  104.1000 4.485434  104.1000 4.485434  0.000000       0.000000  
1 1 1 39 7  1  o 180.6313 1.818754  326.6599       4.645877  323.6008       9.291754  329.7191       9.291754  179.7845 2.584136  181.4781 2.560021  -1.693573      3.637508  
1 1 1 39 7  2  o 133.7981 1.945957  179.6882       3.669051  197.1186       7.338103  162.2578       7.338103  140.3118 2.614927  127.2845 2.882560  13.02737       3.891914  
1 1 1 39 7  3  o 92.90715 2.358739  87.87140       3.025776  66.08105       6.051552  109.6618       6.051552  81.18019 3.727235  104.6341 2.891769  -23.45391      4.717479  
1 1 1 39 7  4  o 148.6826 1.874110  221.3915       3.940656  222.0967       7.881313  220.6863       7.881313  148.9198 2.646161  148.4455 2.654616  0.4743195      3.748220  
1 1 1 39 7  5  o 258.6766 2.218492  670.8408       8.110033  641.7696       16.22007  699.9120       16.22007  253.0574 3.204820  264.2959 3.068543  -11.23848      4.436984  
1 1 1 39 7  6  o 133.0457 2.607751  178.4779       4.869832  153.4140       9.739664  203.5418       9.739664  123.6264 3.939153  142.4650 3.418267  -18.83857      5.215503  
1 1 1 39 7  7  o 103.1196 3.091174  106.9552       4.507692  108.2799       9.015384  105.6306       9.015384  103.7619 4.344267  102.4773 4.398724  1.284599       6.182348  
1 1 1 39 7  8  o 64.43271 5.495427  42.41805       4.984192  47.04963       9.968384  37.78646       9.968384  68.02683 7.326804  60.83858 8.192485  7.188248       10.99085  
1 1 1 39 7  9  o 157.8225 2.867290  250.5295       6.399398  248.0279       12.79880  253.0312       12.79880  157.0299 4.075273  158.6150 4.034547  -1.585098      5.734581  
1 1 1 39 7  10 o 80.42607 5.349154  66.13823       6.075377  62.13562       12.15075  70.14082       12.15075  77.93770 7.795172  82.91444 7.327285  -4.976746      10.69831  
1 1 1 39 7  11 o 104.7773 3.901001  111.3629       5.779948  112.9591       11.55990  109.7666       11.55990  105.5391 5.476595  104.0156 5.556809  1.523491       7.802002  
1 1 1 39 7  12 o 38.81223 10.56445  11.74573       8.491233  20.03207       16.98247  3.459391       16.98247  43.77750 15.48355  33.84695 14.37672  9.930542       21.12890  
1 1 1 39 7  13 o 43.63236 9.358199  21.15661       6.342218  17.36367       12.68444  24.94955       12.68444  40.22576 13.42694  47.03897 13.03921  -6.813213      18.71640  
1 1 1 39 7  14 o 55.11317 11.07201  36.50468       9.063033  33.23112       18.12607  39.77823       18.12607  52.59710 15.89353  57.62925 15.41926  -5.032146      22.14403  
1 1 1 39 7  15 o 81.75513 7.799940  73.24284       9.001088  68.48260       18.00218  78.00307       18.00218  78.84386 11.41635  84.66641 10.63124  -5.822556      15.59988  
1 1 1 39 7  16 o 31.55794 14.20190  -0.7624003     18.82176  -0.7624003     18.82176  ?              ?         31.55794 14.20190  ?        ?         ?              ?         
1 1 1 39 8  0  o 223.1890 3.843345  499.2388       17.14448  499.2388       17.14448  499.2388       17.14448  223.1890 3.843345  223.1890 3.843345  0.000000       0.000000  
1 1 1 39 8  1  o 151.4740 1.885675  229.8732       4.035956  240.8613       8.071913  218.8851       8.071913  155.1011 2.602146  147.8469 2.729821  7.254120       3.771351  
1 1 1 39 8  2  o 127.0381 2.125039  161.9624       3.807237  148.0772       7.614474  175.8476       7.614474  121.5731 3.131645  132.5030 2.873320  -10.92996      4.250079  
1 1 1 39 8  3  o 114.9186 2.080667  132.3765       3.378386  125.8437       6.756773  138.9093       6.756773  112.0762 3.014364  117.7610 2.868850  -5.684731      4.161333  
1 1 1 39 8  4  o 96.89952 2.337444  94.13261       3.202081  91.32602       6.404162  96.93920       6.404162  95.45132 3.354675  98.34772 3.255878  -2.896393      4.674888  
1 1 1 39 8  5  o 170.7884 2.125384  292.3138       5.131907  300.6144       10.26381  284.0132       10.26381  173.2185 2.962679  168.3583 3.048206  4.860184       4.250768  
1 1 1 39 8  6  o 101.4131 3.255985  103.4196       4.669702  103.8008       9.339403  103.0384       9.339403  101.6010 4.596117  101.2251 4.613184  0.3758850      6.511971  
1 1 1 39 8  7  o 89.92561 3.883488  81.62925       4.936542  84.44536       9.873084  78.81313       9.873084  91.49142 5.395634  88.35981 5.586864  3.131607       7.766976  
1 1 1 39 8  8  o 69.70923 5.095566  49.42737       5.022312  48.25994       10.04462  50.59479       10.04462  68.87187 7.292254  70.54659 7.119142  -1.674721      10.19113  
1 1 1 39 8  9  o 150.6418 3.095708  228.4913       6.594762  225.8992       13.18952  231.0835       13.18952  149.7814 4.402925  151.5022 4.352916  -1.720764      6.191415  
1 1 1 39 8  10 o 68.38018 5.535831  48.66496       5.203382  61.51618       10.40676  35.81376       10.40676  77.77706 6.690124  58.98330 8.821789  18.79377       11.07166  
1 1 1 39 8  11 o 25.73208 8.156712  -5.989607      6.361277  1.429500       12.72255  -13.40871      12.72255  29.00295 12.38504  22.46121 10.61784  6.541737       16.31342  
1 1 1 39 8  12 o 172.6563 2.757850  300.3667       6.732948  294.5152       13.46590  306.2181       13.46590  170.9617 3.938278  174.3508 3.861725  -3.389038      5.515700  
1 1 1 39 8  13 o 195.8644 3.867718  390.1250       10.70696  405.4254       21.41392  374.8246       21.41392  199.7702 5.359637  191.9585 5.577747  7.811737       7.735436  
1 1 1 39 8  14 o 35.87995 9.439366  5.689412       7.719304  25.54041       15.43861  -14.16159      15.43861  46.83369 14.77387  24.92621 11.75327  21.90748       18.87873  
1 1 1 39 8  15 o 110.4793 6.735103  131.2663       10.46871  145.5994       20.93742  116.9331       20.93742  116.9661 8.950207  103.9925 10.06679  12.97359       13.47021  
1 1 1 39 8  16 o 32.60109 14.23595  4.088372       17.52568  4.088372       17.52568  ?              ?         32.60109 14.23595  ?        ?         ?              ?         
1 1 1 39 9  0  o 95.48473 4.973974  92.12655       9.444233  92.12655       9.444233  92.12655       9.444233  95.48473 4.973974  95.48473 4.973974  0.000000       0.000000  
1 1 1 39 9  1  o 130.5477 1.959438  170.8587       3.611871  181.8992       7.223743  159.8182       7.223743  134.7763 2.679902  126.3192 2.859322  8.457077       3.918877  
1 1 1 39 9  2  o 159.8830 1.891716  256.1189       4.274207  267.4119       8.548413  244.8258       8.548413  163.4147 2.615558  156.3514 2.733719  7.063324       3.783433  
1 1 1 39 9  3  f 98.93066 2.482973  98.13044       3.473686  96.86296       6.947372  99.39793       6.947372  98.29007 3.534117  99.57126 3.488644  -1.281189      4.965946  
1 1 1 39 9  4  o 80.64752 2.852211  65.68555       3.221142  55.15014       6.442283  76.22097       6.442283  74.11576 4.346095  87.17929 3.694847  -13.06353      5.704422  
1 1 1 39 9  5  o 48.94032 5.626167  24.87331       3.750056  20.29891       7.500113  29.44771       7.500113  43.91111 8.850637  53.96953 6.948470  -10.05842      11.25233  
1 1 1 39 9  6  o 89.75371 3.348713  81.60542       4.207497  94.87119       8.414993  68.33965       8.414993  97.14381 4.331205  82.36362 5.108441  14.78019       6.697425  
1 1 1 39 9  7  o 54.13841 5.691013  29.88609       4.355212  28.85685       8.710423  30.91533       8.710423  53.18785 8.188358  55.08898 7.905777  -1.901127      11.38203  
1 1 1 39 9  8  o 80.36012 4.125985  65.33772       4.688762  66.13823       9.377523  64.53719       9.377523  80.85820 5.798747  79.86204 5.871077  0.9961624      8.251970  
1 1 1 39 9  9  o 94.33275 4.012217  90.72087       5.289153  74.86771       10.57831  106.5740       10.57831  85.92995 6.155190  102.7355 5.148318  -16.80558      8.024434  
1 1 1 39 9  10 o 51.65155 7.639081  29.18087       5.555993  41.65565       11.11199  16.70610       11.11199  63.60961 8.734517  39.69350 12.53517  23.91611       15.27816  
1 1 1 39 9  11 o 39.34168 7.936751  16.05329       5.179556  5.203382       10.35911  26.90320       10.35911  29.10525 11.67958  49.57811 10.74967  -20.47286      15.87350  
1 1 1 39 9  12 o 127.1445 4.053040  164.3544       7.285687  159.9135       14.57137  168.7954       14.57137  125.3981 5.810047  128.8909 5.652598  -3.492851      8.106079  
1 1 1 39 9  13 o 69.84243 8.633562  55.36456       8.024263  34.58438       16.04853  76.14473       16.04853  54.58488 14.46525  85.09998 9.429218  -30.51510      17.26712  
1 1 1 39 9  14 o 89.26837 6.988677  86.83740       8.438819  59.45770       16.87764  114.2171       16.87764  73.93276 11.41418  104.6040 8.067398  -30.67121      13.97735  
1 1 1 39 9  15 o 32.49443 9.450878  0.8052854      7.948023  18.52633       15.89605  -16.91576      15.89605  40.75099 14.92288  24.23787 11.60103  16.51312       18.90176  
1 1 1 39 9  16 o 26.64512 12.66060  -14.41890      18.29761  -14.41890      18.29761  ?              ?         26.64512 12.66060  ?        ?         ?              ?         
1 1 1 39 10 0  o 65.02494 7.692251  44.27640       9.768253  44.27640       9.768253  44.27640       9.768253  65.02494 7.692251  65.02494 7.692251  0.000000       0.000000  
1 1 1 39 10 1  o 32.38608 5.268161  8.905789       3.225906  22.57658       6.451812  -4.765002      6.451812  47.29002 6.821537  17.48213 8.029988  29.80789       10.53632  
1 1 1 39 10 2  o 163.9797 1.960746  269.5609       4.541047  285.4713       9.082094  253.6506       9.082094  168.8310 2.689700  159.1284 2.853701  9.702621       3.921491  
1 1 1 39 10 3  o 121.7565 2.251659  148.6442       3.873947  141.7112       7.747893  155.5773       7.747893  118.9094 3.257897  124.6037 3.109015  -5.694229      4.503317  
1 1 1 39 10 4  o 115.1035 2.254464  132.7958       3.669051  135.9646       7.338103  129.6271       7.338103  116.4800 3.149941  113.7271 3.226191  2.752945       4.508928  
1 1 1 39 10 5  o 124.4454 2.192149  155.3200       3.854887  148.1153       7.709774  162.5247       7.709774  121.5507 3.171422  127.3402 3.027236  -5.789436      4.384299  
1 1 1 39 10 6  o 141.5316 2.569054  201.7359       5.117613  179.1355       10.23522  224.3363       10.23522  133.5474 3.832058  149.5158 3.422790  -15.96846      5.138109  
1 1 1 39 10 7  o 74.48999 4.288454  56.48433       4.469572  47.11634       8.939144  65.85233       8.939144  68.20190 6.553442  80.77808 5.533150  -12.57618      8.576908  
1 1 1 39 10 8  o 32.97650 7.355606  6.747242       4.946072  -8.519823      9.892144  22.01431       9.892144  20.86043 9.720884  45.09257 11.04193  -24.23214      14.71121  
1 1 1 39 10 9  o 95.98055 3.719486  93.22726       5.036607  100.5987       10.07321  85.85580       10.07321  99.82062 5.045658  92.14046 5.466227  7.680153       7.438972  
1 1 1 39 10 10 o 42.42778 8.423281  18.96947       5.760887  7.900373       11.52177  30.03857       11.52177  32.31846 12.50382  52.53711 11.28987  -20.21864      16.84656  
1 1 1 39 10 11 o 138.2007 3.592844  193.5020       7.018848  186.8452       14.03770  200.1587       14.03770  135.7924 5.168809  140.6091 4.991746  -4.816711      7.185689  
1 1 1 39 10 12 o 157.5349 3.286497  251.3014       7.304748  231.6648       14.60950  270.9380       14.60950  151.3025 4.827910  163.7674 4.460441  -12.46489      6.572994  
1 1 1 39 10 13 o 40.49826 9.580877  16.70133       6.937842  26.77931       13.87568  6.623353       13.87568  48.23826 13.72502  32.75826 13.37149  15.48001       19.16175  
1 1 1 39 10 14 o 48.19244 11.81421  27.70372       9.844495  27.12239       19.68899  28.28505       19.68899  47.79938 16.69470  48.58549 16.72091  -0.7861137     23.62841  
1 1 1 39 10 15 o 32.81210 9.661608  6.285037       7.542998  0.8291104      15.08600  11.74096       15.08600  29.84595 13.11886  35.77826 14.18739  -5.932316      19.32322  
1 1 1 39 10 16 o 97.68806 6.541688  104.1582       8.991558  115.2749       17.98312  93.04142       17.98312  103.3780 8.697750  91.99814 9.773632  11.37985       13.08338  
1 1 1 39 11 0  o 178.6446 3.617509  319.9699       12.91316  319.9699       12.91316  319.9699       12.91316  178.6446 3.617509  178.6446 3.617509  0.000000       0.000000  
1 1 1 39 11 1  o 161.8245 1.855201  263.2330       4.221792  295.3634       8.443583  231.1026       8.443583  171.7520 2.458074  151.8969 2.779380  19.85510       3.710401  
1 1 1 39 11 2  o 70.06711 3.305708  50.05158       3.202081  37.98660       6.404162  62.11657       6.404162  61.45751 5.210236  78.67670 4.069923  -17.21918      6.611417  
1 1 1 39 11 3  o 85.70581 2.944278  74.50081       3.511806  59.31474       7.023612  89.68686       7.023612  76.84641 4.569903  94.56522 3.713634  -17.71882      5.888556  
1 1 1 39 11 4  o 60.39007 3.688687  36.91924       3.121076  42.66583       6.242152  31.17264       6.242152  65.14796 4.790751  55.63217 5.610200  9.515793       7.377373  
1 1 1 39 11 5  o 48.94402 5.714929  26.32187       3.616637  39.35892       7.233273  13.28483       7.233273  62.44940 5.791307  35.43864 9.854054  27.01076       11.42986  
1 1 1 39 11 6  o 191.5758 2.218098  368.1393       6.008667  361.1967       12.01733  375.0819       12.01733  189.7639 3.166392  193.3878 3.107056  -3.623947      4.436196  
1 1 1 39 11 7  o 193.0179 2.112804  373.6905       5.765652  383.9448       11.53130  363.4362       11.53130  195.6742 2.946557  190.3616 3.028789  5.312622       4.225608  
1 1 1 39 11 8  o 136.6322 2.547765  187.7935       4.912717  201.7121       9.825435  173.8749       9.825435  141.7256 3.466358  131.5387 3.734807  10.18690       5.095530  
1 1 1 39 11 9  o 136.6166 3.238911  188.7036       6.227858  209.7840       12.45572  167.6232       12.45572  144.3317 4.314961  128.9014 4.831490  15.43033       6.477822  
1 1 1 39 11 10 o 90.32727 5.078552  83.56860       6.470873  76.83089       12.94175  90.30631       12.94175  86.59766 7.472341  94.05688 6.879745  -7.459221      10.15710  
1 1 1 39 11 11 o 39.45510 8.672215  15.38143       5.980077  26.85555       11.96015  3.907302       11.96015  49.14002 12.20842  29.77018 12.32005  19.36984       17.34443  
1 1 1 39 11 12 f 72.60329 6.751112  55.34550       6.904487  60.75378       13.80897  49.93722       13.80897  76.32783 9.045833  68.87875 10.02412  7.449081       13.50222  
1 1 1 39 11 13 o 71.14787 8.056792  56.71305       7.595412  38.72993       15.19082  74.69617       15.19082  58.03428 13.35641  84.26147 9.014100  -26.22718      16.11358  
1 1 1 39 11 14 o 35.67804 9.920361  11.32641       7.319043  11.47412       14.63809  11.17869       14.63809  35.77070 14.04106  35.58538 14.01795  0.1853256      19.84072  
1 1 1 39 11 15 o 30.88840 13.66882  0.4097902      16.70610  0.4097902      16.70610  ?              ?         30.88840 13.66882  ?        ?         ?              ?         
1 1 1 39 11 16 o 25.70480 11.28387  0.2477801      11.13105  0.2477801      11.13105  ?              ?         25.70480 11.28387  ?        ?         ?              ?         
1 1 1 39 12 0  o 131.6999 4.166338  174.2847       10.94998  174.2847       10.94998  174.2847       10.94998  131.6999 4.166338  131.6999 4.166338  0.000000       0.000000  
1 1 1 39 12 1  o 83.34253 3.138647  69.76916       3.697641  72.19931       7.395282  67.33900       7.395282  84.80045 4.360403  81.88460 4.515674  2.915855       6.277295  
1 1 1 39 12 2  o 223.9906 1.808304  502.4504       5.727532  511.1132       11.45506  493.7876       11.45506  225.9243 2.535156  222.0568 2.579309  3.867477       3.616608  
1 1 1 39 12 3  o 124.4446 2.175753  155.2676       3.826297  148.3822       7.652593  162.1530       7.652593  121.6781 3.144605  127.2111 3.007833  -5.532928      4.351506  
1 1 1 39 12 4  o 152.9920 2.009189  234.6001       4.345681  227.5765       8.691362  241.6237       8.691362  150.6965 2.883730  155.2874 2.798477  -4.590836      4.018379  
1 1 1 39 12 5  o 125.4328 2.524960  158.1504       4.469572  146.3618       8.939144  169.9390       8.939144  120.7336 3.702012  130.1319 3.434647  -9.398346      5.049920  
1 1 1 39 12 6  o 102.7747 2.730756  106.2595       3.959717  97.90173       7.919433  114.6174       7.919433  98.70861 4.011521  106.8408 3.706184  -8.132179      5.461511  
1 1 1 39 12 7  o 75.77898 3.978983  58.41891       4.221792  49.05093       8.443583  67.78692       8.443583  69.59785 6.065979  81.96011 5.151032  -12.36226      7.957967  
1 1 1 39 12 8  o 120.9334 2.757100  147.2052       4.707822  137.6609       9.415645  156.7495       9.415645  116.9873 4.024216  124.8795 3.769892  -7.892189      5.514199  
1 1 1 39 12 9  o 98.11198 3.674082  98.75943       4.974662  74.21014       9.949325  123.3087       9.949325  85.60113 5.811445  110.6228 4.496958  -25.02171      7.348165  
1 1 1 39 12 10 o 91.56148 3.823659  85.32213       4.922247  95.79560       9.844495  74.84866       9.844495  97.28085 5.059832  85.84212 5.734070  11.43873       7.647317  
1 1 1 39 12 11 o 132.0242 3.013124  176.2908       5.603642  194.1738       11.20728  158.4077       11.20728  138.7968 4.037300  125.2515 4.473912  13.54530       6.026249  
1 1 1 39 12 12 o 76.86229 6.590919  61.81637       7.161798  60.01044       14.32360  63.62230       14.32360  75.68750 9.462326  78.03707 9.177431  -2.349571      13.18184  
1 1 1 39 12 13 o 27.73792 7.769897  2.859002       4.984192  -5.603642      9.968384  11.32164       9.968384  21.94456 10.03840  33.53128 11.86236  -11.58672      15.53979  
1 1 1 39 12 14 o 109.4551 4.055435  123.1181       6.261212  113.1402       12.52242  133.0960       12.52242  104.8971 5.968909  114.0131 5.491661  -9.115990      8.110870  
1 1 1 39 12 15 o 92.22322 5.444249  89.63445       7.099854  88.23830       14.19971  91.03060       14.19971  91.46629 7.762262  92.98016 7.635879  -1.513878      10.88850  
1 1 1 39 12 16 o 32.51320 13.17967  9.063033       13.38013  9.063033       13.38013  ?              ?         32.51320 13.17967  ?        ?         ?              ?         
1 1 1 39 13 0  o 49.30416 11.22975  28.01821       9.634833  28.01821       9.634833  28.01821       9.634833  49.30416 11.22975  49.30416 11.22975  0.000000       0.000000  
1 1 1 39 13 1  o 224.3510 1.908928  504.1467       6.056317  498.0571       12.11263  510.2364       12.11263  222.9938 2.715913  225.7082 2.683251  -2.714325      3.817855  
1 1 1 39 13 2  o 265.4093 2.067272  706.1875       7.752658  672.2465       15.50532  740.1286       15.50532  259.0152 2.993129  271.8034 2.852304  -12.78824      4.134544  
1 1 1 39 13 3  o 84.15820 3.146681  71.23202       3.740526  75.27750       7.481052  67.18652       7.481052  86.56171 4.321226  81.75471 4.575305  4.806999       6.293362  
1 1 1 39 13 4  o 64.78300 4.099214  43.78560       3.564222  28.16116       7.128443  59.41005       7.128443  52.72395 6.760157  76.84206 4.638373  -24.11811      8.198428  
1 1 1 39 13 5  o 67.16010 4.188891  45.96797       3.926362  37.51009       7.852723  54.42585       7.852723  60.86329 6.451117  73.45689 5.345123  -12.59361      8.377783  
1 1 1 39 13 6  f 139.9614 2.375811  196.8279       4.693527  182.7950       9.387053  210.8609       9.387053  134.9483 3.478019  144.9745 3.237484  -10.02628      4.751623  
1 1 1 39 13 7  o 99.24064 3.668459  100.8799       5.031842  76.55452       10.06368  125.2052       10.06368  86.98490 5.784730  111.4964 4.513010  -24.51147      7.336917  
1 1 1 39 13 8  f 100.2334 3.423979  101.3897       4.850772  97.47288       9.701544  105.3065       9.701544  98.27952 4.935690  102.1872 4.746945  -3.907715      6.847958  
1 1 1 39 13 9  o 53.38818 6.726397  32.74509       4.855536  54.87376       9.711073  10.61642       9.711073  73.44992 6.610677  33.32644 11.71651  40.12348       13.45279  
1 1 1 39 13 10 f 63.19260 5.187880  41.08861       4.622052  44.70525       9.244103  37.47198       9.244103  66.05420 6.997363  60.33101 7.661155  5.723194       10.37576  
1 1 1 39 13 11 o 51.71917 7.093770  28.90450       5.003252  29.22852       10.00650  28.58048       10.00650  52.03669 9.970470  51.40165 10.09336  0.6350403      14.18754  
1 1 1 39 13 12 f 48.97050 7.170027  26.45529       4.917482  36.95736       9.834964  15.95323       9.834964  59.68806 8.238636  38.25294 11.73721  21.43512       14.34005  
1 1 1 39 13 13 o 114.0509 4.132794  133.4629       6.628118  149.4686       13.25624  117.4573       13.25624  121.0678 5.474714  107.0341 6.192532  14.03377       8.265588  
1 1 1 39 13 14 o 33.13041 9.301916  7.247568       6.852073  -1.019710      13.70415  15.51485       13.70415  28.04552 12.39931  38.21530 13.86938  -10.16979      18.60383  
1 1 1 39 13 15 o 27.94556 8.801581  -2.825646      7.266628  5.146202       14.53326  -10.79749      14.53326  31.35340 13.30794  24.53773 11.52259  6.815676       17.60316  
1 1 1 39 13 16 o 53.28353 13.16864  35.60410       13.97099  35.60410       13.97099  ?              ?         53.28353 13.16864  ?        ?         ?              ?         
1 1 1 39 14 0  o 212.7764 3.744698  453.9045       15.92464  453.9045       15.92464  453.9045       15.92464  212.7764 3.744698  212.7764 3.744698  0.000000       0.000000  
1 1 1 39 14 1  o 119.5791 2.368621  143.5600       3.997837  153.8333       7.995674  133.2866       7.995674  123.8747 3.227322  115.2835 3.467831  8.591248       4.737242  
1 1 1 39 14 2  o 33.13920 6.824138  11.45983       3.406976  9.968384       6.813953  12.95128       6.813953  31.27727 9.804828  35.00112 9.494250  -3.723848      13.64828  
1 1 1 39 14 3  o 72.88046 3.510581  53.73016       3.592812  61.02061       7.185624  46.43970       7.185624  77.88211 4.613141  67.87881 5.292980  10.00330       7.021162  
1 1 1 39 14 4  o 55.89832 4.835310  32.19712       3.726231  24.06326       7.452463  40.33097       7.452463  48.62274 7.663556  63.17391 5.898371  -14.55117      9.670619  
1 1 1 39 14 5  o 68.95670 4.218081  48.27900       4.083606  41.65565       8.167212  54.90235       8.167212  64.15415 6.365303  73.75925 5.536400  -9.605095      8.436161  
1 1 1 39 14 6  o 84.11528 3.527788  71.49409       4.183672  65.08993       8.367344  77.89825       8.367344  80.30850 5.209501  87.92206 4.758388  -7.613556      7.055576  
1 1 1 39 14 7  o 41.23330 7.394905  18.34049       4.345681  15.53391       8.691362  21.14708       8.691362  38.09995 10.86955  44.36665 10.02952  -6.266701      14.78981  
1 1 1 39 14 8  o 115.5647 3.115126  134.5684       5.089022  139.0237       10.17804  130.1131       10.17804  117.4923 4.331368  113.6370 4.478313  3.855225       6.230251  
1 1 1 39 14 9  o 58.19597 6.452050  35.60410       5.170027  31.92551       10.34005  39.28268       10.34005  54.63541 9.819962  61.75652 8.371629  -7.121113      12.90410  
1 1 1 39 14 10 o 113.9128 3.587756  132.1669       5.727532  111.9871       11.45506  152.3466       11.45506  105.0552 5.451926  122.7703 4.665241  -17.71513      7.175511  
1 1 1 39 14 11 o 158.0808 2.969008  252.2640       6.632883  241.4808       13.26577  263.0472       13.26577  154.6702 4.288404  161.4915 4.107265  -6.821304      5.938016  
1 1 1 39 14 12 o 63.10200 6.828193  42.83736       5.856187  50.87116       11.71237  34.80357       11.71237  69.88866 8.379311  56.31534 10.78351  13.57331       13.65639  
1 1 1 39 14 13 o 23.46108 7.735193  -10.17328      6.342218  -5.289153      12.68444  -15.05741      12.68444  25.26870 11.48582  21.65347 10.36382  3.615232       15.47039  
1 1 1 39 14 14 o 96.39523 5.428702  97.99703       7.319043  82.03427       14.63809  113.9598       14.63809  88.11539 8.306203  104.6751 6.992155  -16.55968      10.85740  
1 1 1 39 14 15 o 26.56711 8.493261  -2.839941      6.809187  -2.458741      13.61837  -3.221142      13.61837  26.73238 12.05254  26.40185 11.96989  0.3305283      16.98652  
1 1 1 39 14 16 o 40.94670 14.85700  23.07214       15.72451  23.07214       15.72451  ?              ?         40.94670 14.85700  ?        ?         ?              ?         
1 1 1 39 15 0  o 82.01412 6.915637  69.11159       11.18822  69.11159       11.18822  69.11159       11.18822  82.01412 6.915637  82.01412 6.915637  0.000000       0.000000  
1 1 1 39 15 1  o 81.77580 3.127036  67.52008       3.592812  58.69530       7.185624  76.34486       7.185624  76.38008 4.703859  87.17152 4.121543  -10.79144      6.254072  
1 1 1 39 15 2  o 61.27473 4.292747  38.18672       3.683347  44.27640       7.366693  32.09705       7.366693  66.24388 5.560282  56.30557 6.541710  9.938313       8.585494  
1 1 1 39 15 3  o 42.57033 5.966746  18.94088       3.521337  16.11524       7.042673  21.76653       7.042673  38.89106 9.189057  46.24959 7.613769  -7.358524      11.93349  
1 1 1 39 15 4  o 234.6234 2.003323  551.8015       6.647178  552.1494       13.29436  551.4537       13.29436  234.6975 2.832232  234.5492 2.834022  0.1482697      4.006647  
1 1 1 39 15 5  o 65.45411 5.797401  50.38514       4.283737  16.81093       8.567473  83.95933       8.567473  39.59984 10.60327  91.30838 4.691504  -51.70854      11.59480  
1 1 1 39 15 6  o 74.76881 3.902361  57.38492       4.026426  43.11374       8.052853  71.65611       8.052853  65.22527 6.173109  84.31235 4.775607  -19.08708      7.804722  
1 1 1 39 15 7  o 43.38000 6.398216  20.09401       3.878712  13.64697       7.757423  26.54106       7.757423  35.78719 10.28815  50.97283 7.609372  -15.18564      12.79643  
1 1 1 39 15 8  o 100.5976 3.212175  102.1331       4.560107  94.49951       9.120214  109.7666       9.120214  96.80353 4.710682  104.3917 4.368265  -7.588196      6.424350  
1 1 1 39 15 9  o 122.3170 3.209207  151.0887       5.551227  149.8879       11.10245  152.2895       11.10245  121.8261 4.556681  122.8078 4.520256  -0.9816895     6.418415  
1 1 1 39 15 10 o 75.26852 5.208259  58.19020       5.536932  61.48759       11.07386  54.89282       11.07386  77.45894 7.148216  73.07812 7.576731  4.380821       10.41652  
1 1 1 39 15 11 o 54.63786 7.702053  33.17394       5.813303  46.27770       11.62661  20.07019       11.62661  66.71117 8.714137  42.56454 12.70237  24.14662       15.40411  
1 1 1 39 15 12 o 31.89808 8.911943  6.709123       6.151618  0.7624003      12.30324  12.65584       12.30324  27.90581 12.05382  35.89034 13.12998  -7.984529      17.82389  
1 1 1 39 15 13 o 114.4004 4.091996  134.2730       6.609057  143.0835       13.21811  125.4625       13.21811  118.2511 5.589003  110.5497 5.978360  7.701454       8.183992  
1 1 1 39 15 14 o 91.63878 5.234060  88.12871       6.775833  83.61626       13.55167  92.64117       13.55167  89.17669 7.598211  94.10087 7.200606  -4.924179      10.46812  
1 1 1 39 15 15 o 25.00922 11.54414  -6.451812      13.53261  -6.451812      13.53261  ?              ?         25.00922 11.54414  ?        ?         ?              ?         
1 1 1 39 16 0  o 20.38025 12.92961  2.325321       11.12151  2.325321       11.12151  2.325321       11.12151  20.38025 12.92961  20.38025 12.92961  0.000000       0.000000  
1 1 1 39 16 1  o 105.4168 2.803101  113.4213       4.078841  141.6349       8.157682  85.20777       8.157682  118.7987 3.433406  92.03488 4.431843  26.76383       5.606203  
1 1 1 39 16 2  o 86.65289 3.009679  75.50146       3.688112  74.80100       7.376224  76.20191       7.376224  86.24872 4.276135  87.05705 4.236430  -0.8083344     6.019358  
1 1 1 39 16 3  o 87.84962 3.183547  77.64571       3.954952  76.68794       7.909904  78.60348       7.909904  87.30451 4.530066  88.39474 4.474193  -1.090233      6.367095  
1 1 1 39 16 4  o 53.86723 5.771992  30.76286       4.126492  21.36627       8.252983  40.15944       8.252983  44.78322 9.502355  62.95124 6.555060  -18.16802      11.54398  
1 1 1 39 16 5  o 82.44191 3.740997  69.17831       4.307562  56.78930       8.615124  81.56731       8.615124  74.92814 5.748924  89.95569 4.788538  -15.02755      7.481993  
1 1 1 39 16 6  o 169.0990 2.366319  287.3391       5.651292  304.4264       11.30258  270.2519       11.30258  174.1515 3.245044  164.0466 3.444932  10.10490       4.732639  
1 1 1 39 16 7  o 148.7552 2.618583  222.6924       5.498813  207.3348       10.99763  238.0500       10.99763  143.5932 3.829439  153.9172 3.572577  -10.32407      5.237166  
1 1 1 39 16 8  o 68.02261 4.977461  47.46419       4.745942  40.35004       9.491883  54.57833       9.491883  62.79336 7.558032  73.25186 6.478937  -10.45850      9.954922  
1 1 1 39 16 9  o 99.06364 3.778765  99.54565       5.293917  99.19781       10.58783  99.89349       10.58783  98.88808 5.353443  99.23920 5.334502  -0.3511200     7.557530  
1 1 1 39 16 10 o 104.2879 3.981388  110.5385       5.865717  104.7443       11.73143  116.3327       11.73143  101.5099 5.778469  107.0659 5.478605  -5.556007      7.962777  
1 1 1 39 16 11 o 171.0705 2.903543  295.4635       7.018848  309.0771       14.03770  281.8499       14.03770  175.0494 4.009638  167.0915 4.200601  7.957901       5.807086  
1 1 1 39 16 12 o 41.77001 8.454492  17.20642       6.413693  35.31820       12.82739  -0.9053504     12.82739  56.02698 11.81608  27.51304 12.09520  28.51394       16.90898  
1 1 1 39 16 13 o 51.89007 7.373447  30.85815       6.280273  1.477151       12.56055  60.23915       12.56055  28.21024 12.18219  75.56991 8.310547  -47.35967      14.74689  
1 1 1 39 16 14 o 45.51532 10.18709  25.20210       7.342868  24.37775       14.68574  26.02644       14.68574  44.84053 14.43619  46.19010 14.37718  -1.349567      20.37417  
1 1 1 39 16 15 o 74.02293 7.297449  61.03968       7.604944  55.03578       15.20989  67.04358       15.20989  69.96749 10.86925  78.07836 9.740142  -8.110870      14.59490  
1 1 1 39 17 0  o 195.4470 4.319959  383.6208       16.86811  383.6208       16.86811  383.6208       16.86811  195.4470 4.319959  195.4470 4.319959  0.000000       0.000000  
1 1 1 39 17 1  o 83.97080 3.664873  72.10877       4.255147  54.84517       8.510294  89.37237       8.510294  73.69128 5.774289  94.25033 4.514729  -20.55905      7.329747  
1 1 1 39 17 2  o 76.95116 3.747694  60.52505       3.993072  74.57228       7.986144  46.47783       7.986144  86.07851 4.638872  67.82379 5.887421  18.25472       7.495389  
1 1 1 39 17 3  o 110.7552 2.830833  123.4183       4.426687  131.5426       8.853374  115.2940       8.853374  114.4229 3.868708  107.0875 4.133710  7.335388       5.661666  
1 1 1 39 17 4  o 31.29807 5.784731  4.745942       3.897772  23.15791       7.795544  -13.66603      7.795544  46.82227 8.649859  15.77388 7.683255  31.04839       11.56946  
1 1 1 39 17 5  o 83.04253 3.506433  69.56903       4.116962  71.31302       8.233924  67.82504       8.233924  84.09258 4.895750  81.99247 5.021147  2.100105       7.012865  
1 1 1 39 17 6  o 94.57970 3.588393  91.43562       4.707822  111.7202       9.415645  71.15101       9.415645  105.3033 4.470728  83.85615 5.614165  21.44711       7.176786  
1 1 1 39 17 7  o 95.89018 3.845559  93.49411       5.170027  79.53741       10.34005  107.4508       10.34005  88.61275 5.834406  103.1676 5.011289  -14.55487      7.691119  
1 1 1 39 17 8  o 62.90623 6.325635  43.79513       5.027077  23.90125       10.05415  63.68901       10.05415  46.74252 10.93771  79.06994 6.357760  -32.32742      12.65127  
1 1 1 39 17 9  o 34.70541 8.450984  11.46459       5.241503  17.22072       10.48301  5.708472       10.48301  39.78679 12.09968  29.62403 11.80145  10.16276       16.90197  
1 1 1 39 17 10 o 127.5646 3.037752  164.2782       5.479752  166.7179       10.95950  161.8385       10.95950  128.5209 4.263706  126.6084 4.328112  1.912514       6.075503  
1 1 1 39 17 11 o 37.04379 7.026106  8.105269       5.541698  32.78321       11.08340  -16.57268      11.08340  54.76598 10.49313  19.32159 9.346603  35.44439       14.05221  
1 1 1 39 17 12 o 86.38509 4.852391  76.94526       5.927662  77.88872       11.85532  76.00179       11.85532  86.93117 6.818800  85.83900 6.905559  1.092163       9.704782  
1 1 1 39 17 13 o 40.56356 9.342248  17.48279       6.732948  28.75202       13.46590  6.213562       13.46590  49.39310 13.32391  31.73402 13.09900  17.65908       18.68450  
1 1 1 39 17 14 o 61.88961 8.214484  47.07822       7.142738  16.41067       14.28548  77.74577       14.28548  38.41038 14.13880  85.36884 8.366915  -46.95845      16.42897  
1 1 1 39 17 15 o 34.77042 13.31113  12.91316       12.97034  12.91316       12.97034  ?              ?         34.77042 13.31113  ?        ?         ?              ?         
1 1 1 39 18 0  o 50.66040 12.44932  30.33400       10.91185  30.33400       10.91185  30.33400       10.91185  50.66040 12.44932  50.66040 12.44932  0.000000       0.000000  
1 1 1 39 18 1  o 105.5834 2.896862  112.2110       4.317091  120.2496       8.634183  104.1725       8.634183  109.3901 3.946511  101.7766 4.241732  7.613464       5.793724  
1 1 1 39 18 2  o 103.6319 2.859232  108.0083       4.188437  104.1915       8.376874  111.8251       8.376874  101.7904 4.114768  105.4734 3.971085  -3.683006      5.718464  
1 1 1 39 18 3  f 38.71342 7.523233  15.94846       4.402863  21.60452       8.805723  10.29240       8.805723  44.85493 10.06445  32.57192 11.18494  12.28301       15.04647  
1 1 1 39 18 4  o 70.23476 4.416355  51.85275       4.136022  71.32255       8.272044  32.38295       8.272044  84.09528 4.918257  56.37425 7.336722  27.72103       8.832709  
1 1 1 39 18 5  o 33.17888 6.815161  8.024263       4.450512  -6.823483      8.901024  22.87201       8.901024  20.20353 9.339808  46.15423 9.927421  -25.95070      13.63032  
1 1 1 39 18 6  o 89.05565 3.605170  80.40465       4.512457  90.59221       9.024914  70.21706       9.024914  94.77543 4.761209  83.33587 5.414783  11.43956       7.210340  
1 1 1 39 18 7  o 53.57886 6.370023  30.45313       4.636347  23.93937       9.272694  36.96688       9.272694  47.09230 10.13550  60.06541 7.718830  -12.97311      12.74005  
1 1 1 39 18 8  o 111.7831 3.383087  127.2113       5.293917  106.6217       10.58783  147.8008       10.58783  102.5734 5.161099  120.9927 4.375403  -18.41923      6.766173  
1 1 1 39 18 9  o 34.63729 8.712976  11.42647       5.446397  8.224394       10.89279  14.62856       10.89279  31.87922 12.20023  37.39535 12.44260  -5.516130      17.42595  
1 1 1 39 18 10 o 79.38149 5.325224  67.75832       5.546463  95.80512       11.09293  39.71152       11.09293  97.04733 5.715214  61.71566 8.987123  35.33167       10.65045  
1 1 1 39 18 11 o 30.29601 8.467939  5.541698       5.608407  11.71237       11.21681  -0.6289803     11.21681  34.57649 12.54784  26.01552 11.37434  8.560972       16.93588  
1 1 1 39 18 12 o 89.64295 5.242937  83.97363       6.585233  96.61517       13.17047  71.33208       13.17047  96.69401 6.810384  82.59190 7.973219  14.10211       10.48587  
1 1 1 39 18 13 o 50.45862 8.903988  30.20058       6.699593  43.00891       13.39919  17.39226       13.39919  61.61474 11.29457  39.30249 13.76796  22.31225       17.80798  
1 1 1 39 18 14 o 145.4550 3.894805  219.6046       7.928963  184.4056       15.85793  254.8037       15.85793  133.3554 5.945739  157.5547 5.032516  -24.19928      7.789610  
1 1 1 39 18 15 o 39.41448 13.75397  20.24173       13.36106  20.24173       13.36106  ?              ?         39.41448 13.75397  ?        ?         ?              ?         
1 1 1 39 19 0  o 176.6154 4.173514  313.3942       14.72386  313.3942       14.72386  313.3942       14.72386  176.6154 4.173514  176.6154 4.173514  0.000000       0.000000  
1 1 1 39 19 1  o 145.1774 2.293022  211.6805       4.703057  222.6590       9.406114  200.7019       9.406114  148.9584 3.157295  141.3963 3.326153  7.562149       4.586044  
1 1 1 39 19 2  o 108.9438 2.662152  119.3490       4.097902  125.1480       8.195804  113.5500       8.195804  111.6053 3.671782  106.2823 3.855676  5.322929       5.324305  
1 1 1 39 19 3  o 151.3894 2.350512  230.0972       5.031842  233.9426       10.06368  226.2518       10.06368  152.6594 3.296123  150.1194 3.351894  2.540039       4.701024  
1 1 1 39 19 4  f 180.4629 2.157043  326.8410       5.503577  318.1211       11.00715  335.5610       11.00715  178.0469 3.091083  182.8789 3.009410  -4.832001      4.314086  
1 1 1 39 19 5  f 28.92992 7.522947  6.075377       4.307562  11.80767       8.615124  0.3430801      8.615124  33.97762 11.06554  23.88221 10.19475  10.09541       15.04589  
1 1 1 39 19 6  o 80.06506 4.574719  66.79103       4.974662  87.79040       9.949325  45.79167       9.949325  93.17900 5.338824  66.95113 7.430289  26.22787       9.149439  
1 1 1 39 19 7  o 30.92693 8.054642  8.467408       4.645877  7.862253       9.291754  9.072563       9.291754  30.38084 11.36133  31.47302 11.42056  -1.092182      16.10928  
1 1 1 39 19 8  o 81.72206 4.287284  68.02040       4.950837  71.15101       9.901674  64.88980       9.901674  83.63746 5.919402  79.80666 6.203539  3.830795       8.574568  
1 1 1 39 19 9  o 33.28648 8.546906  10.06368       5.289153  6.423223       10.57831  13.70415       10.57831  30.19892 11.91006  36.37405 12.26168  -6.175129      17.09381  
1 1 1 39 19 10 o 32.08723 8.794117  8.157682       5.703707  9.253633       11.40741  7.061733       11.40741  32.90987 12.51692  31.26459 12.35608  1.645283       17.58823  
1 1 1 39 19 11 o 116.6528 3.614584  138.4567       5.961017  134.3540       11.92203  142.5593       11.92203  114.8943 5.188262  118.4113 5.034164  -3.516991      7.229168  
1 1 1 39 19 12 o 28.05470 8.603631  0.6146853      6.385102  -2.954301      12.77020  4.183672       12.77020  26.17884 11.74285  29.93056 12.57757  -3.751713      17.20726  
1 1 1 39 19 13 o 81.07090 6.194180  70.79364       6.995024  83.98792       13.99005  57.59935       13.99005  89.20840 7.841216  72.93340 9.590973  16.27499       12.38836  
1 1 1 39 19 14 o 93.27370 5.517728  92.76506       7.238038  82.17722       14.47608  103.3529       14.47608  87.59801 8.262788  98.94938 7.314890  -11.35137      11.03546  
1 1 1 39 20 0  o 99.15703 6.388028  100.2366       12.56055  100.2366       12.56055  100.2366       12.56055  99.15703 6.388028  99.15703 6.388028  0.000000       0.000000  
1 1 1 39 20 1  o 75.14164 4.266918  57.51834       4.493397  48.74597       8.986794  66.29070       8.986794  69.30442 6.483564  80.97886 5.548851  -11.67444      8.533836  
1 1 1 39 20 2  o 67.16780 4.604908  46.14904       4.321856  38.07236       8.643713  54.22572       8.643713  61.15548 7.066998  73.18011 5.905780  -12.02463      9.209815  
1 1 1 39 20 3  o 82.17281 3.916583  68.48737       4.531517  75.79211       9.063033  61.18263       9.063033  86.61756 5.231638  77.72807 5.829962  8.889496       7.833167  
1 1 1 39 20 4  o 53.71751 6.179267  31.08688       4.388567  20.07019       8.777133  42.10356       8.777133  43.11181 10.30458  64.32320 6.822681  -21.21138      12.35853  
1 1 1 39 20 5  o 185.7449 2.302644  346.4871       6.046787  356.3840       12.09357  336.5902       12.09357  188.4090 3.209394  183.0808 3.302797  5.328232       4.605288  
1 1 1 39 20 6  o 105.6521 3.464222  112.9019       5.170027  106.6789       10.34005  119.1250       10.34005  102.7071 5.033761  108.5972 4.760736  -5.890167      6.928445  
1 1 1 39 20 7  o 67.14208 5.645710  46.69225       5.327272  40.86465       10.65454  52.51985       10.65454  62.80233 8.482603  71.48183 7.452624  -8.679504      11.29142  
1 1 1 39 20 8  o 41.08437 8.502028  18.51203       5.260562  19.68899       10.52112  17.33508       10.52112  42.26555 11.92762  39.90320 12.11898  2.362354       17.00406  
1 1 1 39 20 9  o 97.83250 4.026094  97.34422       5.570287  97.84454       11.14057  96.84390       11.14057  98.08820 5.678855  97.57680 5.708619  0.5114059      8.052188  
1 1 1 39 20 10 o 141.7175 3.312425  203.6657       6.632883  193.9356       13.26577  213.3958       13.26577  138.2846 4.796545  145.1505 4.569660  -6.865875      6.624850  
1 1 1 39 20 11 o 47.40668 8.659625  25.59282       6.261212  13.47543       12.52242  37.71023       12.52242  36.54411 13.25840  58.26926 11.14322  -21.72514      17.31925  
1 1 1 39 20 12 o 45.95760 8.655685  24.36822       6.094438  13.65650       12.18888  35.07994       12.18888  36.20433 13.08599  55.71088 11.33316  -19.50655      17.31137  
1 1 1 39 20 13 o 88.11502 5.506719  82.97298       6.718653  101.3802       13.43731  64.56577       13.43731  98.56001 6.816814  77.67004 8.650250  20.88998       11.01344  
1 1 1 39 20 14 f 92.52915 5.670295  91.66434       7.419108  90.20148       14.83822  93.12720       14.83822  91.73867 8.087219  93.31963 7.950211  -1.580963      11.34059  
1 1 1 39 21 0  o 163.6238 4.846489  269.6038       15.82934  269.6038       15.82934  269.6038       15.82934  163.6238 4.846489  163.6238 4.846489  0.000000       0.000000  
1 1 1 39 21 1  o 45.72273 6.734508  22.48604       4.307562  30.63896       8.615124  14.33313       8.615124  54.71827 7.872255  36.72720 10.92895  17.99106       13.46902  
1 1 1 39 21 2  o 50.83365 6.212883  26.98897       4.369507  28.25646       8.739014  25.72148       8.739014  52.47190 8.327327  49.19540 9.222541  3.276501       12.42577  
1 1 1 39 21 3  o 101.1937 3.229431  103.4768       4.602992  92.85083       9.205984  114.1027       9.205984  95.94344 4.797610  106.4440 4.324330  -10.50060      6.458861  
1 1 1 39 21 4  o 48.86696 6.906023  26.33140       4.717352  12.54149       9.434704  40.12132       9.434704  35.07380 11.57992  62.66013 7.528475  -27.58633      13.81205  
1 1 1 39 21 5  o 102.2140 3.357887  105.6782       4.841242  114.3982       9.682484  96.95826       9.682484  106.4796 4.546639  97.94849 4.942641  8.531082       6.715775  
1 1 1 39 21 6  o 44.77780 7.332516  21.28050       5.370157  38.65369       10.74031  3.907302       10.74031  60.99761 8.803881  28.55798 11.72838  32.43963       14.66503  
1 1 1 39 21 7  o 130.3558 3.122766  171.5496       5.756122  168.4333       11.51224  174.6659       11.51224  129.1605 4.456566  131.5511 4.375578  -2.390625      6.245532  
1 1 1 39 21 8  o 43.58662 8.659945  21.08037       5.589347  23.88219       11.17869  18.27855       11.17869  46.33400 11.97845  40.83924 12.50981  5.494755       17.31989  
1 1 1 39 21 9  o 87.80027 4.803264  79.15145       5.951487  84.95046       11.90297  73.35244       11.90297  91.10265 6.532727  84.49789 7.043357  6.604767       9.606528  
1 1 1 39 21 10 o 91.03499 4.851633  86.20842       6.151618  102.9050       12.30324  69.51185       12.30324  100.2054 6.139009  81.86459 7.514383  18.34081       9.703266  
1 1 1 39 21 11 o 62.63231 7.907229  44.05244       6.737713  33.89822       13.47543  54.20666       13.47543  54.05383 12.67179  71.21079 9.461645  -17.15696      15.81446  
1 1 1 39 21 12 o 67.12594 7.288665  49.27488       6.914018  47.26882       13.82804  51.28095       13.82804  65.63168 10.53457  68.62019 10.07578  -2.988510      14.57733  
1 1 1 39 21 13 o 73.73572 6.979417  61.03968       6.899723  46.37300       13.79945  75.70636       13.79945  63.37121 11.29339  84.10023 8.204167  -20.72902      13.95883  
1 1 1 39 21 14 o 48.56119 15.02831  32.32578       16.07712  32.32578       16.07712  ?              ?         48.56119 15.02831  ?        ?         ?              ?         
1 1 1 39 22 0  o 75.93277 8.671637  60.66801       12.87504  60.66801       12.87504  60.66801       12.87504  75.93277 8.671637  75.93277 8.671637  0.000000       0.000000  
1 1 1 39 22 1  o 43.61412 7.436734  20.69440       4.650642  27.72278       9.301284  13.66603       9.301284  51.04902 9.465327  36.17923 11.47291  14.86979       14.87347  
1 1 1 39 22 2  f 96.57619 3.309219  94.08021       4.517222  97.65395       9.034444  90.50645       9.034444  98.42641 4.589441  94.72597 4.768726  3.700447       6.618438  
1 1 1 39 22 3  o 51.48488 7.068078  28.44706       4.960367  30.65802       9.920734  26.23610       9.920734  53.65504 9.590994  49.31472 10.38478  4.340313       14.13616  
1 1 1 39 22 4  o 94.98117 3.666759  91.43562       4.912717  83.97840       9.825435  98.89285       9.825435  91.05553 5.395297  98.90681 4.967016  -7.851273      7.333518  
1 1 1 39 22 5  o 89.32936 4.011840  81.20516       5.055667  74.72476       10.11133  87.68556       10.11133  85.70211 5.899116  92.95662 5.438738  -7.254509      8.023680  
1 1 1 39 22 6  o 44.89425 7.198394  21.43774       5.274857  3.402211       10.54971  39.47328       10.54971  28.05094 11.58739  61.73755 8.544001  -33.68661      14.39679  
1 1 1 39 22 7  o 85.48967 4.476720  74.58181       5.408277  71.29395       10.81655  77.86966       10.81655  83.56673 6.471807  87.41262 6.187067  -3.845894      8.953441  
1 1 1 39 22 8  o 32.58229 7.449530  -0.5670362     5.794242  -26.56012      11.58848  25.42605       11.58848  17.45752 8.668406  47.70705 12.11778  -30.24953      14.89906  
1 1 1 39 22 9  o 44.70428 9.217111  22.68141       6.227858  19.33638       12.45572  26.02644       12.45572  41.62612 13.28438  47.78245 12.78068  -6.156330      18.43422  
1 1 1 39 22 10 o 63.23421 6.983927  43.29958       6.027727  50.32795       12.05545  36.27120       12.05545  69.22434 8.707526  57.24409 10.92154  11.98026       13.96785  
1 1 1 39 22 11 o 98.99632 5.157319  102.4618       7.171328  115.6657       14.34266  89.25801       14.34266  105.6652 6.786842  92.32748 7.767274  13.33769       10.31464  
1 1 1 39 22 12 o 73.93559 7.311633  61.22074       7.218978  45.67731       14.43796  76.76418       14.43796  62.97974 11.89646  84.89143 8.503777  -21.91169      14.62327  
1 1 1 39 22 13 o 71.86884 8.096607  59.31474       7.976613  51.89087       15.95323  66.73862       15.95323  66.19884 12.50571  77.53884 10.28725  -11.34000      16.19321  
1 1 1 39 23 0  o 30.69952 16.65889  14.45702       14.18065  14.45702       14.18065  14.45702       14.18065  30.69952 16.65889  30.69952 16.65889  0.000000       0.000000  
1 1 1 39 23 1  o 92.97470 3.603301  87.83327       4.698292  100.7512       9.396584  74.91536       9.396584  99.92171 4.701973  86.02770 5.461371  13.89400       7.206603  
1 1 1 39 23 2  o 75.71806 4.196192  58.35698       4.474337  52.26254       8.948673  64.45141       8.948673  71.69363 6.240913  79.74249 5.610982  -8.048851      8.392385  
1 1 1 39 23 3  o 121.9814 3.105370  150.3310       5.346332  161.1810       10.69266  139.4811       10.69266  126.4288 4.228729  117.5341 4.548750  8.894722       6.210739  
1 1 1 39 23 4  o 121.0614 3.252691  148.4155       5.551227  134.9544       11.10245  161.8766       11.10245  115.5018 4.806184  126.6210 4.384128  -11.11927      6.505381  
1 1 1 39 23 5  o 95.86898 3.959729  93.50840       5.351098  84.94093       10.70220  102.0759       10.70220  91.40066 5.854550  100.3373 5.333109  -8.936646      7.919458  
1 1 1 39 23 6  o 170.5794 2.682782  295.3158       6.394632  347.3305       12.78926  243.3010       12.78926  185.8259 3.441195  155.3329 4.116728  30.49298       5.365564  
1 1 1 39 23 7  o 90.46243 4.866715  85.21730       6.061082  107.0887       12.12216  63.34593       12.12216  102.5511 5.910306  78.37378 7.733559  24.17729       9.733430  
1 1 1 39 23 8  o 46.82401 8.505437  24.61600       5.984842  14.02816       11.96968  35.20383       11.96968  37.02554 13.00878  56.62249 10.96091  -19.59695      17.01087  
1 1 1 39 23 9  o 120.0713 3.934241  147.1194       6.680532  146.3904       13.36106  147.8485       13.36106  119.7677 5.577907  120.3749 5.549772  -0.6071701     7.868483  
1 1 1 39 23 10 o 25.02740 8.092036  -9.124979      6.713887  -19.61275      13.42777  1.362790       13.42777  21.05013 10.20472  29.00466 12.56136  -7.954527      16.18407  
1 1 1 39 23 11 o 64.96082 8.315972  50.67580       7.238038  78.36522       14.47608  22.98637       14.47608  85.97596 8.418676  43.94567 14.34390  42.03029       16.63194  
1 1 1 39 23 12 o 59.75050 8.395209  41.67470       6.842543  42.21791       13.68509  41.13150       13.68509  60.21285 11.78414  59.28815 11.96044  0.9246941      16.79042  
1 1 1 39 23 13 o 86.44995 7.551219  86.73257       8.467408  57.75183       16.93482  115.7133       16.93482  69.24342 12.70258  103.6565 8.168721  -34.41305      15.10244  
1 1 1 39 24 0  o 20.85189 13.67015  0.9530004E-02  13.70415  0.9530004E-02  13.70415  0.9530004E-02  13.70415  20.85189 13.67015  20.85189 13.67015  0.000000       0.000000  
1 1 1 39 24 1  o 61.99325 5.434331  39.55905       4.760237  41.40787       9.520474  37.71023       9.520474  63.48440 7.498279  60.50210 7.867887  2.982296       10.86866  
1 1 1 39 24 2  o 27.62919 7.937668  3.783412       4.907952  6.442283       9.815904  1.124540       9.815904  29.55638 11.51924  25.70200 10.92398  3.854378       15.87534  
1 1 1 39 24 3  o 66.28938 5.294021  45.34376       4.931777  39.64482       9.863553  51.04269       9.863553  61.99085 7.955653  70.58791 6.986716  -8.597061      10.58804  
1 1 1 39 24 4  o 59.77431 5.949868  37.13366       4.988957  31.87786       9.977913  42.38946       9.977913  55.37795 9.008924  64.17068 7.774511  -8.792736      11.89974  
1 1 1 39 24 5  o 41.69230 8.647590  19.09813       5.451162  16.76328       10.90232  21.43298       10.90232  39.39127 12.41296  43.99334 12.04332  -4.602074      17.29518  
1 1 1 39 24 6  f 112.1445 3.575498  127.5734       5.660822  136.1075       11.32164  119.0393       11.32164  115.9495 4.882145  108.3396 5.225075  7.609932       7.150996  
1 1 1 39 24 7  o 47.72498 8.899859  25.64047       6.099203  27.12239       12.19841  24.15856       12.19841  49.12516 12.40550  46.32479 12.76455  2.800365       17.79972  
1 1 1 39 24 8  o 93.17369 4.831974  89.59156       6.346982  97.53959       12.69396  81.64355       12.69396  97.43885 6.513811  88.90852 7.138778  8.530327       9.663948  
1 1 1 39 24 9  o 79.44843 5.994415  66.19064       6.732948  68.05376       13.46590  64.32753       13.46590  80.62096 8.351362  78.27590 8.601559  2.345055       11.98883  
1 1 1 39 24 10 o 49.12533 9.770858  28.67578       7.166563  23.25321       14.33313  34.09835       14.33313  44.45820 14.25670  53.79247 13.36508  -9.334267      19.54172  
1 1 1 39 24 11 o 133.2951 3.981392  182.7521       7.504878  180.7556       15.00976  184.7487       15.00976  132.5462 5.662084  134.0440 5.598815  -1.497818      7.962783  
1 1 1 39 24 12 o 30.91460 13.41924  3.497512       15.39096  3.497512       15.39096  ?              ?         30.91460 13.41924  ?        ?         ?              ?         
1 1 1 39 24 13 o 52.22099 14.94218  38.74900       16.40114  38.74900       16.40114  ?              ?         52.22099 14.94218  ?        ?         ?              ?         
1 1 1 39 25 0  o 104.7439 7.024563  112.5017       14.58090  112.5017       14.58090  112.5017       14.58090  104.7439 7.024563  104.7439 7.024563  0.000000       0.000000  
1 1 1 39 25 1  o 89.37000 4.250737  81.58160       5.341567  91.47851       10.68313  71.68469       10.68313  94.90704 5.628210  83.83295 6.371679  11.07408       8.501473  
1 1 1 39 25 2  f 69.27470 5.250738  49.62272       5.084257  58.09490       10.16851  41.15055       10.16851  75.38962 6.743975  63.15979 8.049831  12.22982       10.50148  
1 1 1 39 25 3  o 29.57775 8.392262  5.208148       5.384452  3.087722       10.76890  7.328573       10.76890  28.06623 11.65724  31.08926 12.07597  -3.023033      16.78452  
1 1 1 39 25 4  o 220.4868 2.384227  489.1465       7.428638  467.0655       14.85728  511.2275       14.85728  215.4794 3.447493  225.4941 3.294382  -10.01466      4.768455  
1 1 1 39 25 5  o 73.89870 5.619921  56.52722       5.851423  51.08081       11.70285  61.97361       11.70285  70.21366 8.333738  77.58374 7.542073  -7.370079      11.23984  
1 1 1 39 25 6  o 54.25378 7.321798  32.94999       5.413042  47.87874       10.82608  18.02124       10.82608  68.03827 7.955879  40.46929 12.29386  27.56898       14.64360  
1 1 1 39 25 7  o 55.00642 7.796553  34.21271       5.951487  49.11764       11.90297  19.30779       11.90297  68.48772 8.689861  41.52512 12.94725  26.96259       15.59311  
1 1 1 39 25 8  o 50.83195 9.164021  29.71932       6.609057  29.91468       13.21811  29.52395       13.21811  51.00927 12.93299  50.65462 12.98672  0.3546524      18.32804  
1 1 1 39 25 9  o 64.26317 7.523142  46.60649       6.423223  61.77349       12.84645  31.43948       12.84645  76.49170 8.397281  52.03465 12.48505  24.45705       15.04628  
1 1 1 39 25 10 o 46.26495 9.869612  25.68336       7.118913  31.19170       14.23783  20.17502       14.23783  50.91784 13.68487  41.61205 14.22537  9.305786       19.73922  
1 1 1 39 25 11 o 35.39949 9.322140  9.787314       7.114148  -4.583931      14.22830  24.15856       14.22830  26.49832 12.07672  44.30066 14.20430  -17.80233      18.64428  
1 1 1 39 25 12 o 21.53276 10.52348  -22.71000      15.04788  -22.71000      15.04788  ?              ?         21.53276 10.52348  ?        ?         ?              ?         
1 1 1 39 26 0  o 22.25465 14.47268  1.095950       15.00023  1.095950       15.00023  1.095950       15.00023  22.25465 14.47268  22.25465 14.47268  0.000000       0.000000  
1 1 1 39 26 1  o 44.85917 7.439798  21.80941       5.069962  33.72668       10.13992  9.892144       10.13992  56.97572 8.898461  32.74263 11.92559  24.23309       14.87960  
1 1 1 39 26 2  o 68.33649 5.306684  48.01692       5.127142  49.26059       10.25428  46.77326       10.25428  69.24645 7.404194  67.42654 7.604042  1.819916       10.61337  
1 1 1 39 26 3  o 34.31416 7.976704  7.824133       5.594112  23.50099       11.18822  -7.852723      11.18822  45.95903 12.03141  22.66928 10.47647  23.28975       15.95341  
1 1 1 39 26 4  o 33.80344 8.933091  9.353699       5.965783  3.392681       11.93157  15.31472       11.93157  29.33046 12.23183  38.27642 13.02239  -8.945959      17.86618  
1 1 1 39 26 5  o 72.29604 6.011142  54.34485       6.142087  56.47480       12.28417  52.21489       12.28417  73.76912 8.326096  70.82296 8.672452  2.946159       12.02228  
1 1 1 39 26 6  o 90.72826 4.994921  84.85039       6.408928  85.03622       12.81786  84.66455       12.81786  90.83067 7.055907  90.62584 7.071855  0.2048264      9.989842  
1 1 1 39 26 7  o 58.05814 7.854418  37.24802       6.285037  30.56272       12.57007  43.93332       12.57007  51.83097 12.29561  64.28531 9.776786  -12.45434      15.70884  
1 1 1 39 26 8  o 27.74310 8.502831  -2.763701      6.594762  -13.90427      13.18952  8.376874       13.18952  22.48506 10.71478  33.00113 13.20553  -10.51607      17.00566  
1 1 1 39 26 9  o 38.33820 9.205285  13.05134       6.975962  28.70437       13.95192  -2.601691      13.95192  49.16391 13.69057  27.51248 12.30924  21.65143       18.41057  
1 1 1 39 26 10 o 26.25648 12.21744  -9.005854      15.55297  -9.005854      15.55297  ?              ?         26.25648 12.21744  ?        ?         ?              ?         
1 1 1 39 26 11 o 23.40549 11.20660  -15.19082      14.86681  -15.19082      14.86681  ?              ?         23.40549 11.20660  ?        ?         ?              ?         
1 1 1 39 26 12 o 46.23514 15.40036  30.60084       16.68704  30.60084       16.68704  ?              ?         46.23514 15.40036  ?        ?         ?              ?         
1 1 1 39 27 0  o 20.24006 13.61827  -3.840591      15.19082  -3.840591      15.19082  -3.840591      15.19082  20.24006 13.61827  20.24006 13.61827  0.000000       0.000000  
1 1 1 39 27 1  o 89.78285 4.441499  82.88721       5.570287  68.27295       11.14057  97.50147       11.14057  81.64419 6.822638  97.92152 5.688522  -16.27734      8.882998  
1 1 1 39 27 2  o 37.03170 8.323118  13.55643       5.374923  22.73859       10.74985  4.374272       10.74985  45.22824 11.77170  28.83516 11.76963  16.39308       16.64624  
1 1 1 39 27 3  o 63.74369 6.809058  43.79990       5.818067  54.81658       11.63613  32.78321       11.63613  72.80903 7.990860  54.67835 11.02720  18.13068       13.61812  
1 1 1 39 27 4  o 21.55335 7.211040  -12.80356      5.884778  -8.291104      11.76956  -17.31602      11.76956  23.12940 10.71051  19.97730 9.658225  3.152096       14.42208  
1 1 1 39 27 5  o 92.88473 4.970791  89.52961       6.456578  74.60087       12.91316  104.4584       12.91316  84.84856 7.609531  100.9209 6.397662  -16.07234      9.941582  
1 1 1 39 27 6  o 55.77312 8.090084  36.13778       6.713887  11.48365       13.42777  60.79190       13.42777  35.50993 13.55846  76.03632 8.829842  -40.52640      16.18017  
1 1 1 39 27 7  o 103.7919 4.945862  111.8680       7.214212  125.8151       14.42842  97.92079       14.42842  110.5107 6.528064  97.07314 7.431729  13.43761       9.891725  
1 1 1 39 27 8  o 81.36131 6.137522  71.11289       6.866368  53.02494       13.73274  89.20083       13.73274  70.24550 9.774816  92.47713 7.424936  -22.23163      12.27504  
1 1 1 39 27 9  o 99.23967 5.443404  105.6353       7.380988  135.4214       14.76198  75.84930       14.76198  114.2468 6.460565  84.23255 8.762631  30.01424       10.88681  
1 1 1 39 27 10 o 37.22516 14.11724  15.08600       14.47608  15.08600       14.47608  ?              ?         37.22516 14.11724  ?        ?         ?              ?         
1 1 1 39 27 11 o 32.75643 14.04897  6.356512       16.49644  6.356512       16.49644  ?              ?         32.75643 14.04897  ?        ?         ?              ?         
1 1 1 39 28 0  o 99.53500 8.491568  103.1146       16.66798  103.1146       16.66798  103.1146       16.66798  99.53500 8.491568  99.53500 8.491568  0.000000       0.000000  
1 1 1 39 28 1  o 41.51247 8.385805  18.30238       5.727532  6.766303       11.45506  29.83844       11.45506  31.10208 12.35339  51.92286 11.34375  -20.82079      16.77161  
1 1 1 39 28 2  o 100.4634 4.091420  102.9479       5.803772  96.39599       11.60754  109.4997       11.60754  97.20254 5.970804  103.7242 5.595389  -6.521660      8.182840  
1 1 1 39 28 3  o 65.56207 6.264040  45.21987       5.760887  51.54779       11.52177  38.89194       11.52177  70.38798 8.184477  60.73617 9.485102  9.651806       12.52808  
1 1 1 39 28 4  o 31.81578 8.729985  4.965132       6.261212  -6.451812      12.52242  16.38207       12.52242  24.64268 11.26368  38.98887 13.34092  -14.34619      17.45997  
1 1 1 39 28 5  o 52.53152 8.405438  31.40613       6.685298  13.33247       13.37060  49.47978       13.37060  36.84809 13.65866  68.21495 9.800342  -31.36686      16.81088  
1 1 1 39 28 6  o 134.0825 3.836948  183.5860       7.271393  190.7049       14.54279  176.4671       14.54279  136.7372 5.317788  131.4278 5.532613  5.309357       7.673896  
1 1 1 39 28 7  o 121.4051 4.343772  151.9511       7.442933  162.7534       14.88587  141.1489       14.88587  125.8540 5.913943  116.9563 6.363858  8.897690       8.687544  
1 1 1 39 28 8  o 34.50809 9.702325  7.867019       7.619238  -3.240201      15.23848  18.97424       15.23848  28.21003 12.73238  40.80616 14.64332  -12.59613      19.40465  
1 1 1 39 28 9  o 61.22854 9.314566  44.95779       7.843193  38.81571       15.68639  51.09988       15.68639  56.27905 13.98111  66.17802 12.31151  -9.898975      18.62913  
1 1 1 39 28 10 o 33.49466 13.77855  8.996324       14.84775  8.996324       14.84775  ?              ?         33.49466 13.77855  ?        ?         ?              ?         
1 1 1 39 28 11 o 35.97103 14.58506  16.01041       16.39161  16.01041       16.39161  ?              ?         35.97103 14.58506  ?        ?         ?              ?         
1 1 1 39 29 0  o 68.57603 15.33274  56.15079       18.33573  56.15079       18.33573  56.15079       18.33573  68.57603 15.33274  68.57603 15.33274  0.000000       0.000000  
1 1 1 39 29 1  o 38.96207 9.345061  16.37731       6.156383  17.69722       12.31277  15.05741       12.31277  40.09774 13.22877  37.82640 13.20304  2.271343       18.69012  
1 1 1 39 29 2  o 41.70751 8.782127  19.34591       5.789477  12.58914       11.57895  26.10268       11.57895  35.44513 12.76003  47.96988 12.06999  -12.52475      17.56425  
1 1 1 39 29 3  o 99.52569 4.284698  101.6804       6.008667  91.88830       12.01733  111.4725       12.01733  94.60632 6.351233  104.4451 5.752946  -9.838730      8.569395  
1 1 1 39 29 4  o 85.76277 5.637283  78.71783       6.513757  105.0874       13.02751  52.34831       13.02751  101.1363 6.440573  70.38924 9.253911  30.74706       11.27457  
1 1 1 39 29 5  o 95.04056 5.135586  94.14215       6.861602  105.5257       13.72320  82.75856       13.72320  101.0294 6.791692  89.05175 7.705186  11.97761       10.27117  
1 1 1 39 29 6  f 31.71990 9.003864  4.950837       6.647178  -5.089022      13.29436  14.99070       13.29436  25.79185 11.73297  37.64795 13.66074  -11.85610      18.00773  
1 1 1 39 29 7  o 29.82586 9.038309  -0.6480400     7.319043  11.27399       14.63809  -12.57007      14.63809  35.37990 13.99229  24.27182 11.44465  11.10808       18.07662  
1 1 1 39 29 8  o 28.09563 12.62124  -2.363441      14.80010  -2.363441      14.80010  ?              ?         28.09563 12.62124  ?        ?         ?              ?         
1 1 1 39 29 9  o 41.42754 14.71490  20.81353       15.35284  20.81353       15.35284  ?              ?         41.42754 14.71490  ?        ?         ?              ?         
1 1 1 39 29 10 o 40.45789 15.36048  20.57528       17.15401  20.57528       17.15401  ?              ?         40.45789 15.36048  ?        ?         ?              ?         
1 1 1 39 30 0  o 57.93213 16.75180  43.29480       16.82046  43.29480       16.82046  43.29480       16.82046  57.93213 16.75180  57.93213 16.75180  0.000000       0.000000  
1 1 1 39 30 1  o 32.34562 8.762929  7.328573       5.984842  15.46720       11.96968  -0.8100503     11.96968  38.00541 13.04145  26.68584 11.70796  11.31957       17.52586  
1 1 1 39 30 2  o 66.26064 6.529629  46.39682       6.118262  47.00198       12.23652  45.79167       12.23652  66.71728 9.170432  65.80399 9.297709  0.9132919      13.05926  
1 1 1 39 30 3  o 61.46156 8.064422  42.21791       6.747242  42.03685       13.49448  42.39899       13.49448  61.31370 11.43013  61.60943 11.37944  -0.2957268     16.12884  
1 1 1 39 30 4  o 89.64688 4.968985  83.52094       6.294568  87.25671       12.58914  79.78519       12.58914  91.73048 6.862025  87.56328 7.188593  4.167198       9.937970  
1 1 1 39 30 5  o 25.59876 8.263068  -5.894307      6.685298  -2.973361      13.37060  -8.815253      13.37060  26.79963 12.01865  24.39789 11.34307  2.401747       16.52614  
1 1 1 39 30 6  o 75.38794 6.453524  60.98249       6.866368  65.17570       13.73274  56.78930       13.73274  78.16902 8.784001  72.60686 9.456914  5.562164       12.90705  
1 1 1 39 30 7  o 28.29999 9.001484  -2.592161      7.557293  -1.772581      15.11459  -3.411741      15.11459  28.64507 12.81402  27.95491 12.64546  0.6901569      18.00297  
1 1 1 39 30 8  o 51.74334 14.99845  34.36520       16.42020  34.36520       16.42020  ?              ?         51.74334 14.99845  ?        ?         ?              ?         
1 1 1 39 30 9  o 44.05543 15.62564  24.99720       17.30649  24.99720       17.30649  ?              ?         44.05543 15.62564  ?        ?         ?              ?         
1 1 1 39 31 0  o 48.71432 19.50831  36.15683       18.36432  36.15683       18.36432  36.15683       18.36432  48.71432 19.50831  48.71432 19.50831  0.000000       0.000000  
1 1 1 39 31 1  o 90.83235 5.297186  86.11312       6.804423  85.48414       13.60885  86.74210       13.60885  90.48611 7.519853  91.17858 7.462743  -0.6924667     10.59437  
1 1 1 39 31 2  o 29.12511 8.852162  2.139486       6.580468  0.7719304      13.16094  3.507041       13.16094  28.38927 12.36716  29.86094 12.66873  -1.471676      17.70432  
1 1 1 39 31 3  o 36.16527 9.352427  12.77497       6.461343  6.556643       12.92269  18.99330       12.92269  31.52397 12.89196  40.80658 13.55245  -9.282610      18.70485  
1 1 1 39 31 4  o 92.62396 5.882945  91.43085       7.562057  72.20884       15.12411  110.6529       15.12411  82.24759 9.194261  103.0003 7.341780  -20.75275      11.76589  
1 1 1 39 31 5  o 65.19618 8.525490  49.43213       7.542998  63.78432       15.08600  35.07994       15.08600  76.62261 9.844350  53.76975 13.92209  22.85286       17.05098  
1 1 1 39 31 6  o 103.1208 5.300110  111.9156       7.714538  119.5348       15.42908  104.2964       15.42908  106.8151 7.222326  99.42648 7.759037  7.388657       10.60022  
1 1 1 39 31 7  o 48.43388 14.46684  29.63831       15.07647  29.63831       15.07647  ?              ?         48.43388 14.46684  ?        ?         ?              ?         
1 1 1 39 31 8  o 41.09169 15.51809  20.20361       17.43038  20.20361       17.43038  ?              ?         41.09169 15.51809  ?        ?         ?              ?         
1 1 1 39 32 0  o 17.11319 12.37374  -26.58871      19.49839  -26.58871      19.49839  -26.58871      19.49839  17.11319 12.37374  17.11319 12.37374  0.000000       0.000000  
1 1 1 39 32 1  o 107.8462 4.783640  120.5450       7.295218  118.7248       14.59044  122.3653       14.59044  107.0023 6.817816  108.6901 6.711946  -1.687790      9.567280  
1 1 1 39 32 2  o 32.40646 9.059979  3.802471       7.033143  -11.15010      14.06629  18.75505       14.06629  24.19860 11.35840  40.61433 14.11806  -16.41574      18.11996  
1 1 1 39 32 3  o 26.41391 8.426324  -9.296518      7.223743  -24.64459      14.44749  6.051552       14.44749  20.78376 10.19679  32.04406 13.41780  -11.26029      16.85265  
1 1 1 39 32 4  o 66.70775 8.236733  51.92423       7.309513  70.90323       14.61903  32.94522       14.61903  81.29759 8.991057  52.11790 13.80348  29.17969       16.47347  
1 1 1 39 32 5  o 28.59431 12.85497  -2.144251      15.38142  -2.144251      15.38142  ?              ?         28.59431 12.85497  ?        ?         ?              ?         
1 1 1 39 32 6  o 71.67682 7.864997  58.73341       7.695479  67.60585       15.39096  49.86098       15.39096  78.35458 9.821350  64.99906 12.28714  13.35552       15.72999  
1 1 1 39 32 7  o 132.4153 4.578385  183.2429       8.572238  179.5739       17.14448  186.9120       17.14448  131.0299 6.542201  133.8008 6.406719  -2.770874      9.156770  
1 1 1 39 33 0  o 144.0569 7.427979  214.2726       21.28050  214.2726       21.28050  214.2726       21.28050  144.0569 7.427979  144.0569 7.427979  0.000000       0.000000  
1 1 1 39 33 1  o 70.67842 7.556604  55.12154       7.542998  52.12912       15.08600  58.11396       15.08600  68.56149 11.00180  72.79535 10.36192  -4.233856      15.11321  
1 1 1 39 33 2  f 33.49741 9.746975  7.666889       7.542998  2.611221       15.08600  12.72255       15.08600  30.65208 13.29516  36.34274 14.25667  -5.690662      19.49395  
1 1 1 39 33 3  o 43.21479 10.27935  22.56705       7.442933  24.18715       14.88587  20.94695       14.88587  44.48890 14.54551  41.94067 14.52887  2.548229       20.55869  
1 1 1 39 33 4  o 69.13219 7.608238  53.49668       7.438168  53.93029       14.87634  53.06306       14.87634  69.44580 10.71075  68.81857 10.80837  0.6272278      15.21648  
1 1 1 39 33 5  o 22.97587 11.16248  -21.71888      16.22007  -21.71888      16.22007  ?              ?         22.97587 11.16248  ?        ?         ?              ?         
1 1 1 39 33 6  o 22.17751 10.85585  -24.69224      16.18195  -24.69224      16.18195  ?              ?         22.17751 10.85585  ?        ?         ?              ?         
1 1 1 39 34 1  o 166.0471 3.532445  283.2174       8.276809  262.0656       16.55362  304.3693       16.55362  159.6778 5.183442  172.4163 4.800478  -12.73848      7.064890  
1 1 1 39 34 2  o 73.59039 7.731151  61.96408       7.652593  75.74446       15.30519  48.18370       15.30519  83.42902 9.172580  63.75176 12.44775  19.67726       15.46230  
1 1 1 39 34 3  o 79.53708 7.375725  70.56492       8.257749  77.62188       16.51550  63.50795       16.51550  83.97335 9.833773  75.10080 10.99555  8.872551       14.75145  
1 1 1 39 34 4  o 87.86742 6.707268  84.82180       8.267279  73.46680       16.53456  96.17680       16.53456  81.40598 10.15562  94.32886 8.764316  -12.92287      13.41454  
1 1 1 39 34 5  o 68.97453 9.220693  60.06285       8.643713  86.69445       17.28743  33.43126       17.28743  88.17303 9.803126  49.77603 15.61997  38.39700       18.44139  
1 1 1 39 35 1  o 63.93346 8.988449  51.14753       8.191037  22.50034       16.38207  79.79472       16.38207  42.61632 15.19380  85.25060 9.608188  -42.63428      17.97690  
1 1 1 39 35 2  o 106.7566 5.840328  125.2195       8.419759  85.34119       16.83952  165.0978       16.83952  88.07938 9.559284  125.4338 6.712512  -37.35440      11.68066  
1 1 1 39 35 3  o 57.47771 14.31995  42.43710       16.42020  42.43710       16.42020  ?              ?         57.47771 14.31995  ?        ?         ?              ?         
1 1 1 39 36 1  o 42.47493 14.91146  25.51182       15.72451  25.51182       15.72451  ?              ?         42.47493 14.91146  ?        ?         ?              ?         
1 1 1 39 36 2  o 64.82808 9.172029  55.86488       8.214863  40.87419       16.42973  70.85558       16.42973  52.97313 14.89098  76.68303 10.71275  -23.70990      18.34406  
1 1 1 40 0  0  o 119.2735 6.171340  143.6553       14.63809  143.6553       14.63809  143.6553       14.63809  119.2735 6.171340  119.2735 6.171340  0.000000       0.000000  
1 1 1 40 0  1  o 116.4652 4.263380  136.4220       9.901674  136.4220       9.901674  136.4220       9.901674  116.4652 4.263380  116.4652 4.263380  0.000000       0.000000  
1 1 1 40 0  2  o 62.50447 7.118589  40.75983       8.700893  40.75983       8.700893  40.75983       8.700893  62.50447 7.118589  62.50447 7.118589  0.000000       0.000000  
1 1 1 40 0  3  o 19.07159 11.34002  4.240851       7.404812  4.240851       7.404812  4.240851       7.404812  19.07159 11.34002  19.07159 11.34002  0.000000       0.000000  
1 1 1 40 0  4  o 278.3254 4.272044  776.6858       23.76783  776.6858       23.76783  776.6858       23.76783  278.3254 4.272044  278.3254 4.272044  0.000000       0.000000  
1 1 1 40 0  5  o 91.31384 6.979193  85.28400       12.59866  85.28400       12.59866  85.28400       12.59866  91.31384 6.979193  91.31384 6.979193  0.000000       0.000000  
1 1 1 40 0  6  o 34.93423 16.46521  18.52633       12.87504  18.52633       12.87504  18.52633       12.87504  34.93423 16.46521  34.93423 16.46521  0.000000       0.000000  
1 1 1 40 0  7  o 16.60643 11.53397  -8.453114      12.55101  -8.453114      12.55101  -8.453114      12.55101  16.60643 11.53397  16.60643 11.53397  0.000000       0.000000  
1 1 1 40 0  8  o 51.02304 17.60699  35.02277       16.15335  35.02277       16.15335  35.02277       16.15335  51.02304 17.60699  51.02304 17.60699  0.000000       0.000000  
1 1 1 40 0  9  o 135.4285 7.554180  187.0073       20.32750  187.0073       20.32750  187.0073       20.32750  135.4285 7.554180  135.4285 7.554180  0.000000       0.000000  
1 1 1 40 0  10 o 79.20734 9.978922  66.82439       15.40049  66.82439       15.40049  66.82439       15.40049  79.20734 9.978922  79.20734 9.978922  0.000000       0.000000  
1 1 1 40 0  11 o 116.2909 10.85435  142.6165       24.83519  142.6165       24.83519  142.6165       24.83519  116.2909 10.85435  116.2909 10.85435  0.000000       0.000000  
1 1 1 40 0  12 o 26.08731 16.52126  5.270092       18.08795  5.270092       18.08795  5.270092       18.08795  26.08731 16.52126  26.08731 16.52126  0.000000       0.000000  
1 1 1 40 0  13 o 176.4903 5.424515  314.9952       19.10766  314.9952       19.10766  314.9952       19.10766  176.4903 5.424515  176.4903 5.424515  0.000000       0.000000  
1 1 1 40 0  14 o 66.57470 18.83047  57.66605       21.69029  57.66605       21.69029  57.66605       21.69029  66.57470 18.83047  66.57470 18.83047  0.000000       0.000000  
1 1 1 40 0  15 o 20.06274 14.27798  -20.95648      22.67188  -20.95648      22.67188  -20.95648      22.67188  20.06274 14.27798  20.06274 14.27798  0.000000       0.000000  
1 1 1 40 1  0  o 34.70960 13.11971  16.46785       8.500763  16.46785       8.500763  16.46785       8.500763  34.70960 13.11971  34.70960 13.11971  0.000000       0.000000  
1 1 1 40 1  1  o 81.45569 2.713765  66.54325       3.125841  65.48065       6.251682  67.60585       6.251682  80.80343 3.868452  82.10794 3.806990  -1.304512      5.427531  
1 1 1 40 1  2  o 120.7515 1.950457  146.0330       3.330736  145.3421       6.661473  146.7239       6.661473  120.4654 2.764891  121.0376 2.751820  -0.5721893     3.900915  
1 1 1 40 1  3  o 108.8917 2.082963  118.8106       3.206846  121.9364       6.413693  115.6847       6.413693  110.3270 2.906674  107.4564 2.984323  2.870590       4.165926  
1 1 1 40 1  4  o 86.03834 3.407237  74.39120       4.145552  75.34421       8.291104  73.43821       8.291104  86.59216 4.787445  85.48451 4.849477  1.107651       6.814474  
1 1 1 40 1  5  o 119.7791 2.758184  144.1127       4.664937  134.8877       9.329873  153.3378       9.329873  115.9282 4.023987  123.6299 3.773307  -7.701706      5.516368  
1 1 1 40 1  6  f 25.59555 7.462197  0.1477149      4.688762  7.242803       9.377523  -6.947372      9.377523  30.27545 11.39544  20.91565 9.637508  9.359798       14.92439  
1 1 1 40 1  7  o 54.59174 6.447299  32.17805       4.645877  19.77476       9.291754  44.58136       9.291754  42.89977 10.82329  66.28371 7.009079  -23.38394      12.89460  
1 1 1 40 1  8  f 148.3553 2.682794  221.4582       5.617938  237.1541       11.23588  205.7623       11.23588  153.6452 3.656434  143.0653 3.926834  10.57994       5.365588  
1 1 1 40 1  9  o 121.6315 3.853077  149.8927       6.604293  135.4976       13.20859  164.2878       13.20859  115.7140 5.707426  127.5490 5.177847  -11.83498      7.706154  
1 1 1 40 1  10 o 83.52773 5.115630  71.32255       6.022963  64.77544       12.04593  77.86966       12.04593  79.60860 7.565718  87.44686 6.887569  -7.838257      10.23126  
1 1 1 40 1  11 o 85.72527 6.501606  76.61647       7.881313  77.85060       15.76263  75.38232       15.76263  86.44509 9.117132  85.00545 9.271539  1.439644       13.00321  
1 1 1 40 1  12 o 114.9461 4.811513  135.7692       7.766953  117.7241       15.53391  153.8143       15.53391  107.0967 7.252280  122.7954 6.325115  -15.69873      9.623027  
1 1 1 40 1  13 o 68.13214 9.442400  53.76828       8.853374  76.77370       17.70675  30.76285       17.70675  85.00143 10.41556  51.26286 15.75283  33.73856       18.88480  
1 1 1 40 1  14 f 59.01739 9.617111  40.45486       9.167863  11.39789       18.33573  69.51185       18.33573  38.12057 15.43844  79.91420 11.47213  -41.79363      19.23422  
1 1 1 40 1  15 o 33.56988 14.94774  0.2477801      20.35609  0.2477801      20.35609  ?              ?         33.56988 14.94774  ?        ?         ?              ?         
1 1 1 40 1  16 o 59.62897 15.21152  45.62013       18.20231  45.62013       18.20231  ?              ?         59.62897 15.21152  ?        ?         ?              ?         
1 1 1 40 2  0  o 118.4220 4.208384  141.0059       9.939795  141.0059       9.939795  141.0059       9.939795  118.4220 4.208384  118.4220 4.208384  0.000000       0.000000  
1 1 1 40 2  1  o 25.84893 6.274209  6.151618       2.787526  7.366693       5.575052  4.936542       5.575052  27.37042 8.901558  24.32744 8.844493  3.042986       12.54842  
1 1 1 40 2  2  o 113.7063 2.050900  129.8987       3.283086  144.0841       6.566173  115.7133       6.566173  119.9440 2.737182  107.4685 3.054929  12.47549       4.101799  
1 1 1 40 2  3  o 105.4808 2.152076  112.5493       3.163961  90.65893       6.327922  134.4398       6.327922  95.10426 3.326834  115.8573 2.730913  -20.75301      4.304151  
1 1 1 40 2  4  o 92.16964 3.202151  85.63660       4.150317  96.08150       8.300633  75.19173       8.300633  97.83576 4.242126  86.50352 4.797859  11.33224       6.404302  
1 1 1 40 2  5  o 235.9049 2.234586  557.9150       7.452463  541.0755       14.90493  574.7545       14.90493  232.3357 3.207627  239.4740 3.112013  -7.138260      4.469172  
1 1 1 40 2  6  o 143.9720 2.547152  208.7262       5.160498  184.8821       10.32100  232.5702       10.32100  135.6912 3.803119  152.2528 3.389427  -16.56160      5.094304  
1 1 1 40 2  7  f 146.2472 2.498378  215.1255       5.150967  234.7526       10.30193  195.4985       10.30193  152.9574 3.367582  139.5370 3.691470  13.42044       4.996755  
1 1 1 40 2  8  o 102.8371 3.531872  106.7932       5.127142  114.1790       10.25428  99.40748       10.25428  106.4281 4.817470  99.24612 5.166088  7.181984       7.063745  
1 1 1 40 2  9  o 75.14011 4.970476  57.50404       5.279623  55.61710       10.55925  59.39098       10.55925  73.88448 7.145779  76.39572 6.910888  -2.511238      9.940952  
1 1 1 40 2  10 o 37.71938 8.855788  14.61903       5.517872  14.57137       11.03574  14.66668       11.03574  37.67491 12.52397  37.76384 12.52398  -0.8893204E-01 17.71158  
1 1 1 40 2  11 o 83.23611 5.273720  72.69964       5.994372  51.57638       11.98874  93.82288       11.98874  70.54735 8.496949  95.92487 6.249029  -25.37752      10.54744  
1 1 1 40 2  12 o 56.12294 9.804524  35.88046       7.819368  28.68531       15.63874  43.07561       15.63874  50.18209 14.66674  62.06380 13.01543  -11.88171      19.60905  
1 1 1 40 2  13 o 44.57929 9.148555  18.17372       7.771719  42.23698       15.54344  -5.889543      15.54344  61.03845 13.10976  28.12012 12.76395  32.91833       18.29711  
1 1 1 40 2  14 o 119.1187 5.326923  148.0248       8.901024  168.9098       17.80205  127.1398       17.80205  127.8852 6.960167  110.3523 8.066010  17.53294       10.65385  
1 1 1 40 2  15 o 56.14308 16.92694  40.74077       20.57528  40.74077       20.57528  ?              ?         56.14308 16.92694  ?        ?         ?              ?         
1 1 1 40 3  0  o 49.13553 10.18646  27.19863       8.834313  27.19863       8.834313  27.19863       8.834313  49.13553 10.18646  49.13553 10.18646  0.000000       0.000000  
1 1 1 40 3  1  o 187.7280 1.854214  352.9199       4.922247  347.3687       9.844495  358.4711       9.844495  186.2495 2.642825  189.2065 2.601521  -2.957047      3.708428  
1 1 1 40 3  2  f 186.2792 1.859538  347.5069       4.898422  342.9467       9.796844  352.0670       9.796844  185.0552 2.647006  187.5032 2.612447  -2.447998      3.719075  
1 1 1 40 3  3  o 24.61213 5.439313  3.602341       2.706521  11.93157       5.413042  -4.726882      5.413042  33.64190 8.124847  15.58235 7.234042  18.05956       10.87863  
1 1 1 40 3  4  o 88.39339 2.925466  78.71783       3.635697  68.95911       7.271393  88.47656       7.271393  82.87334 4.387053  93.91344 3.871327  -11.04011      5.850932  
1 1 1 40 3  5  o 50.07816 6.285692  25.94067       4.359977  24.91143       8.719954  26.96991       8.719954  48.65547 9.293509  51.50084 8.465836  -2.845371      12.57138  
1 1 1 40 3  6  o 151.6795 2.623441  230.9882       5.627467  231.3027       11.25493  230.6738       11.25493  151.7832 3.707570  151.5758 3.712641  0.2073517      5.246882  
1 1 1 40 3  7  o 220.9063 2.641727  490.0281       8.252983  489.8613       16.50597  490.1948       16.50597  220.8685 3.736604  220.9440 3.735328  -0.7548523E-01 5.283454  
1 1 1 40 3  8  o 99.17229 3.670377  99.41225       5.136672  106.8599       10.27334  91.96453       10.27334  102.9272 4.990587  95.41736 5.383373  7.509857       7.340754  
1 1 1 40 3  9  o 172.3288 2.702082  298.5845       6.585233  299.0134       13.17047  298.1557       13.17047  172.4532 3.818562  172.2044 3.824080  0.2488556      5.404165  
1 1 1 40 3  10 o 30.32161 7.944190  5.365392       5.050902  -3.850122      10.10180  14.58090       10.10180  23.30781 10.44985  37.33541 11.96834  -14.02760      15.88838  
1 1 1 40 3  11 o 58.24001 7.377470  38.47263       5.713237  58.44751       11.42647  18.49774       11.42647  75.37128 7.580125  41.10873 12.65899  34.26255       14.75494  
1 1 1 40 3  12 o 69.34909 7.509482  51.66691       7.118913  44.00003       14.23783  59.33381       14.23783  63.35448 11.67448  75.34370 9.448584  -11.98922      15.01896  
1 1 1 40 3  13 o 36.98329 9.562578  13.38966       6.532818  12.47478       13.06564  14.30454       13.06564  36.28145 13.49134  37.68512 13.55564  -1.403671      19.12516  
1 1 1 40 3  14 o 44.57656 11.41142  20.09401       9.935029  34.24130       19.87006  5.946723       19.87006  52.88593 16.76858  36.26720 15.48216  16.61872       22.82285  
1 1 1 40 3  15 o 32.06787 14.20272  0.5527402      18.08795  0.5527402      18.08795  ?              ?         32.06787 14.20272  ?        ?         ?              ?         
1 1 1 40 3  16 o 56.71068 16.35565  42.84690       19.57463  42.84690       19.57463  ?              ?         56.71068 16.35565  ?        ?         ?              ?         
1 1 1 40 4  0  o 136.0190 3.853331  185.7303       10.46395  185.7303       10.46395  185.7303       10.46395  136.0190 3.853331  136.0190 3.853331  0.000000       0.000000  
1 1 1 40 4  1  o 248.4552 1.966444  618.2780       6.909253  623.9197       13.81851  612.6363       13.81851  249.5906 2.768235  247.3198 2.793651  2.270752       3.932888  
1 1 1 40 4  2  o 152.2425 1.767360  232.1890       3.802472  242.3003       7.604944  222.0777       7.604944  155.5633 2.444324  148.9217 2.553336  6.641586       3.534720  
1 1 1 40 4  3  o 86.11538 2.610487  74.38645       3.178256  76.46876       6.356512  72.30415       6.356512  87.32440 3.639597  84.90636 3.743249  2.418045       5.220974  
1 1 1 40 4  4  o 52.85309 4.235033  28.15639       3.163961  27.15098       6.327922  29.16181       6.327922  51.90194 6.096036  53.80423 5.880507  -1.902287      8.470066  
1 1 1 40 4  5  o 256.9890 2.579360  662.6402       9.372760  676.7160       18.74552  648.5644       18.74552  259.7275 3.608689  254.2504 3.686429  5.477188       5.158720  
1 1 1 40 4  6  o 133.7323 2.738693  179.6406       5.179556  180.2600       10.35911  179.0211       10.35911  133.9639 3.866383  133.5007 3.879799  0.4631958      5.477386  
1 1 1 40 4  7  o 101.7233 3.640275  105.9069       5.112847  79.78519       10.22569  132.0287       10.22569  88.88374 5.752287  114.5629 4.462915  -25.67921      7.280551  
1 1 1 40 4  8  o 73.15114 5.940958  54.95953       6.123027  60.30586       12.24605  49.61320       12.24605  76.80544 7.972127  69.49683 8.810513  7.308617       11.88192  
1 1 1 40 4  9  o 165.5659 2.822836  275.9032       6.604293  288.5209       13.20859  263.2854       13.20859  169.3763 3.899183  161.7554 4.082890  7.620972       5.645672  
1 1 1 40 4  10 o 42.22126 9.074013  19.26490       5.899073  20.53716       11.79815  17.99265       11.79815  43.42372 12.75441  41.01880 12.91030  2.404922       18.14803  
1 1 1 40 4  11 f 44.47477 8.882614  21.99525       5.832363  21.46157       11.66473  22.52893       11.66473  43.96012 12.60869  44.98943 12.51496  -1.029305      17.76523  
1 1 1 40 4  12 o 142.1805 3.599698  204.8284       7.238038  204.9904       14.47608  204.6664       14.47608  142.2374 5.088701  142.1235 5.092781  0.1139221      7.199396  
1 1 1 40 4  13 o 57.93356 10.52278  39.38750       8.681833  41.46505       17.36367  37.30996       17.36367  59.57885 14.65393  56.28828 15.10557  3.290565       21.04556  
1 1 1 40 4  14 o 47.15704 9.554483  25.24022       7.361928  11.05480       14.72386  39.42563       14.72386  35.80045 14.07280  58.51363 12.92706  -22.71318      19.10897  
1 1 1 40 4  15 o 61.65919 9.335582  45.01497       8.086207  33.84104       16.17241  56.18890       16.17241  52.31173 14.79618  71.00667 11.38796  -18.69494      18.67116  
1 1 1 40 4  16 o 98.58583 6.922739  107.1315       9.601479  95.66219       19.20296  118.6009       19.20296  92.76889 10.34989  104.4028 9.196575  -11.63388      13.84548  
1 1 1 40 5  0  o 55.96516 8.844542  33.28830       9.310814  33.28830       9.310814  33.28830       9.310814  55.96516 8.844542  55.96516 8.844542  0.000000       0.000000  
1 1 1 40 5  1  o 73.69366 3.252284  55.78387       3.273556  72.29460       6.547113  39.27314       6.547113  84.89594 3.855963  62.49139 5.238411  22.40455       6.504568  
1 1 1 40 5  2  f 216.5076 1.847694  470.5535       5.636997  424.5331       11.27399  516.5739       11.27399  205.8797 2.738005  227.1355 2.481778  -21.25578      3.695388  
1 1 1 40 5  3  o 154.9968 1.846131  241.3855       4.026426  213.5960       8.052853  269.1750       8.052853  146.0322 2.757218  163.9613 2.455717  -17.92908      3.692262  
1 1 1 40 5  4  o 160.2677 2.190940  257.4149       4.965132  262.3801       9.930264  252.4498       9.930264  161.8168 3.068367  158.7187 3.128258  3.098022       4.381880  
1 1 1 40 5  5  o 97.14011 3.462009  95.19043       4.736412  105.0874       9.472824  85.29353       9.472824  102.2343 4.632901  92.04597 5.145703  10.18828       6.924018  
1 1 1 40 5  6  o 89.25533 3.637820  80.66195       4.560107  69.82634       9.120214  91.49757       9.120214  83.18531 5.481865  95.32533 4.783731  -12.14002      7.275639  
1 1 1 40 5  7  o 165.5856 2.560113  275.2980       5.994372  280.2393       11.98874  270.3567       11.98874  167.0776 3.587777  164.0935 3.653023  2.984146       5.120226  
1 1 1 40 5  8  o 33.40254 9.019955  7.609708       6.194502  14.21877       12.38900  1.000650       12.38900  38.07080 13.24811  28.73428 12.24442  9.336523       18.03991  
1 1 1 40 5  9  o 49.76280 7.394699  26.93655       5.184323  15.81981       10.36865  38.05330       10.36865  38.66796 12.08954  60.85765 8.518769  -22.18969      14.78940  
1 1 1 40 5  10 o 33.80949 9.364322  7.180858       6.756773  0.5527402      13.51355  13.80897       13.51355  29.49385 12.68481  38.12513 13.77889  -8.631279      18.72864  
1 1 1 40 5  11 o 57.93082 7.839199  36.49515       6.251682  43.92379       12.50336  29.06651       12.50336  64.79881 9.647837  51.06283 12.35845  13.73598       15.67840  
1 1 1 40 5  12 o 50.77865 7.886981  28.55666       5.541698  34.70827       11.08340  22.40504       11.08340  56.68227 10.14338  44.87502 12.08013  11.80725       15.77396  
1 1 1 40 5  13 o 119.5526 5.893104  149.0540       9.963620  148.7348       19.92724  149.3733       19.92724  119.4190 8.343410  119.6861 8.324794  -0.2670441     11.78621  
1 1 1 40 5  14 o 40.61439 10.32349  12.91792       8.853374  -6.975962      17.70675  32.81180       17.70675  29.30627 13.39470  51.92250 15.71241  -22.61624      20.64699  
1 1 1 40 5  15 o 81.99715 9.785436  80.07585       10.83561  97.98750       21.67123  62.16421       21.67123  93.52811 11.58541  70.46619 15.77331  23.06193       19.57087  
1 1 1 40 5  16 o 26.51502 12.44689  -10.93091      16.90623  -10.93091      16.90623  ?              ?         26.51502 12.44689  ?        ?         ?              ?         
1 1 1 40 6  0  o 41.96707 12.13242  21.69982       8.824783  21.69982       8.824783  21.69982       8.824783  41.96707 12.13242  41.96707 12.13242  0.000000       0.000000  
1 1 1 40 6  1  o 124.1017 2.062240  155.0389       3.592812  133.4677       7.185624  176.6100       7.185624  115.4108 3.113064  132.7926 2.705580  -17.38184      4.124479  
1 1 1 40 6  2  o 292.2391 2.080921  856.1852       8.591299  811.2892       17.18260  901.0810       17.18260  284.5577 3.019176  299.9204 2.864526  -15.36267      4.161843  
1 1 1 40 6  3  o 151.1367 1.996009  228.8630       4.264677  236.0487       8.529353  221.6774       8.529353  153.5139 2.778040  148.7595 2.866827  4.754379       3.992018  
1 1 1 40 6  4  o 248.2372 1.973539  617.2917       6.928313  617.6490       13.85663  616.9343       13.85663  248.3092 2.790196  248.1652 2.791815  0.1439667      3.947078  
1 1 1 40 6  5  o 168.4833 2.372405  284.9280       5.646527  269.5276       11.29305  300.3285       11.29305  163.9130 3.444832  173.0537 3.262877  -9.140656      4.744811  
1 1 1 40 6  6  o 118.1896 2.987759  140.4484       4.993722  139.0904       9.987444  141.8065       9.987444  117.6151 4.245818  118.7641 4.204741  -1.149025      5.975518  
1 1 1 40 6  7  o 75.31774 4.464522  57.47069       4.750707  54.55927       9.501413  60.38210       9.501413  73.38499 6.473677  77.25050 6.149743  -3.865509      8.929044  
1 1 1 40 6  8  o 124.2821 3.110414  155.5392       5.465457  159.6466       10.93091  151.4318       10.93091  125.9345 4.339919  122.6296 4.456882  3.304932       6.220828  
1 1 1 40 6  9  o 138.8997 3.239704  194.5169       6.361277  200.8829       12.72255  188.1509       12.72255  141.1913 4.505432  136.6081 4.656589  4.583191       6.479408  
1 1 1 40 6  10 o 123.5855 4.172095  155.0341       7.290452  158.4649       14.58090  151.6033       14.58090  124.9735 5.833598  122.1975 5.966124  2.776054       8.344190  
1 1 1 40 6  11 o 91.60072 4.461318  85.57943       5.775182  89.24848       11.55036  81.91039       11.55036  93.60347 6.169838  89.59798 6.445661  4.005486       8.922636  
1 1 1 40 6  12 o 59.64580 9.028001  39.69247       7.562057  29.40006       15.12411  49.98487       15.12411  50.73104 14.29559  68.56055 11.02975  -17.82951      18.05600  
1 1 1 40 6  13 o 38.89139 8.950004  14.04246       6.528053  28.18975       13.05611  -0.1048300     13.05611  49.58604 13.00443  28.19674 12.30020  21.38931       17.90001  
1 1 1 40 6  14 o 33.75756 14.48376  4.450512       17.54474  4.450512       17.54474  ?              ?         33.75756 14.48376  ?        ?         ?              ?         
1 1 1 40 6  15 o 114.1786 6.046168  139.0142       9.753959  132.5624       19.50792  145.4660       19.50792  111.3533 8.759474  117.0039 8.336440  -5.650627      12.09234  
1 1 1 40 7  0  o 370.4968 4.661236  1376.475       34.52720  1376.475       34.52720  1376.475       34.52720  370.4968 4.661236  370.4968 4.661236  0.000000       0.000000  
1 1 1 40 7  1  o 56.57964 4.071475  32.78321       3.173491  24.33010       6.346982  41.23633       6.346982  49.10954 6.462066  64.04974 4.954729  -14.94020      8.142950  
1 1 1 40 7  2  o 168.6298 1.884925  285.8620       4.469572  250.8011       8.939144  320.9229       8.939144  158.2340 2.824659  179.0257 2.496610  -20.79163      3.769849  
1 1 1 40 7  3  o 185.9769 1.705513  347.1304       4.469572  381.0096       8.939144  313.2512       8.939144  195.0853 2.291085  176.8685 2.527060  18.21686       3.411027  
1 1 1 40 7  4  o 63.08420 3.644934  40.87419       3.149666  29.28570       6.299332  52.46267       6.299332  53.89926 5.843617  72.26913 4.358245  -18.36988      7.289867  
1 1 1 40 7  5  o 142.7926 2.422227  205.4335       4.860302  178.8400       9.720604  232.0270       9.720604  133.4807 3.641202  152.1046 3.195369  -18.62384      4.844454  
1 1 1 40 7  6  o 186.2617 2.269133  348.0834       5.975312  358.1852       11.95062  337.9816       11.95062  188.9735 3.161985  183.5500 3.255414  5.423462       4.538267  
1 1 1 40 7  7  o 57.11530 6.011421  33.39314       4.855536  33.61232       9.711073  33.17394       9.711073  57.30718 8.472824  56.92342 8.529946  0.3837624      12.02284  
1 1 1 40 7  8  o 59.21861 6.855729  38.93483       5.241503  20.11784       10.48301  57.75183       10.48301  43.08480 11.81602  75.35241 6.955985  -32.26761      13.71146  
1 1 1 40 7  9  o 128.9982 3.279220  168.1426       5.961017  151.9178       11.92203  184.3674       11.92203  122.7094 4.857831  135.2870 4.406201  -12.57757      6.558440  
1 1 1 40 7  10 o 48.08468 8.225959  24.89714       6.223093  9.520474       12.44619  40.27380       12.44619  34.10071 13.04385  62.06865 10.02615  -27.96794      16.45192  
1 1 1 40 7  11 o 123.1718 3.935165  155.5201       6.747242  124.4047       13.49448  186.6356       13.49448  110.5408 6.103846  135.8027 4.968416  -25.26184      7.870330  
1 1 1 40 7  12 o 72.37129 5.880697  54.28290       6.018198  53.42520       12.03640  55.14060       12.03640  71.77872 8.384376  72.96387 8.248189  -1.185143      11.76139  
1 1 1 40 7  13 o 185.6229 4.351974  353.3344       11.40741  331.6441       22.81483  375.0247       22.81483  179.7803 6.345197  191.4654 5.957950  -11.68513      8.703947  
1 1 1 40 7  14 o 28.09833 8.746547  -3.893007      7.142738  7.366693       14.28548  -15.15271      14.28548  32.97684 13.53185  23.21981 11.08591  9.757034       17.49309  
1 1 1 40 7  15 o 31.05921 14.05964  -2.887591      18.71693  -2.887591      18.71693  ?              ?         31.05921 14.05964  ?        ?         ?              ?         
1 1 1 40 8  0  f 71.21986 5.822828  51.90993       8.186274  51.90993       8.186274  51.90993       8.186274  71.21986 5.822828  71.21986 5.822828  0.000000       0.000000  
1 1 1 40 8  1  o 103.7259 2.589953  108.3704       3.773881  122.7369       7.547763  94.00397       7.547763  110.6512 3.410612  96.80073 3.898609  13.85043       5.179906  
1 1 1 40 8  2  o 127.7613 2.133527  163.5444       3.854887  163.1727       7.709774  163.9160       7.709774  127.6158 3.020696  127.9068 3.013826  -0.2909088     4.267054  
1 1 1 40 8  3  o 36.66094 6.179004  14.26165       3.206846  10.37817       6.413693  18.14513       6.413693  31.68759 9.429884  41.63430 7.987342  -9.946712      12.35801  
1 1 1 40 8  4  o 34.29346 6.211848  12.44619       3.035306  11.16916       6.070612  13.72320       6.070612  32.58307 9.016421  36.00386 8.547067  -3.420788      12.42370  
1 1 1 40 8  5  o 130.7726 2.631248  172.1881       4.846007  190.2094       9.692014  154.1669       9.692014  137.6629 3.520199  123.8823 3.911784  13.78060       5.262496  
1 1 1 40 8  6  o 119.4342 2.880563  143.4504       4.860302  135.8883       9.720604  151.0124       9.720604  116.2684 4.180243  122.6000 3.964358  -6.331566      5.761126  
1 1 1 40 8  7  o 73.13876 5.068312  54.44015       5.241503  53.32990       10.48301  55.55039       10.48301  72.37976 7.241669  73.89776 7.092911  -1.517998      10.13662  
1 1 1 40 8  8  o 113.8326 3.398139  130.6611       5.470222  132.0096       10.94044  129.3126       10.94044  114.4249 4.780623  113.2402 4.830635  1.184624       6.796278  
1 1 1 40 8  9  o 123.6135 3.729417  154.4242       6.518523  157.6548       13.03705  151.1935       13.03705  124.9203 5.218145  122.3068 5.329650  2.613525       7.458834  
1 1 1 40 8  10 o 55.88888 7.761028  34.77499       5.970548  49.81333       11.94110  19.73664       11.94110  69.36301 8.607682  42.41476 12.91673  26.94825       15.52206  
1 1 1 40 8  11 o 40.43175 8.923925  17.34461       5.875248  23.82501       11.75050  10.86420       11.75050  46.27444 12.43004  34.58907 12.80780  11.68537       17.84785  
1 1 1 40 8  12 o 79.35728 7.039943  66.29071       7.900373  65.53784       15.80075  67.04358       15.80075  78.88292 10.01532  79.83163 9.896294  -0.9487152     14.07989  
1 1 1 40 8  13 o 64.48605 8.742016  47.14016       7.719304  34.21271       15.43861  60.06762       15.43861  54.04305 14.12647  74.92906 10.30215  -20.88602      17.48403  
1 1 1 40 8  14 o 71.47308 9.878413  60.21056       9.625304  58.63811       19.25061  61.78302       19.25061  70.36039 14.17758  72.58576 13.75967  -2.225372      19.75683  
1 1 1 40 8  15 o 68.30150 8.925090  58.27121       8.505528  96.29116       17.01106  20.25126       17.01106  94.72594 8.979091  41.87706 15.42741  52.84888       17.85018  
1 1 1 40 8  16 o 43.03652 15.80811  23.34851       17.84970  23.34851       17.84970  ?              ?         43.03652 15.80811  ?        ?         ?              ?         
1 1 1 40 9  0  o 56.32961 9.143410  33.92681       9.615773  33.92681       9.615773  33.92681       9.615773  56.32961 9.143410  56.32961 9.143410  0.000000       0.000000  
1 1 1 40 9  1  o 86.22024 2.854346  74.62469       3.478451  77.50751       6.956903  71.74187       6.956903  87.89202 3.957642  84.54845 4.114151  3.343567       5.708693  
1 1 1 40 9  2  o 131.0020 2.152385  172.4883       3.969247  191.5245       7.938493  153.4521       7.938493  138.2677 2.870698  123.7364 3.207824  14.53121       4.304770  
1 1 1 40 9  3  o 162.2942 1.931753  263.9525       4.431452  254.1938       8.862904  273.7112       8.862904  159.2877 2.782043  165.3007 2.680843  -6.012985      3.863506  
1 1 1 40 9  4  o 61.08342 5.069456  44.10486       3.397446  74.34356       6.794893  13.86616       6.794893  86.03824 3.948763  36.12860 9.338350  49.90963       10.13891  
1 1 1 40 9  5  o 135.7734 2.513452  186.2353       4.779297  156.5208       9.558595  215.9499       9.558595  124.8307 3.828624  146.7161 3.257515  -21.88540      5.026904  
1 1 1 40 9  6  o 55.30199 5.316402  31.41089       4.093137  37.66258       8.186274  25.15921       8.186274  60.95431 6.715090  49.64968 8.244034  11.30462       10.63280  
1 1 1 40 9  7  o 108.4409 3.185197  118.5914       4.874598  127.3590       9.749194  109.8238       9.749194  112.4834 4.333613  104.3983 4.669230  8.085152       6.370394  
1 1 1 40 9  8  o 65.57114 5.691151  44.06674       5.270092  41.43645       10.54018  46.69702       10.54018  63.56547 8.290811  67.57681 7.798670  -4.011337      11.38230  
1 1 1 40 9  9  o 35.22624 8.573551  11.72667       5.346332  6.528053       10.69266  16.92529       10.69266  30.63692 12.00579  39.81556 12.24271  -9.178644      17.14710  
1 1 1 40 9  10 o 36.64756 8.971396  13.62791       5.675117  14.02816       11.35023  13.22765       11.35023  37.00400 12.69934  36.29111 12.67559  0.7128830      17.94279  
1 1 1 40 9  11 o 81.65127 6.078992  69.09729       7.018848  70.18848       14.03770  68.00610       14.03770  82.31947 8.526353  80.98307 8.667056  1.336395       12.15798  
1 1 1 40 9  12 o 135.2685 4.603722  187.9269       8.748544  163.5825       17.49709  212.2713       17.49709  126.2700 6.928443  144.2671 6.064131  -17.99709      9.207444  
1 1 1 40 9  13 o 79.22403 6.380276  66.40030       7.095088  57.53263       14.19018  75.26797       14.19018  73.62746 9.636470  84.82061 8.364816  -11.19315      12.76055  
1 1 1 40 9  14 o 132.7862 5.904151  186.1734       11.05957  200.5780       22.11914  171.7688       22.11914  138.2102 8.001993  127.3622 8.683555  10.84795       11.80830  
1 1 1 40 9  15 o 77.13216 8.662023  68.76850       9.086859  57.00848       18.17372  80.52853       18.17372  68.96838 13.66122  85.29592 10.65333  -16.32754      17.32405  
1 1 1 40 10 0  o 13.65869 9.627103  -9.272694      9.663424  -9.272694      9.663424  -9.272694      9.663424  13.65869 9.627103  13.65869 9.627103  0.000000       0.000000  
1 1 1 40 10 1  o 78.68628 2.960978  62.95997       3.230671  48.78409       6.461343  77.13585       6.461343  69.67844 4.636544  87.69413 3.684022  -18.01569      5.921956  
1 1 1 40 10 2  o 118.2390 2.432588  141.2442       4.021661  116.9141       8.043323  165.5743       8.043323  107.9505 3.725470  128.5275 3.129028  -20.57704      4.865177  
1 1 1 40 10 3  o 118.1154 2.353667  140.0386       3.926362  131.7428       7.852723  148.3345       7.852723  114.6036 3.426038  121.6271 3.228196  -7.023537      4.707333  
1 1 1 40 10 4  o 37.96648 6.123675  15.20512       3.511806  6.156383       7.023612  24.25386       7.023612  27.05605 9.918333  48.87691 7.185001  -21.82085      12.24735  
1 1 1 40 10 5  o 21.46479 6.635452  -2.187136      3.921597  1.486681       7.843193  -5.860952      7.843193  23.79778 9.920391  19.13180 8.814916  4.665972       13.27090  
1 1 1 40 10 6  o 138.7365 2.433059  193.3161       4.769767  202.3792       9.539534  184.2531       9.539534  142.0028 3.358925  135.4702 3.520897  6.532562       4.866117  
1 1 1 40 10 7  o 128.4226 2.827513  165.9221       5.131907  159.0558       10.26381  172.7885       10.26381  125.7492 4.081064  131.0959 3.914619  -5.346695      5.655027  
1 1 1 40 10 8  o 137.7644 2.988764  191.0766       5.822832  189.6471       11.64566  192.5061       11.64566  137.2456 4.242638  138.2832 4.210802  -1.037643      5.977528  
1 1 1 40 10 9  o 131.7889 3.193681  175.1281       5.951487  178.4588       11.90297  171.7974       11.90297  133.0526 4.473034  130.5253 4.559644  2.527328       6.387362  
1 1 1 40 10 10 o 103.2996 4.354928  110.0144       6.242152  86.00828       12.48430  134.0204       12.48430  91.67999 6.808631  114.9193 5.431772  -23.23927      8.709857  
1 1 1 40 10 11 o 29.84804 9.013089  0.9720606      6.842543  -3.669051      13.68509  5.613173       13.68509  27.38372 12.22286  32.31236 13.24933  -4.928642      18.02618  
1 1 1 40 10 12 o 34.42187 9.344707  9.225045       6.599527  15.18130       13.19905  3.268791       13.19905  38.50951 13.64725  30.33423 12.76897  8.175283       18.68941  
1 1 1 40 10 13 o 37.85097 10.50445  12.61296       8.195804  12.80832       16.39161  12.41759       16.39161  37.96904 14.86770  37.73289 14.84335  0.2361526      21.00889  
1 1 1 40 10 14 o 78.94597 7.159532  67.36759       7.986144  64.30846       15.97229  70.42673       15.97229  77.00848 10.37047  80.88345 9.873644  -3.874977      14.31906  
1 1 1 40 10 15 o 92.17781 8.810452  98.24958       11.45506  105.3637       22.91013  91.13543       22.91013  96.03674 11.92779  88.31888 12.97012  7.717857       17.62090  
1 1 1 40 11 0  o 36.42972 14.37574  18.59304       10.02556  18.59304       10.02556  18.59304       10.02556  36.42972 14.37574  36.42972 14.37574  0.000000       0.000000  
1 1 1 40 11 1  o 176.4849 1.997638  312.5412       4.974662  336.6474       9.949325  288.4351       9.949325  183.3144 2.713732  169.6553 2.932217  13.65903       3.995277  
1 1 1 40 11 2  o 55.12421 5.146869  31.87786       3.764351  41.27445       7.528703  22.48128       7.528703  63.95698 5.885756  46.29144 8.445053  17.66554       10.29374  
1 1 1 40 11 3  o 60.58006 4.448304  37.58633       3.735762  46.03945       7.471523  29.13322       7.471523  67.55687 5.529803  53.60324 6.969283  13.95362       8.896607  
1 1 1 40 11 4  o 44.75274 5.819154  20.81829       3.597576  19.00283       7.195153  22.63376       7.195153  42.34550 8.789592  47.15998 7.628453  -4.814476      11.63831  
1 1 1 40 11 5  o 44.39548 6.092637  21.49016       3.716702  32.36390       7.433403  10.61642       7.433403  56.52427 6.575408  32.26670 10.25889  24.25757       12.18527  
1 1 1 40 11 6  o 50.16192 6.619092  26.68878       4.521987  26.31234       9.043974  27.06521       9.043974  49.78641 9.425401  50.53743 9.295768  -0.7510185     13.23818  
1 1 1 40 11 7  o 87.74439 3.986024  77.86489       4.946072  77.15491       9.892144  78.57488       9.892144  87.33981 5.663021  88.14897 5.611038  -0.8091583     7.972048  
1 1 1 40 11 8  o 71.67281 4.903161  52.39596       4.955602  47.89780       9.911204  56.89412       9.911204  68.53482 7.230780  74.81079 6.624181  -6.275970      9.806322  
1 1 1 40 11 9  o 43.30748 8.234344  20.12737       5.613173  31.41089       11.22635  8.843843       11.22635  53.85426 10.80366  32.76069 12.42975  21.09357       16.46869  
1 1 1 40 11 10 o 100.7801 4.427454  103.8770       6.275507  116.1898       12.55101  91.56428       12.55101  106.8888 5.871061  94.67134 6.628729  12.21748       8.854909  
1 1 1 40 11 11 o 40.72256 9.698945  17.66386       6.618587  17.43038       13.23717  17.89735       13.23717  40.53004 13.71639  40.91508 13.71637  -0.3850403     19.39789  
1 1 1 40 11 12 o 64.83623 8.036820  46.64460       7.042673  34.06023       14.08535  59.22897       14.08535  54.66342 13.04633  75.00904 9.389098  -20.34562      16.07364  
1 1 1 40 11 13 o 86.88930 6.975262  81.15752       8.429289  65.24240       16.85858  97.07262       16.85858  77.73103 10.84418  96.04757 8.776160  -18.31654      13.95052  
1 1 1 40 11 14 o 43.22720 9.724610  20.23220       7.571588  5.089022       15.14318  35.37537       15.14318  32.16401 13.61469  54.29039 13.88929  -22.12638      19.44922  
1 1 1 40 11 15 o 47.04104 16.15256  28.87591       18.36432  28.87591       18.36432  ?              ?         47.04104 16.15256  ?        ?         ?              ?         
1 1 1 40 12 0  o 149.1727 4.172563  223.5643       12.42712  223.5643       12.42712  223.5643       12.42712  149.1727 4.172563  149.1727 4.172563  0.000000       0.000000  
1 1 1 40 12 1  o 183.3124 2.012589  337.3812       5.203382  365.9331       10.40676  308.8293       10.40676  191.1002 2.722856  175.5246 2.964474  15.57555       4.025177  
1 1 1 40 12 2  o 118.3114 2.208650  140.4341       3.692876  134.3921       7.385753  146.4762       7.385753  115.7579 3.190172  120.8648 3.055378  -5.106895      4.417299  
1 1 1 40 12 3  o 134.2460 2.236838  181.3322       4.226557  161.0475       8.453114  201.6168       8.453114  126.6910 3.336114  141.8010 2.980624  -15.11002      4.473676  
1 1 1 40 12 4  o 94.15265 3.034839  89.13889       4.040722  90.22055       8.081444  88.05724       8.081444  94.72706 4.265647  93.57823 4.318015  1.148827       6.069678  
1 1 1 40 12 5  o 131.0448 2.345065  172.3358       4.345681  169.9390       8.691362  174.7326       8.691362  130.1303 3.339485  131.9593 3.293198  -1.828995      4.690129  
1 1 1 40 12 6  o 88.86115 3.535524  79.95672       4.417156  70.10271       8.834313  89.81076       8.834313  83.31654 5.301657  94.40577 4.678905  -11.08923      7.071048  
1 1 1 40 12 7  o 89.61677 3.561071  81.68166       4.460042  95.94808       8.920084  67.41525       8.920084  97.57645 4.570818  81.65709 5.461916  15.91936       7.122141  
1 1 1 40 12 8  o 107.4916 3.168319  116.5567       4.807887  124.4714       9.615773  108.6420       9.615773  111.1732 4.324683  103.8101 4.631424  7.363052       6.336637  
1 1 1 40 12 9  o 34.09615 7.961034  11.61231       4.607757  16.10571       9.215513  7.118913       9.215513  38.53159 11.25790  29.66070 11.25930  8.870897       15.92207  
1 1 1 40 12 10 o 53.49252 8.033872  31.41566       5.894307  31.43948       11.78861  31.39183       11.78861  53.51472 11.35814  53.47031 11.36508  0.4441071E-01  16.06774  
1 1 1 40 12 11 o 54.49114 9.265641  33.64091       7.137973  41.22680       14.27595  26.05503       14.27595  61.02906 12.12683  47.95322 14.01244  13.07584       18.53128  
1 1 1 40 12 12 o 97.74115 5.642587  100.8036       7.604944  76.03990       15.20989  125.5673       15.20989  85.07315 8.939300  110.4092 6.887964  -25.33601      11.28517  
1 1 1 40 12 13 o 110.3656 4.986900  126.3440       7.776483  132.3527       15.55297  120.3354       15.55297  113.0878 6.876499  107.6435 7.224295  5.444328       9.973800  
1 1 1 40 12 14 o 35.37690 10.12323  9.463295       8.086207  16.77281       16.17241  2.153781       16.17241  39.45332 14.93343  31.30049 13.67159  8.152830       20.24647  
1 1 1 40 12 15 o 58.58050 14.74015  43.45682       17.26837  43.45682       17.26837  ?              ?         58.58050 14.74015  ?        ?         ?              ?         
1 1 1 40 12 16 o 55.25150 9.000810  41.33163       6.899723  39.29220       13.79945  43.37105       13.79945  53.46785 13.00990  57.03514 12.44190  -3.567287      18.00162  
1 1 1 40 13 0  o 61.30459 7.971373  38.55840       9.768253  38.55840       9.768253  38.55840       9.768253  61.30459 7.971373  61.30459 7.971373  0.000000       0.000000  
1 1 1 40 13 1  o 107.2013 2.912627  115.6418       4.407627  123.6709       8.815253  107.6128       8.815253  110.9461 3.972763  103.4565 4.260369  7.489677       5.825254  
1 1 1 40 13 2  o 33.98508 7.189509  12.07451       3.721466  12.04593       7.442933  12.10310       7.442933  33.95049 10.16960  34.01966 10.16541  -0.6916809E-01 14.37902  
1 1 1 40 13 3  o 84.80768 3.199555  72.38514       3.835827  69.98835       7.671653  74.78194       7.671653  83.39461 4.599610  86.22076 4.448843  -2.826149      6.399111  
1 1 1 40 13 4  o 62.47784 4.221058  39.74012       3.688112  33.00240       7.376224  46.47783       7.376224  57.08575 6.460652  67.86992 5.434089  -10.78416      8.442117  
1 1 1 40 13 5  o 91.31201 3.538666  84.09752       4.569637  83.91168       9.139274  84.28336       9.139274  91.21024 5.010004  91.41377 4.998850  -0.2035294     7.077332  
1 1 1 40 13 6  o 157.5462 2.536539  249.6194       5.641763  232.7799       11.28353  266.4589       11.28353  152.2019 3.706762  162.8905 3.463530  -10.68861      5.073079  
1 1 1 40 13 7  o 148.7281 2.732177  222.4541       5.746593  223.8598       11.49319  221.0484       11.49319  149.2007 3.851586  148.2556 3.876140  0.9451294      5.464355  
1 1 1 40 13 8  o 103.9416 3.761194  109.8762       5.479752  93.23203       10.95950  126.5203       10.95950  95.93509 5.711937  111.9481 4.894906  -16.01299      7.522388  
1 1 1 40 13 9  o 75.68179 4.974905  58.71435       5.322507  56.83695       10.64501  60.59177       10.64501  74.44146 7.149923  76.92213 6.919345  -2.480667      9.949811  
1 1 1 40 13 10 o 88.52671 4.464290  80.57619       5.513107  65.61407       11.02621  95.53828       11.02621  80.07609 6.884836  96.97733 5.684944  -16.90125      8.928580  
1 1 1 40 13 11 o 48.30363 7.880046  25.70242       5.617938  14.13300       11.23588  37.27185       11.23588  36.95190 12.63703  59.65537 9.417320  -22.70348      15.76009  
1 1 1 40 13 12 o 42.45389 8.458845  19.92724       5.722767  9.739664       11.44553  30.11481       11.44553  33.05215 12.54753  51.85563 11.34759  -18.80348      16.91769  
1 1 1 40 13 13 o 83.76348 5.482637  73.50492       6.494698  73.40962       12.98940  73.60022       12.98940  83.70660 7.758884  83.82037 7.748353  -0.1137695     10.96527  
1 1 1 40 13 14 o 87.28319 5.295113  80.05203       6.532818  82.85386       13.06564  77.25021       13.06564  88.88821 7.349477  85.67817 7.624834  3.210037       10.59023  
1 1 1 40 13 15 o 61.21105 9.006186  44.81484       7.538233  44.59089       15.07647  45.03880       15.07647  61.02648 12.76547  61.39562 12.70780  -0.3691444     18.01237  
1 1 1 40 14 0  o 130.0636 4.802596  170.4441       12.45572  170.4441       12.45572  170.4441       12.45572  130.0636 4.802596  130.0636 4.802596  0.000000       0.000000  
1 1 1 40 14 1  o 143.4644 2.433611  208.1639       4.879362  244.7305       9.758724  171.5972       9.758724  156.2086 3.123620  130.7203 3.732673  25.48830       4.867222  
1 1 1 40 14 2  o 61.60293 4.360276  38.38685       3.797706  39.36845       7.595412  37.40527       7.595412  62.39964 6.086103  60.80622 6.245589  1.593414       8.720552  
1 1 1 40 14 3  o 47.05605 6.087720  23.30086       3.916832  18.06889       7.833663  28.53283       7.833663  41.13239 9.673869  52.97971 7.393079  -11.84732      12.17544  
1 1 1 40 14 4  o 110.8125 2.673066  123.3897       4.188437  121.0025       8.376874  125.7770       8.376874  109.7354 3.816853  111.8897 3.743362  -2.154335      5.346132  
1 1 1 40 14 5  o 31.07379 6.776526  6.046787       4.274207  19.74617       8.548413  -7.652593      8.548413  42.84656 10.12395  19.30102 9.010597  23.54554       13.55305  
1 1 1 40 14 6  o 97.86034 3.363510  96.74860       4.641112  105.2779       9.282224  88.21925       9.282224  102.2183 4.540395  93.50241 4.963628  8.715843       6.727020  
1 1 1 40 14 7  o 90.19418 3.680102  82.40118       4.674467  73.80035       9.348933  91.00201       9.348933  85.42623 5.471934  94.96213 4.922454  -9.535896      7.360205  
1 1 1 40 14 8  o 51.15686 7.077456  27.95150       5.008017  32.64026       10.01603  23.26274       10.01603  56.16243 8.917023  46.15128 10.99310  10.01115       14.15491  
1 1 1 40 14 9  o 28.14189 8.044146  4.074077       5.036607  0.9434704      10.07321  7.204682       10.07321  25.89109 11.03712  30.39269 11.70534  -4.501595      16.08829  
1 1 1 40 14 10 o 107.5511 3.983206  117.5526       6.056317  113.9979       12.11263  121.1073       12.11263  105.8985 5.718983  109.2036 5.545895  -3.305115      7.966412  
1 1 1 40 14 11 f 32.52456 8.823514  7.952788       5.894307  2.430151       11.78861  13.47543       11.78861  28.52057 12.03944  36.52855 12.90231  -8.007986      17.64703  
1 1 1 40 14 12 o 117.3051 4.002089  140.9630       6.604293  124.6429       13.20859  157.2832       13.20859  110.3488 5.984926  124.2613 5.314841  -13.91255      8.004178  
1 1 1 40 14 13 o 94.40842 4.867896  92.89847       6.442283  79.24198       12.88457  106.5550       12.88457  87.17574 7.389994  101.6411 6.338266  -14.46534      9.735791  
1 1 1 40 14 14 o 29.35551 9.095634  -0.5860950     7.438168  7.280923       14.87634  -8.453114      14.87634  32.92149 13.68922  25.78955 11.98030  7.131941       18.19127  
1 1 1 40 14 15 o 41.21477 13.29204  20.71823       12.44619  20.71823       12.44619  ?              ?         41.21477 13.29204  ?        ?         ?              ?         
1 1 1 40 15 0  o 76.78483 7.289274  60.99202       11.00715  60.99202       11.00715  60.99202       11.00715  76.78483 7.289274  76.78483 7.289274  0.000000       0.000000  
1 1 1 40 15 1  o 229.6679 1.954600  528.7675       6.346982  542.2191       12.69396  515.3159       12.69396  232.5964 2.728754  226.7394 2.799241  5.856979       3.909200  
1 1 1 40 15 2  o 71.99868 3.875425  52.56750       3.916832  45.27705       7.833663  59.85795       7.833663  66.93578 5.851626  77.06158 5.082729  -10.12581      7.750849  
1 1 1 40 15 3  o 137.0935 2.294414  189.2087       4.426687  210.6703       8.853374  167.7471       8.853374  144.9208 3.054556  129.2661 3.424476  15.65469       4.588829  
1 1 1 40 15 4  o 134.5520 2.374896  181.8087       4.517222  175.8190       9.034444  187.7982       9.034444  132.3263 3.413701  136.7778 3.302600  -4.451508      4.749791  
1 1 1 40 15 5  o 34.38124 6.457311  9.144038       4.326622  -7.328573      8.653244  25.61665       8.653244  19.60954 9.120099  49.15294 9.143919  -29.54340      12.91462  
1 1 1 40 15 6  o 171.5701 2.256845  295.7017       5.470222  311.2309       10.94044  280.1726       10.94044  176.0957 3.106392  167.0445 3.274710  9.051208       4.513690  
1 1 1 40 15 7  o 120.0822 2.786391  145.0752       4.731647  146.8002       9.463295  143.3503       9.463295  120.8004 3.916913  119.3640 3.964050  1.436455       5.572782  
1 1 1 40 15 8  f 40.08077 7.436713  17.50662       4.421922  23.65347       8.843843  11.35976       8.843843  46.76255 9.773533  33.39900 11.21146  13.36355       14.87343  
1 1 1 40 15 9  o 97.41372 3.814428  96.61040       5.222442  84.41678       10.44488  108.8040       10.44488  91.15504 5.729187  103.6724 5.037447  -12.51736      7.628856  
1 1 1 40 15 10 f 22.07340 7.285112  -10.11133      5.656057  -5.222442      11.31211  -15.00023      11.31211  23.96899 10.88215  20.17781 9.688663  3.791178       14.57022  
1 1 1 40 15 11 o 51.74001 8.028907  29.98616       5.956253  17.81158       11.91251  42.16074       11.91251  40.22730 13.00696  63.25272 9.416595  -23.02542      16.05781  
1 1 1 40 15 12 o 63.37334 7.093473  42.89931       6.351747  44.85773       12.70349  40.94090       12.70349  64.91849 9.784190  61.82820 10.27322  3.090286       14.18695  
1 1 1 40 15 13 o 48.18785 9.486652  27.40829       7.028378  17.44944       14.05676  37.36715       14.05676  39.69896 14.08218  56.67674 12.71528  -16.97779      18.97330  
1 1 1 40 15 14 o 31.08274 13.06878  5.737062       13.79945  5.737062       13.79945  ?              ?         31.08274 13.06878  ?        ?         ?              ?         
1 1 1 40 15 15 o 57.89714 13.70173  42.57053       15.63874  42.57053       15.63874  ?              ?         57.89714 13.70173  ?        ?         ?              ?         
1 1 1 40 16 0  o 152.8103 4.561601  234.9146       13.91381  234.9146       13.91381  234.9146       13.91381  152.8103 4.561601  152.8103 4.561601  0.000000       0.000000  
1 1 1 40 16 1  o 20.28837 6.357367  -6.404163      4.012132  2.868531       8.024263  -15.67686      8.024263  25.07465 10.19074  15.50209 7.603508  9.572562       12.71473  
1 1 1 40 16 2  f 84.83695 3.468735  72.58527       4.159847  70.10271       8.319694  75.06784       8.319694  83.37381 4.989393  86.30009 4.820211  -2.926285      6.937469  
1 1 1 40 16 3  o 127.7609 2.455050  164.0257       4.431452  155.6631       8.862904  172.3882       8.862904  124.4882 3.559736  131.0337 3.381918  -6.545486      4.910101  
1 1 1 40 16 4  o 44.23636 6.807508  20.99936       4.288502  29.33335       8.577003  12.66537       8.577003  53.55595 8.007517  34.91676 11.01128  18.63919       13.61502  
1 1 1 40 16 5  o 78.27400 4.119369  62.08797       4.555342  58.89542       9.110683  65.28053       9.110683  76.23466 5.975421  80.31335 5.671961  -4.078690      8.238738  
1 1 1 40 16 6  o 120.3981 2.988926  145.9377       5.089022  147.3529       10.17804  144.5225       10.17804  120.9858 4.206295  119.8104 4.247562  1.175438       5.977852  
1 1 1 40 16 7  o 80.27292 4.286529  65.66649       4.841242  58.12350       9.682484  73.20950       9.682484  75.57457 6.405914  84.97126 5.697505  -9.396690      8.573057  
1 1 1 40 16 8  o 118.4937 3.338840  142.6117       5.555993  123.4231       11.11199  161.8004       11.11199  110.3968 5.032749  126.5906 4.388946  -16.19382      6.677680  
1 1 1 40 16 9  o 97.78364 3.807712  96.98685       5.265327  98.04468       10.53065  95.92902       10.53065  98.32455 5.355049  97.24273 5.414623  1.081818       7.615424  
1 1 1 40 16 10 o 74.51900 5.589099  57.62317       5.846657  49.82286       11.69331  65.42348       11.69331  69.28522 8.438535  79.75277 7.330977  -10.46755      11.17820  
1 1 1 40 16 11 o 37.12553 9.250231  13.61361       6.289802  6.899723       12.57960  20.32750       12.57960  31.83844 12.83147  42.41261 13.32744  -10.57417      18.50046  
1 1 1 40 16 12 o 25.17068 8.094017  -8.214863      6.609057  2.039421       13.21811  -18.46915      13.21811  29.20190 12.55184  21.13946 10.22271  8.062441       16.18803  
1 1 1 40 16 13 o 32.86576 8.931572  6.332687       6.613823  19.46027       13.22765  -6.794893      13.22765  40.87946 13.71144  24.85206 11.44939  16.02740       17.86314  
1 1 1 40 16 14 o 93.31705 6.080603  93.83719       8.024263  92.93660       16.04853  94.73777       16.04853  92.83450 8.643622  93.79958 8.554689  -0.9650803     12.16121  
1 1 1 40 16 15 o 69.58452 8.811824  60.93485       8.443583  54.96906       16.88717  66.90063       16.88717  64.72522 13.48877  74.44382 11.34222  -9.718597      17.62365  
1 1 1 40 17 0  o 112.9818 5.604876  129.2840       12.59866  129.2840       12.59866  129.2840       12.59866  112.9818 5.604876  112.9818 5.604876  0.000000       0.000000  
1 1 1 40 17 1  o 87.82579 3.551851  79.28487       4.283737  57.72324       8.567473  100.8465       8.567473  75.55056 5.670026  100.1010 4.279414  -24.55045      7.103702  
1 1 1 40 17 2  o 83.29547 3.509094  70.16465       4.116962  62.96474       8.233924  77.36458       8.233924  78.97356 5.213089  87.61739 4.698796  -8.643829      7.018189  
1 1 1 40 17 3  o 64.90211 4.608649  42.78019       4.226557  44.76243       8.453114  40.79795       8.453114  66.42921 6.362497  63.37500 6.669123  3.054203       9.217298  
1 1 1 40 17 4  o 54.46648 6.081176  31.42519       4.450512  39.45421       8.901024  23.39616       8.901024  62.22326 7.152489  46.70969 9.836906  15.51358       12.16235  
1 1 1 40 17 5  o 168.3425 2.422391  284.8471       5.760887  269.7277       11.52177  299.9664       11.52177  163.8519 3.515913  172.8331 3.333207  -8.981293      4.844782  
1 1 1 40 17 6  o 95.14632 3.971820  91.95500       5.317742  102.3999       10.63548  81.51012       10.63548  100.6352 5.284179  89.65746 5.931177  10.97771       7.943639  
1 1 1 40 17 7  o 150.7367 2.627616  228.8058       5.598877  220.9436       11.19775  236.6681       11.19775  148.1288 3.779737  153.3446 3.651173  -5.215881      5.255233  
1 1 1 40 17 8  o 34.42607 8.644587  11.47889       5.298682  10.63548       10.59736  12.32230       10.59736  33.68967 12.19935  35.16248 12.25118  -1.472816      17.28917  
1 1 1 40 17 9  o 102.2458 4.022110  106.6836       5.779948  93.25108       11.55990  120.1162       11.55990  95.67707 6.041101  108.8146 5.311740  -13.13750      8.044220  
1 1 1 40 17 10 o 182.0758 2.654026  334.3268       6.828248  349.9799       13.65650  318.6738       13.65650  186.3743 3.663728  177.7773 3.840899  8.596985       5.308051  
1 1 1 40 17 11 o 35.28315 8.995172  12.46048       5.756122  11.96968       11.51224  12.95128       11.51224  34.87814 12.70664  35.68817 12.73553  -0.8100281     17.99034  
1 1 1 40 17 12 o 47.87186 8.829277  26.73166       6.151618  20.30844       12.30324  33.15488       12.30324  41.88915 13.18366  53.85457 11.74801  -11.96542      17.65855  
1 1 1 40 17 13 o 33.24633 8.747680  3.835827       6.833013  23.63441       13.66603  -15.96276      13.66603  44.32390 13.88367  22.16875 10.64572  22.15515       17.49536  
1 1 1 40 17 14 o 33.96701 13.77332  10.02556       14.61903  10.02556       14.61903  ?              ?         33.96701 13.77332  ?        ?         ?              ?         
1 1 1 40 18 0  o 115.2263 5.371999  134.3064       12.32230  134.3064       12.32230  134.3064       12.32230  115.2263 5.371999  115.2263 5.371999  0.000000       0.000000  
1 1 1 40 18 1  o 47.89855 6.269096  25.49276       4.055017  39.63528       8.110033  11.35023       8.110033  62.49104 6.488957  33.30607 10.72845  29.18497       12.53819  
1 1 1 40 18 2  o 89.88730 3.307299  81.93421       4.164612  94.76637       8.329224  69.10205       8.329224  97.02522 4.292299  82.74938 5.032801  14.27583       6.614599  
1 1 1 40 18 3  o 34.74989 7.720468  11.79815       4.555342  18.88847       9.110683  4.707822       9.110683  41.77469 10.82047  27.72508 11.01544  14.04961       15.44094  
1 1 1 40 18 4  o 61.24088 5.367260  38.33444       4.645877  36.89065       9.291754  39.77823       9.291754  60.06210 7.735123  62.41966 7.442970  -2.357563      10.73452  
1 1 1 40 18 5  f 154.7940 2.396531  240.6755       5.246267  241.4331       10.49253  239.9178       10.49253  155.0387 3.383844  154.5492 3.394560  0.4894409      4.793061  
1 1 1 40 18 6  o 135.9440 2.698258  186.2068       5.179556  174.3895       10.35911  198.0239       10.35911  131.5977 3.935903  140.2904 3.692026  -8.692688      5.396516  
1 1 1 40 18 7  o 18.63581 6.274996  -11.31211      4.593462  -13.44684      9.186924  -9.177394      9.186924  17.83287 8.603635  19.43874 9.136726  -1.605867      12.54999  
1 1 1 40 18 8  o 87.43201 4.393118  78.06026       5.413042  70.68404       10.82608  85.43649       10.82608  83.21375 6.504985  91.65027 5.906194  -8.436523      8.786237  
1 1 1 40 18 9  o 110.1959 3.915612  123.4898       6.094438  116.4566       12.18888  130.5229       12.18888  107.0047 5.695486  113.3871 5.374895  -6.382385      7.831223  
1 1 1 40 18 10 o 64.70541 6.212915  43.87614       5.684648  43.16138       11.36929  44.59089       11.36929  64.15309 8.861065  65.25772 8.711073  -1.104630      12.42583  
1 1 1 40 18 11 o 168.9438 2.874709  289.7979       6.823483  327.5081       13.64697  252.0877       13.64697  180.1044 3.788627  157.7832 4.324594  22.32117       5.749417  
1 1 1 40 18 12 o 44.99127 9.332574  23.19603       6.837778  34.67968       13.67556  11.71237       13.67556  54.59245 12.74453  35.39009 13.63689  19.20236       18.66515  
1 1 1 40 18 13 o 107.4469 4.816244  120.6927       7.299983  130.1608       14.59997  111.2247       14.59997  111.8529 6.526416  103.0410 7.084541  8.811844       9.632488  
1 1 1 40 18 14 o 96.57596 6.035074  100.9323       8.219628  92.87941       16.43926  108.9851       16.43926  92.40678 8.895049  100.7451 8.158834  -8.338364      12.07015  
1 1 1 40 19 0  o 112.0741 5.616654  127.2827       12.52242  127.2827       12.52242  127.2827       12.52242  112.0741 5.616654  112.0741 5.616654  0.000000       0.000000  
1 1 1 40 19 1  o 68.85677 4.636917  48.19800       4.512457  50.15640       9.024914  46.23958       9.024914  70.27886 6.420788  67.43468 6.691597  2.844185       9.273833  
1 1 1 40 19 2  o 91.15503 3.541009  84.04987       4.550577  76.46876       9.101154  91.63099       9.101154  86.99667 5.230749  95.31339 4.774331  -8.316727      7.082017  
1 1 1 40 19 3  o 98.32074 3.338459  98.99291       4.531517  123.4612       9.063033  74.52463       9.063033  110.7638 4.091152  85.87765 5.276713  24.88618       6.676917  
1 1 1 40 19 4  o 44.68499 7.063980  21.55687       4.641112  10.60689       9.282224  32.50684       9.282224  33.08716 11.47178  56.28281 8.246057  -23.19565      14.12796  
1 1 1 40 19 5  o 80.07944 4.592680  65.50448       5.174792  72.97124       10.34958  58.03772       10.34958  84.74154 6.106559  75.41734 6.861541  9.324196       9.185359  
1 1 1 40 19 6  o 58.39133 6.655835  38.60605       4.960367  58.84777       9.920734  18.36432       9.920734  75.90426 6.535031  40.87840 11.59715  35.02586       13.31167  
1 1 1 40 19 7  o 65.03947 5.745438  44.35740       5.141437  55.78864       10.28287  32.92616       10.28287  73.82740 6.964131  56.25154 9.140081  17.57586       11.49088  
1 1 1 40 19 8  o 35.92612 7.932318  9.701544       5.651292  26.18845       11.30258  -6.785362      11.30258  48.57824 11.74562  23.27400 10.66429  25.30423       15.86464  
1 1 1 40 19 9  o 85.17792 4.851892  74.45316       5.841892  71.91341       11.68378  76.99290       11.68378  83.68707 6.980639  86.66877 6.740482  -2.981697      9.703784  
1 1 1 40 19 10 o 51.40121 8.347006  29.99092       5.994372  36.62380       11.98874  23.35804       11.98874  57.58915 10.80734  45.21326 12.72365  12.37589       16.69401  
1 1 1 40 19 11 o 154.6909 3.156827  243.5154       6.880662  219.8000       13.76132  267.2308       13.76132  147.0255 4.679911  162.3563 4.238001  -15.33084      6.313653  
1 1 1 40 19 12 o 75.22099 6.697108  61.02538       7.123678  61.87831       14.24736  60.17245       14.24736  75.78794 9.399487  74.65403 9.542255  1.133911       13.39422  
1 1 1 40 19 13 o 103.0066 5.557529  115.0796       7.800308  148.4203       15.60062  81.73884       15.60062  119.1904 6.544409  86.82285 8.984166  32.36755       11.11506  
1 1 1 40 19 14 o 43.46410 14.29187  25.03532       14.37125  25.03532       14.37125  ?              ?         43.46410 14.29187  ?        ?         ?              ?         
1 1 1 40 20 0  o 125.2754 5.242218  158.5697       13.08470  158.5697       13.08470  158.5697       13.08470  125.2754 5.242218  125.2754 5.242218  0.000000       0.000000  
1 1 1 40 20 1  o 42.11608 6.488660  18.16895       4.636347  -0.6289803     9.272694  36.96688       9.272694  24.10208 10.43832  60.13009 7.710527  -36.02802      12.97732  
1 1 1 40 20 2  o 57.23130 6.133783  34.34137       4.788827  39.99743       9.577654  28.68531       9.577654  62.55342 7.655580  51.90919 9.585680  10.64423       12.26757  
1 1 1 40 20 3  o 34.16708 6.911390  9.911204       4.407627  23.25321       8.815253  -3.430801      8.815253  46.53752 9.781053  21.79663 9.767306  24.74088       13.82278  
1 1 1 40 20 4  o 51.07665 7.074582  28.07063       4.922247  26.63636       9.844495  29.50489       9.844495  49.65790 10.26153  52.49541 9.741659  -2.837513      14.14916  
1 1 1 40 20 5  o 65.42480 5.548674  44.14297       5.127142  46.67796       10.25428  41.60800       10.25428  67.36213 7.611312  63.48748 8.075831  3.874645       11.09735  
1 1 1 40 20 6  o 92.39104 3.938736  86.66109       5.146202  85.84627       10.29240  87.47591       10.29240  91.95008 5.596735  92.83200 5.543565  -0.8819199     7.877471  
1 1 1 40 20 7  o 33.50092 7.304744  5.084258       5.298682  25.07344       10.59736  -14.90493      10.59736  47.70341 11.27251  19.29842 9.293414  28.40499       14.60949  
1 1 1 40 20 8  o 88.41348 4.587542  79.93767       5.732297  83.20647       11.46459  76.66888       11.46459  90.26205 6.350728  86.56490 6.621965  3.697159       9.175084  
1 1 1 40 20 9  o 101.1760 4.385788  104.8205       6.270743  109.3663       12.54149  100.2747       12.54149  103.4225 6.063228  98.92953 6.338596  4.492989       8.771576  
1 1 1 40 20 10 o 55.75378 8.314995  34.76545       6.480402  27.29393       12.96080  42.23698       12.96080  48.68648 13.04393  62.82109 10.31565  -14.13461      16.62999  
1 1 1 40 20 11 o 52.03304 9.207609  31.86357       6.861602  24.66365       13.72320  39.06349       13.72320  45.68922 13.83380  58.37687 12.15510  -12.68765      18.41522  
1 1 1 40 20 12 o 66.26936 8.270578  50.72344       7.390518  36.32838       14.78104  65.11852       14.78104  54.94971 13.52332  77.58902 9.525212  -22.63931      16.54116  
1 1 1 40 20 13 o 73.16582 7.196897  60.41546       7.047437  74.99161       14.09487  45.83932       14.09487  83.56552 8.433427  62.76613 11.66442  20.79939       14.39379  
1 1 1 40 20 14 o 59.57965 13.63645  49.32730       15.90558  49.32730       15.90558  ?              ?         59.57965 13.63645  ?        ?         ?              ?         
1 1 1 40 21 0  o 47.53051 15.93036  29.97186       13.47543  29.97186       13.47543  29.97186       13.47543  47.53051 15.93036  47.53051 15.93036  0.000000       0.000000  
1 1 1 40 21 1  o 70.87174 5.132423  53.64440       4.769767  31.20123       9.539534  76.08755       9.539534  55.03810 8.666301  86.70538 5.501120  -31.66729      10.26485  
1 1 1 40 21 2  o 23.91761 7.290795  -0.6432754     4.541047  -3.516572      9.082094  2.230021       9.082094  22.09268 9.906652  25.74255 10.69958  -3.649870      14.58159  
1 1 1 40 21 3  o 86.09084 4.095715  75.94460       4.912717  61.17310       9.825435  90.71611       9.825435  77.51182 6.338023  94.66986 5.189315  -17.15804      8.191429  
1 1 1 40 21 4  o 29.77277 7.678313  3.302146       5.098552  -9.901674      10.19710  16.50597       10.19710  20.54207 9.647279  39.00348 11.94805  -18.46142      15.35663  
1 1 1 40 21 5  o 96.20539 4.190919  94.18980       5.698943  97.66348       11.39789  90.71611       11.39789  98.01074 5.814610  94.40004 6.037013  3.610703       8.381838  
1 1 1 40 21 6  o 111.9871 3.500165  128.3358       5.446397  155.5106       10.89279  101.1610       10.89279  124.1201 4.388006  99.85406 5.454357  24.26604       7.000329  
1 1 1 40 21 7  o 90.42552 4.643212  84.17853       5.870482  98.42589       11.74096  69.93117       11.74096  98.30347 5.971796  82.54758 7.111635  15.75590       9.286425  
1 1 1 40 21 8  f 152.2990 3.098696  235.5817       6.623353  268.6508       13.24671  202.5126       13.24671  163.1557 4.059529  141.4424 4.682721  21.71326       6.197391  
1 1 1 40 21 9  f 99.44762 4.636220  101.7566       6.513757  106.9076       13.02751  96.60565       13.02751  102.0374 6.383696  96.85783 6.725071  5.179588       9.272440  
1 1 1 40 21 10 o 64.86781 7.372170  46.73990       6.399398  34.11741       12.79880  59.36240       12.79880  54.67787 12.02927  75.05775 8.525966  -20.37989      14.74434  
1 1 1 40 21 11 o 46.71864 9.492045  25.89302       6.637648  22.81483       13.27530  28.97121       13.27530  43.95882 13.66668  49.47845 13.17640  -5.519627      18.98409  
1 1 1 40 21 12 o 22.25695 10.72427  -17.05871      14.16159  -17.05871      14.16159  ?              ?         22.25695 10.72427  ?        ?         ?              ?         
1 1 1 40 21 13 o 76.89857 7.846517  71.47503       7.428638  107.6128       14.85728  35.33725       14.85728  100.7358 7.374378  53.06136 13.85243  47.67443       15.69303  
1 1 1 40 22 0  o 80.63286 8.152226  67.94892       12.90362  67.94892       12.90362  67.94892       12.90362  80.63286 8.152226  80.63286 8.152226  0.000000       0.000000  
1 1 1 40 22 1  o 88.92471 4.166724  81.03362       5.170027  95.99573       10.34005  66.07152       10.34005  97.33751 5.311444  80.51192 6.421443  16.82558       8.333448  
1 1 1 40 22 2  o 53.97602 6.823490  33.25495       4.912717  52.97729       9.825435  13.53261       9.825435  71.97255 6.825820  35.97949 11.81729  35.99306       13.64698  
1 1 1 40 22 3  o 110.3996 3.402352  123.3564       5.308212  128.7027       10.61642  118.0100       10.61642  112.8210 4.704988  107.9782 4.916002  4.842705       6.804703  
1 1 1 40 22 4  o 96.45211 3.930916  94.50906       5.355862  89.40096       10.71172  99.61713       10.71172  93.80412 5.709624  99.10011 5.404497  -5.295990      7.861832  
1 1 1 40 22 5  o 113.3272 3.172551  129.6986       5.084257  127.9498       10.16851  131.4473       10.16851  112.5556 4.517107  114.0987 4.456016  -1.543114      6.345103  
1 1 1 40 22 6  o 24.77454 7.702333  -2.473036      5.327272  1.915531       10.65454  -6.861602      10.65454  27.12735 11.44823  22.42174 10.30736  4.705608       15.40467  
1 1 1 40 22 7  o 95.79951 4.532860  94.01349       6.118262  84.85516       12.23652  103.1718       12.23652  91.01957 6.721920  100.5795 6.083014  -9.559891      9.065720  
1 1 1 40 22 8  o 61.11687 7.501354  40.64070       6.299332  45.60107       12.59866  35.68034       12.59866  65.65704 9.594300  56.57670 11.53389  9.080338       15.00271  
1 1 1 40 22 9  o 58.03651 7.915282  37.45768       6.256447  35.31820       12.51289  39.59716       12.51289  56.17455 11.53378  59.89848 10.84337  -3.723930      15.83056  
1 1 1 40 22 10 o 34.46384 8.653047  5.718002       6.671002  -13.90427      13.34200  25.34028       13.34200  22.58939 10.76789  46.33830 13.54819  -23.74891      17.30609  
1 1 1 40 22 11 o 39.91111 9.691710  18.10701       6.737713  13.07517       13.47543  23.13885       13.47543  35.90383 13.61928  43.91840 13.79247  -8.014572      19.38342  
1 1 1 40 22 12 o 57.53902 9.579582  40.70264       7.690712  36.29978       15.38142  45.10551       15.38142  53.87933 14.10798  61.19870 12.96296  -7.319363      19.15916  
1 1 1 40 22 13 o 76.77895 8.154102  71.61798       8.205333  93.79430       16.41067  49.44166       16.41067  91.71882 8.946183  61.83907 13.63537  29.87975       16.30820  
1 1 1 40 23 0  f 22.86093 14.41508  3.974012       13.62791  3.974012       13.62791  3.974012       13.62791  22.86093 14.41508  22.86093 14.41508  0.000000       0.000000  
1 1 1 40 23 1  o 34.12418 8.501627  11.29305       5.146202  13.78991       10.29240  8.796194       10.29240  36.36085 12.09483  31.88750 11.95097  4.473347       17.00325  
1 1 1 40 23 2  o 90.27158 4.150005  84.42155       5.141437  107.4317       10.28287  61.41135       10.28287  103.0166 4.990884  77.52660 6.631836  25.48996       8.300011  
1 1 1 40 23 3  o 88.30991 4.481370  80.11874       5.527402  65.90950       11.05480  94.32798       11.05480  80.26481 6.886457  96.35501 5.736497  -16.09020      8.962740  
1 1 1 40 23 4  o 169.1346 2.640821  288.1111       6.313628  298.3177       12.62726  277.9044       12.62726  172.1519 3.667475  166.1172 3.800705  6.034637       5.281641  
1 1 1 40 23 5  o 29.29517 8.039381  0.2668405      5.722767  15.34331       11.44553  -14.80962      11.44553  38.17070 12.75438  20.41964 9.790421  17.75105       16.07876  
1 1 1 40 23 6  o 37.50378 9.047770  14.58567       5.779948  12.96080       11.55990  16.21054       11.55990  36.07272 12.77296  38.93485 12.81795  -2.862129      18.09554  
1 1 1 40 23 7  f 105.0756 3.950953  112.4731       5.870482  110.6433       11.74096  114.3029       11.74096  104.2049 5.633597  105.9462 5.541001  -1.741379      7.901906  
1 1 1 40 23 8  o 123.6651 3.735781  156.1110       6.508993  171.4066       13.01799  140.8153       13.01799  129.8494 5.012724  117.4808 5.540474  12.36861       7.471563  
1 1 1 40 23 9  o 82.70195 5.846777  71.96582       6.833013  68.86381       13.66603  75.06784       13.66603  80.82653 8.453923  84.57738 8.079008  -3.750847      11.69355  
1 1 1 40 23 10 o 47.30092 8.174269  21.80465       7.457228  51.08081       14.91446  -7.471523      14.91446  68.21712 10.93161  26.38473 12.15626  41.83239       16.34854  
1 1 1 40 23 11 o 90.64005 5.532799  86.91364       7.090323  84.74080       14.18065  89.08647       14.18065  89.44143 7.927337  91.83865 7.720413  -2.397224      11.06560  
1 1 1 40 23 12 o 78.51637 7.266030  68.66367       8.029028  61.64960       16.05806  75.67776       16.05806  74.04974 10.84275  82.98300 9.675509  -8.933266      14.53206  
1 1 1 40 24 0  o 168.9694 5.100408  288.0825       17.20166  288.0825       17.20166  288.0825       17.20166  168.9694 5.100408  168.9694 5.100408  0.000000       0.000000  
1 1 1 40 24 1  o 63.63651 6.888069  45.73925       5.527402  22.64329       11.05480  68.83521       11.05480  45.20556 12.01745  82.06747 6.735193  -36.86190      13.77614  
1 1 1 40 24 2  o 72.47412 5.067614  53.84452       5.193852  53.39661       10.38770  54.29243       10.38770  72.16511 7.197180  72.78313 7.136065  -0.6180267     10.13523  
1 1 1 40 24 3  f 132.9599 3.185426  178.5732       5.989607  177.6202       11.97921  179.5262       11.97921  132.6015 4.516998  133.3183 4.492713  -0.7167511     6.370851  
1 1 1 40 24 4  o 44.74207 8.450228  22.09055       5.775182  12.31277       11.55036  31.86833       11.55036  35.57503 12.75046  53.90911 11.09284  -18.33408      16.90046  
1 1 1 40 24 5  o 139.3967 3.211626  196.5087       6.327922  189.1896       12.65584  203.8277       12.65584  136.7714 4.626642  142.0219 4.455596  -5.250519      6.423251  
1 1 1 40 24 6  o 146.2746 3.181972  216.6218       6.575703  205.5241       13.15141  227.7194       13.15141  142.4812 4.615138  150.0681 4.381813  -7.586899      6.363944  
1 1 1 40 24 7  o 51.05741 8.202477  29.31906       5.789477  29.16181       11.57895  29.47630       11.57895  50.90954 11.62313  51.20528 11.57693  -0.2957420     16.40495  
1 1 1 40 24 8  o 39.07635 9.150591  16.60603       5.999137  12.19841       11.99827  21.01366       11.99827  35.23129 12.95867  42.92142 12.92308  -7.690128      18.30118  
1 1 1 40 24 9  o 41.60873 9.645213  19.32208       6.866368  27.40829       13.73274  11.23588       13.73274  48.10545 13.64357  35.11202 13.63721  12.99343       19.29043  
1 1 1 40 24 10 o 73.22867 7.060257  58.48087       7.299983  54.97859       14.59997  61.98315       14.59997  70.83733 10.30528  75.62000 9.653509  -4.782661      14.12051  
1 1 1 40 24 11 o 49.25425 14.02640  30.35306       14.48561  30.35306       14.48561  ?              ?         49.25425 14.02640  ?        ?         ?              ?         
1 1 1 40 24 12 o 34.06403 13.82953  11.36929       14.76198  11.36929       14.76198  ?              ?         34.06403 13.82953  ?        ?         ?              ?         
1 1 1 40 25 0  o 44.61393 17.85810  29.09510       15.39096  29.09510       15.39096  29.09510       15.39096  44.61393 17.85810  44.61393 17.85810  0.000000       0.000000  
1 1 1 40 25 1  o 63.81644 6.250546  42.58006       5.584582  49.25106       11.16916  35.90905       11.16916  69.04315 8.088539  58.58972 9.531675  10.45343       12.50109  
1 1 1 40 25 2  o 68.95401 5.371677  49.33683       5.170027  40.45486       10.34005  58.21880       10.34005  62.51351 8.270256  75.39451 6.857299  -12.88100      10.74335  
1 1 1 40 25 3  o 75.70950 5.349370  59.03837       5.727532  58.94307       11.45506  59.13367       11.45506  75.64656 7.571437  75.77244 7.558860  -0.1258774     10.69874  
1 1 1 40 25 4  o 152.6745 3.139286  236.0344       6.756773  257.4340       13.51355  214.6348       13.51355  159.6828 4.231372  145.6663 4.638528  14.01651       6.278571  
1 1 1 40 25 5  o 31.80971 8.671958  6.022963       5.984842  -3.144901      11.96968  15.19082       11.96968  25.62267 11.43414  37.99675 13.04116  -12.37409      17.34392  
1 1 1 40 25 6  o 103.4245 4.640964  110.8721       6.694828  131.3997       13.38966  90.34444       13.38966  113.3485 5.906411  93.50056 7.160202  19.84794       9.281927  
1 1 1 40 25 7  o 96.55479 5.015243  97.84454       6.666237  122.7941       13.33247  72.89500       13.33247  109.4747 6.089296  83.63491 7.970640  25.83978       10.03049  
1 1 1 40 25 8  o 82.08131 5.581946  70.98423       6.432753  80.34746       12.86551  61.62100       12.86551  87.78493 7.327856  76.37768 8.422295  11.40726       11.16389  
1 1 1 40 25 9  o 98.96419 4.710550  102.0235       6.551878  114.6269       13.10376  89.42002       13.10376  105.3319 6.220223  92.59651 7.075728  12.73535       9.421100  
1 1 1 40 25 10 o 84.00504 6.756859  77.26927       7.909904  91.24026       15.81981  63.29829       15.81981  92.32060 8.567864  75.68947 10.45047  16.63113       13.51372  
1 1 1 40 25 11 o 48.96926 14.64759  30.47695       15.44814  30.47695       15.44814  ?              ?         48.96926 14.64759  ?        ?         ?              ?         
1 1 1 40 26 0  o 38.14214 17.90821  22.90060       15.21942  22.90060       15.21942  22.90060       15.21942  38.14214 17.90821  38.14214 17.90821  0.000000       0.000000  
1 1 1 40 26 1  o 136.0815 3.174148  187.6219       6.084907  168.7764       12.16981  206.4675       12.16981  129.1572 4.711242  143.0059 4.255004  -13.84874      6.348296  
1 1 1 40 26 2  o 100.1019 4.093210  102.7906       5.722767  84.53114       11.44553  121.0501       11.44553  90.98149 6.290035  109.2224 5.239555  -18.24089      8.186420  
1 1 1 40 26 3  o 51.87685 7.560598  30.48172       5.708472  49.39400       11.41694  11.56942       11.41694  68.97738 8.275862  34.77632 12.65546  34.20106       15.12120  
1 1 1 40 26 4  o 107.5760 4.005366  118.3055       6.065848  131.0661       12.13170  105.5448       12.13170  113.5070 5.344028  101.6450 5.967679  11.86202       8.010732  
1 1 1 40 26 5  o 75.57286 6.210608  59.99614       6.637648  59.87701       13.27530  60.11526       13.27530  75.49404 8.792280  75.65167 8.773961  -0.1576309     12.42122  
1 1 1 40 26 6  o 132.4532 3.910555  179.0735       7.319043  187.3408       14.63809  170.8063       14.63809  135.5741 5.398556  129.3324 5.659094  6.241653       7.821109  
1 1 1 40 26 7  o 86.27757 5.637087  78.14127       6.875898  80.30935       13.75180  75.97320       13.75180  87.53402 7.855115  85.02112 8.087283  2.512901       11.27417  
1 1 1 40 26 8  o 74.98215 6.610226  60.14862       7.009318  60.65847       14.01864  59.63876       14.01864  75.32213 9.305789  74.64216 9.390562  0.6799698      13.22045  
1 1 1 40 26 9  o 69.75029 7.698214  55.34074       7.128443  71.42738       14.25689  39.25409       14.25689  81.75929 8.718818  57.74129 12.68985  24.01800       15.39643  
1 1 1 40 26 10 o 142.0002 4.060751  208.9120       8.133858  225.5847       16.26772  192.2392       16.26772  147.8709 5.500648  136.1295 5.975087  11.74135       8.121502  
1 1 1 40 26 11 o 62.13345 9.234639  48.56013       8.052853  33.45031       16.10571  63.66996       16.10571  49.89238 14.96265  74.37451 10.82744  -24.48214      18.46928  
1 1 1 40 27 0  o 33.18920 17.49547  17.73534       15.28613  17.73534       15.28613  17.73534       15.28613  33.18920 17.49547  33.18920 17.49547  0.000000       0.000000  
1 1 1 40 27 1  o 42.27925 9.125031  19.79858       6.099203  25.12109       12.19841  14.47608       12.19841  47.10290 12.67022  37.45559 13.13508  9.647308       18.25006  
1 1 1 40 27 2  o 85.64178 4.698837  75.43951       5.675117  69.10205       11.35023  81.77696       11.35023  81.94181 6.925789  89.34177 6.352143  -7.399956      9.397675  
1 1 1 40 27 3  o 42.31068 9.233271  20.15596       6.094438  22.28115       12.18888  18.03077       12.18888  44.25587 12.95274  40.36548 13.16205  3.890392       18.46654  
1 1 1 40 27 4  o 58.98432 7.535019  38.02948       6.123027  42.50382       12.24605  33.55514       12.24605  63.26780 9.677953  54.70085 11.55177  8.566952       15.07004  
1 1 1 40 27 5  o 76.06436 6.340938  61.80684       6.642413  46.43970       13.28483  77.17397       13.28483  65.96296 10.06991  86.16576 7.708878  -20.20280      12.68188  
1 1 1 40 27 6  f 62.24387 8.128675  43.67601       6.894957  42.45617       13.78991  44.89585       13.78991  61.25841 11.67502  63.22933 11.31350  -1.970921      16.25735  
1 1 1 40 27 7  o 51.24789 9.781669  31.29653       7.338103  25.85490       14.67621  36.73817       14.67621  46.58436 14.34692  55.91142 13.30000  -9.327065      19.56334  
1 1 1 40 27 8  f 53.69823 8.857463  34.07929       7.604944  11.36929       15.20989  56.78930       15.20989  35.57641 14.20191  71.82006 10.58888  -36.24365      17.71493  
1 1 1 40 27 9  o 39.80497 14.61996  18.45962       15.26707  18.45962       15.26707  ?              ?         39.80497 14.61996  ?        ?         ?              ?         
1 1 1 40 27 10 o 53.72173 13.92146  36.09966       15.07647  36.09966       15.07647  ?              ?         53.72173 13.92146  ?        ?         ?              ?         
1 1 1 40 28 0  o 123.9344 7.127470  157.6358       17.54474  157.6358       17.54474  157.6358       17.54474  123.9344 7.127470  123.9344 7.127470  0.000000       0.000000  
1 1 1 40 28 1  o 90.04053 4.980746  83.75444       6.337452  87.41872       12.67490  80.09016       12.67490  92.07532 6.882901  88.00573 7.201182  4.069588       9.961493  
1 1 1 40 28 2  o 78.71671 5.585342  64.68014       6.189737  71.47503       12.37947  57.88525       12.37947  83.03275 7.454575  74.40066 8.319466  8.632088       11.17068  
1 1 1 40 28 3  o 48.65517 7.882657  25.19733       6.661473  0.1810701      13.32295  50.21359       13.32295  28.54197 12.43827  68.76836 9.686829  -40.22639      15.76531  
1 1 1 40 28 4  o 49.56635 9.191480  28.32317       7.037908  42.32275       14.07582  14.32360       14.07582  61.34043 11.89814  37.79227 14.01312  23.54816       18.38296  
1 1 1 40 28 5  o 78.87556 6.425926  67.23895       6.961668  49.90863       13.92334  84.56925       13.92334  67.88970 10.25438  89.86141 7.747116  -21.97171      12.85185  
1 1 1 40 28 6  o 79.74083 5.985404  67.30566       6.718653  74.36262       13.43731  60.24869       13.43731  84.16576 7.982643  75.31589 8.920631  8.849876       11.97081  
1 1 1 40 28 7  o 33.48506 9.033008  0.5146213      7.571588  25.08297       15.14318  -24.05373      15.14318  45.38213 14.66416  21.58800 10.55193  23.79413       18.06602  
1 1 1 40 28 8  o 37.90502 14.94699  14.64762       16.65845  14.64762       16.65845  ?              ?         37.90502 14.94699  ?        ?         ?              ?         
1 1 1 40 28 9  f 36.57146 14.76713  12.80832       16.70610  12.80832       16.70610  ?              ?         36.57146 14.76713  ?        ?         ?              ?         
1 1 1 40 29 0  o 16.44391 11.89275  -25.54041      18.06889  -25.54041      18.06889  -25.54041      18.06889  16.44391 11.89275  16.44391 11.89275  0.000000       0.000000  
1 1 1 40 29 1  o 46.44091 7.595524  21.99049       6.375573  -2.992421      12.75115  46.97339       12.75115  26.37357 11.78448  66.50826 9.586137  -40.13470      15.19105  
1 1 1 40 29 2  o 28.96226 8.685766  1.038770       6.437518  8.472174       12.87504  -6.394632      12.87504  32.96478 13.09560  24.95974 11.41383  8.005039       17.37153  
1 1 1 40 29 3  o 27.18739 8.480211  -0.9244104     6.361277  -1.048300      12.72255  -0.8005202     12.72255  27.12487 11.97545  27.24991 12.01018  -0.1250458     16.96042  
1 1 1 40 29 4  o 63.65088 8.166775  48.62685       7.028378  77.64095       14.05676  19.61275       14.05676  85.86722 8.185170  41.43455 14.13463  44.43267       16.33355  
1 1 1 40 29 5  f 78.89308 6.421125  66.32406       7.161798  64.48000       14.32360  68.16811       14.32360  77.72438 9.214353  80.06179 8.945338  -2.337410      12.84225  
1 1 1 40 29 6  o 73.54592 7.156723  59.10032       7.433403  55.81723       14.86681  62.38340       14.86681  71.31393 10.42349  75.77792 9.809459  -4.463989      14.31345  
1 1 1 40 29 7  o 101.4266 5.612509  109.6522       7.962319  92.03124       15.92464  127.2732       15.92464  92.73998 8.585637  110.1131 7.231035  -17.37314      11.22502  
1 1 1 40 29 8  o 64.31797 8.997017  50.24218       7.976613  31.52525       15.95323  68.95911       15.95323  49.68667 14.88977  78.94926 10.10347  -29.26259      17.99403  
1 1 1 40 30 0  o 55.29253 19.20322  43.55212       19.13625  43.55212       19.13625  43.55212       19.13625  55.29253 19.20322  55.29253 19.20322  0.000000       0.000000  
1 1 1 40 30 1  o 32.01611 9.221326  6.394632       6.723418  1.162660       13.44684  11.62661       13.44684  28.84927 12.53323  35.18295 13.52958  -6.333673      18.44265  
1 1 1 40 30 2  o 91.37755 5.483197  87.44731       7.085558  86.66586       14.17112  88.22878       14.17112  90.94995 7.790612  91.80515 7.718040  -0.8552017     10.96639  
1 1 1 40 30 3  o 75.38086 6.705836  60.89673       7.128443  55.95065       14.25689  65.84280       14.25689  72.10014 9.886866  78.66158 9.062165  -6.561447      13.41167  
1 1 1 40 30 4  o 50.85823 9.215939  30.67232       6.728183  25.07344       13.45637  36.27120       13.45637  45.86027 13.66123  55.85618 12.37355  -9.995911      18.43188  
1 1 1 40 30 5  o 51.13384 7.709538  27.63225       7.390518  -7.948023      14.78104  63.21251       14.78104  25.91757 12.00208  76.35011 9.679774  -50.43254      15.41908  
1 1 1 40 30 6  o 40.77605 14.98419  19.24108       16.03900  19.24108       16.03900  ?              ?         40.77605 14.98419  ?        ?         ?              ?         
1 1 1 40 30 7  o 89.07106 6.565223  86.62774       8.238688  94.59482       16.47738  78.66065       16.47738  93.54337 8.807345  84.59874 9.738547  8.944633       13.13045  
1 1 1 40 30 8  o 29.18470 13.30295  -3.192551      17.27790  -3.192551      17.27790  ?              ?         29.18470 13.30295  ?        ?         ?              ?         
1 1 1 40 31 0  o 53.05748 20.01370  42.07497       19.80335  42.07497       19.80335  42.07497       19.80335  53.05748 20.01370  53.05748 20.01370  0.000000       0.000000  
1 1 1 40 31 1  o 44.62274 8.533135  20.51810       7.009318  43.39011       14.01864  -2.353911      14.01864  61.66035 11.78878  27.58514 12.34027  34.07521       17.06627  
1 1 1 40 31 2  o 29.30554 9.089033  0.5860952      7.247568  2.201431       14.49514  -1.029240      14.49514  30.07621 13.03860  28.53488 12.66637  1.541336       18.17807  
1 1 1 40 31 3  o 56.02427 8.952136  37.08124       6.952137  31.67773       13.90427  42.48476       13.90427  51.33271 13.40064  60.71583 11.87375  -9.383114      17.90427  
1 1 1 40 31 4  o 41.19223 10.11820  19.18390       7.495348  11.29305       14.99070  27.07474       14.99070  35.40360 14.10978  46.98086 14.50608  -11.57726      20.23641  
1 1 1 40 31 5  o 53.18022 9.557752  35.01800       7.976613  15.98182       15.95323  54.05418       15.95323  38.36192 14.74042  67.99852 12.17056  -29.63660      19.11550  
1 1 1 40 31 6  o 36.58961 14.31579  13.83757       15.19082  13.83757       15.19082  ?              ?         36.58961 14.31579  ?        ?         ?              ?         
1 1 1 40 31 7  o 86.91675 6.895752  83.87833       8.419759  73.80035       16.83952  93.95631       16.83952  81.11926 10.37948  92.71424 9.081408  -11.59498      13.79150  
1 1 1 40 32 0  o 17.99612 13.00723  -27.88479      21.44251  -27.88479      21.44251  -27.88479      21.44251  17.99612 13.00723  17.99612 13.00723  0.000000       0.000000  
1 1 1 40 32 1  o 47.06799 9.897169  26.56488       7.557293  15.04788       15.11459  38.08190       15.11459  37.88996 14.40885  56.24603 13.57206  -18.35608      19.79434  
1 1 1 40 32 2  o 34.79538 9.874547  10.52589       7.419108  9.253633       14.83822  11.79815       14.83822  34.00984 13.84582  35.58091 14.08261  -1.571068      19.74909  
1 1 1 40 32 3  o 53.48338 9.142106  34.46526       7.571588  51.98617       15.14318  16.94435       15.14318  68.07384 11.12261  38.89292 14.51206  29.18092       18.28421  
1 1 1 40 32 4  o 81.41078 6.495088  72.22791       7.457228  77.92684       14.91446  66.52895       14.91446  84.91090 8.782415  77.91067 9.571511  7.000237       12.99018  
1 1 1 40 32 5  o 25.92540 12.21264  -11.99827      16.59174  -11.99827      16.59174  ?              ?         25.92540 12.21264  ?        ?         ?              ?         
1 1 1 40 32 6  o 34.08266 14.51300  8.395933       17.38272  8.395933       17.38272  ?              ?         34.08266 14.51300  ?        ?         ?              ?         
1 1 1 40 32 7  o 30.34497 13.45653  5.822832       16.30584  5.822832       16.30584  ?              ?         30.34497 13.45653  ?        ?         ?              ?         
1 1 1 40 33 1  o 42.53833 14.65345  22.31927       15.12411  22.31927       15.12411  ?              ?         42.53833 14.65345  ?        ?         ?              ?         
1 1 1 40 33 2  o 49.49221 14.71342  31.15358       15.61968  31.15358       15.61968  ?              ?         49.49221 14.71342  ?        ?         ?              ?         
1 1 1 40 33 3  o 25.82848 12.09626  -9.606244      15.62921  -9.606244      15.62921  ?              ?         25.82848 12.09626  ?        ?         ?              ?         
1 1 1 40 33 4  o 80.59862 7.211115  72.90929       8.033793  88.92446       16.06759  56.89412       16.06759  90.53375 8.873811  70.66348 11.36909  19.87028       14.42223  
1 1 1 40 33 5  o 39.36627 15.30178  19.08860       17.29696  19.08860       17.29696  ?              ?         39.36627 15.30178  ?        ?         ?              ?         
1 1 1 40 34 1  o 60.89376 9.272531  46.15381       8.181508  25.02579       16.36302  67.28183       16.36302  44.31812 15.24420  77.46939 10.56096  -33.15127      18.54506  
1 1 1 40 34 2  o 47.60880 15.32672  29.78126       16.55362  29.78126       16.55362  ?              ?         47.60880 15.32672  ?        ?         ?              ?         
1 1 1 40 34 3  o 36.79137 14.99161  14.45702       17.41132  14.45702       17.41132  ?              ?         36.79137 14.99161  ?        ?         ?              ?         
1 1 1 41 0  1  o 128.9283 4.215778  167.0705       10.84515  167.0705       10.84515  167.0705       10.84515  128.9283 4.215778  128.9283 4.215778  0.000000       0.000000  
1 1 1 41 0  2  o 17.31234 11.27632  -0.5718002E-01 9.148804  -0.5718002E-01 9.148804  -0.5718002E-01 9.148804  17.31234 11.27632  17.31234 11.27632  0.000000       0.000000  
1 1 1 41 0  3  o 128.1350 3.894000  164.9358       9.958854  164.9358       9.958854  164.9358       9.958854  128.1350 3.894000  128.1350 3.894000  0.000000       0.000000  
1 1 1 41 0  4  o 175.0745 3.920899  307.6190       13.71367  307.6190       13.71367  307.6190       13.71367  175.0745 3.920899  175.0745 3.920899  0.000000       0.000000  
1 1 1 41 0  5  o 70.56951 9.772983  51.91946       13.50401  51.91946       13.50401  51.91946       13.50401  70.56951 9.772983  70.56951 9.772983  0.000000       0.000000  
1 1 1 41 0  6  o 41.11120 16.79695  24.33010       13.53261  24.33010       13.53261  24.33010       13.53261  41.11120 16.79695  41.11120 16.79695  0.000000       0.000000  
1 1 1 41 0  7  o 43.28036 17.34514  26.91273       14.51420  26.91273       14.51420  26.91273       14.51420  43.28036 17.34514  43.28036 17.34514  0.000000       0.000000  
1 1 1 41 0  8  o 142.8465 6.017414  206.4961       17.12542  206.4961       17.12542  206.4961       17.12542  142.8465 6.017414  142.8465 6.017414  0.000000       0.000000  
1 1 1 41 0  9  o 173.9079 5.544360  305.1412       19.24108  305.1412       19.24108  305.1412       19.24108  173.9079 5.544360  173.9079 5.544360  0.000000       0.000000  
1 1 1 41 0  10 o 102.1452 7.185701  107.1935       14.53326  107.1935       14.53326  107.1935       14.53326  102.1452 7.185701  102.1452 7.185701  0.000000       0.000000  
1 1 1 41 0  11 o 67.63507 17.18601  56.18890       20.07019  56.18890       20.07019  56.18890       20.07019  67.63507 17.18601  67.63507 17.18601  0.000000       0.000000  
1 1 1 41 0  12 o 38.00515 20.73719  23.77736       22.07149  23.77736       22.07149  23.77736       22.07149  38.00515 20.73719  38.00515 20.73719  0.000000       0.000000  
1 1 1 41 0  13 o 29.11242 18.34597  8.643713       22.03337  8.643713       22.03337  8.643713       22.03337  29.11242 18.34597  29.11242 18.34597  0.000000       0.000000  
1 1 1 41 0  14 o 48.14069 23.25708  40.73124       25.84537  40.73124       25.84537  40.73124       25.84537  48.14069 23.25708  48.14069 23.25708  0.000000       0.000000  
1 1 1 41 1  0  f 113.0330 4.649963  128.7027       10.47347  128.7027       10.47347  128.7027       10.47347  113.0330 4.649963  113.0330 4.649963  0.000000       0.000000  
1 1 1 41 1  1  o 152.0552 1.901090  231.7316       4.083606  219.2473       8.167212  244.2159       8.167212  147.9500 2.760127  156.1604 2.615009  -8.210373      3.802180  
1 1 1 41 1  2  o 180.2677 1.800160  325.4544       4.588697  319.4934       9.177394  331.4154       9.177394  178.6143 2.569053  181.9211 2.522356  -3.306747      3.600321  
1 1 1 41 1  3  o 106.9990 2.206753  115.1653       3.321206  101.4088       6.642413  128.9219       6.642413  100.5707 3.302360  113.4274 2.928046  -12.85672      4.413506  
1 1 1 41 1  4  o 57.49782 5.136038  33.69809       4.145552  29.05698       8.291104  38.33920       8.291104  53.46192 7.754214  61.53372 6.737040  -8.071804      10.27208  
1 1 1 41 1  5  o 161.3856 2.411453  261.5271       5.498813  274.2640       10.99763  248.7903       10.99763  165.3316 3.325929  157.4395 3.492652  7.892166       4.822906  
1 1 1 41 1  6  o 118.9968 3.090201  142.7118       5.184323  129.8463       10.36865  155.5773       10.36865  113.5909 4.564028  124.4026 4.167375  -10.81165      6.180401  
1 1 1 41 1  7  o 30.10080 7.406672  3.454626       4.874598  17.57333       9.749194  -10.66407      9.749194  40.42228 11.50564  19.77932 9.330346  20.64295       14.81334  
1 1 1 41 1  8  o 37.79445 5.904746  10.25428       4.617287  33.95540       9.234573  -13.44684      9.234573  57.58727 8.017895  18.00164 8.670494  39.58563       11.80949  
1 1 1 41 1  9  o 153.6184 2.861137  237.5306       6.213562  230.2258       12.42712  244.8353       12.42712  151.2408 4.108391  155.9959 3.983157  -4.755127      5.722274  
1 1 1 41 1  10 o 42.70605 9.175901  19.58892       6.356512  28.09445       12.71302  11.08340       12.71302  50.09311 12.67320  35.31898 13.27323  14.77412       18.35180  
1 1 1 41 1  11 o 74.55672 7.044349  58.31886       7.423873  60.32492       14.84775  56.31279       14.84775  75.90205 9.780860  73.21140 10.14032  2.690651       14.08870  
1 1 1 41 1  12 o 70.32986 7.025951  53.14883       6.694828  63.92726       13.38966  42.37040       13.38966  78.42072 8.537065  62.23901 11.16129  16.18171       14.05190  
1 1 1 41 1  13 f 46.75000 10.62123  25.37364       8.005203  28.41847       16.01041  22.32880       16.01041  49.11943 14.95617  44.38057 15.08493  4.738865       21.24246  
1 1 1 41 1  14 o 49.01788 16.54928  29.51442       19.26967  29.51442       19.26967  ?              ?         49.01788 16.54928  ?        ?         ?              ?         
1 1 1 41 1  15 o 41.41784 16.03828  19.19343       18.96471  19.19343       18.96471  ?              ?         41.41784 16.03828  ?        ?         ?              ?         
1 1 1 41 2  0  o 136.1949 4.386829  186.4450       11.92203  186.4450       11.92203  186.4450       11.92203  136.1949 4.386829  136.1949 4.386829  0.000000       0.000000  
1 1 1 41 2  1  o 188.2898 1.782844  355.3215       4.741177  376.2731       9.482354  334.3697       9.482354  193.8535 2.445753  182.7261 2.594691  11.12737       3.565688  
1 1 1 41 2  2  o 110.0100 2.281154  121.6028       3.535631  109.4807       7.071262  133.7250       7.071262  104.5004 3.383366  115.5196 3.060634  -11.01914      4.562307  
1 1 1 41 2  3  o 42.88562 4.887122  18.95041       2.878061  21.33768       5.756122  16.56315       5.756122  45.97443 6.260136  39.79682 7.506434  6.177605       9.774244  
1 1 1 41 2  4  o 58.63556 5.300409  35.26578       4.326622  28.22787       8.653244  42.30368       8.653244  52.63416 8.220179  64.63696 6.693728  -12.00280      10.60082  
1 1 1 41 2  5  o 151.5154 2.611069  230.9263       5.579817  211.4708       11.15963  250.3818       11.15963  145.0950 3.845629  157.9357 3.532969  -12.84062      5.222138  
1 1 1 41 2  6  o 81.02483 4.123738  66.44795       4.712587  60.89672       9.425174  71.99918       9.425174  77.59920 6.072984  84.45047 5.580297  -6.851273      8.247476  
1 1 1 41 2  7  o 48.52591 6.978374  25.93590       4.817417  11.10245       9.634833  40.76936       9.634833  33.84290 11.69208  63.20893 7.621418  -29.36603      13.95675  
1 1 1 41 2  8  o 109.1373 3.920284  120.5260       6.046787  115.5799       12.09357  125.4720       12.09357  106.8713 5.658010  111.4032 5.427838  -4.531967      7.840569  
1 1 1 41 2  9  o 67.98074 5.765965  47.51183       5.522637  42.89455       11.04527  52.12912       11.04527  64.58472 8.550998  71.37677 7.737303  -6.792053      11.53193  
1 1 1 41 2  10 o 121.3591 3.276581  148.9587       5.617938  156.5398       11.23588  141.3776       11.23588  124.4826 4.513031  118.2357 4.751472  6.246849       6.553163  
1 1 1 41 2  11 o 54.82339 8.948452  33.73621       6.861602  41.14103       13.72320  26.33140       13.72320  61.29275 11.61630  48.35405 13.61473  12.93870       17.89690  
1 1 1 41 2  12 o 139.6455 4.649440  200.2302       9.134509  223.1832       18.26902  177.2771       18.26902  147.8638 6.177649  131.4272 6.950241  16.43661       9.298881  
1 1 1 41 2  13 o 166.0441 3.328542  279.8772       7.809838  292.6664       15.61968  267.0879       15.61968  169.8953 4.596854  162.1929 4.815153  7.702332       6.657083  
1 1 1 41 2  14 o 26.93946 8.798331  -13.28483      8.248219  -28.45659      16.49644  1.886941       16.49644  22.12830 10.86910  31.75061 13.83854  -9.622307      17.59666  
1 1 1 41 2  15 o 38.61418 15.01179  15.68639       16.64892  15.68639       16.64892  ?              ?         38.61418 15.01179  ?        ?         ?              ?         
1 1 1 41 3  0  o 233.7396 3.873668  547.6703       18.09748  547.6703       18.09748  547.6703       18.09748  233.7396 3.873668  233.7396 3.873668  0.000000       0.000000  
1 1 1 41 3  1  o 101.4862 2.536099  103.5387       3.626166  93.20344       7.252333  113.8740       7.252333  96.39427 3.761807  106.5782 3.402353  -10.18393      5.072198  
1 1 1 41 3  2  o 87.12009 2.714087  76.34962       3.330736  68.55885       6.661473  84.14041       6.661473  82.64880 4.029988  91.59137 3.636518  -8.942574      5.428173  
1 1 1 41 3  3  o 21.07265 6.085764  0.5241501      3.054366  -3.707171      6.108732  4.755472       6.108732  17.48075 7.952482  24.66456 9.214343  -7.183811      12.17153  
1 1 1 41 3  4  f 40.14783 7.000784  17.25884       4.059782  11.40741       8.119563  23.11026       8.119563  33.49701 10.72924  46.79865 8.995967  -13.30164      14.00157  
1 1 1 41 3  5  o 107.5351 3.195657  116.4948       4.850772  108.3180       9.701544  124.6715       9.701544  103.7332 4.676201  111.3370 4.356839  -7.603790      6.391315  
1 1 1 41 3  6  o 94.35156 3.837081  89.86317       5.117613  92.96519       10.23522  86.76116       10.23522  95.99541 5.331100  92.70770 5.520158  3.287712       7.674163  
1 1 1 41 3  7  o 138.6537 2.923514  193.4114       5.732297  195.6986       11.46459  191.1242       11.46459  139.4785 4.109807  137.8289 4.158994  1.649582       5.847029  
1 1 1 41 3  8  o 126.3737 3.245482  161.0761       5.794242  152.6421       11.58848  169.5102       11.58848  123.0367 4.709359  129.7106 4.467052  -6.673904      6.490964  
1 1 1 41 3  9  o 113.1658 4.257178  131.9572       6.642413  98.68319       13.28483  165.2312       13.28483  98.46439 6.746006  127.8673 5.194772  -29.40288      8.514356  
1 1 1 41 3  10 o 30.83921 8.599902  5.298683       5.803772  -1.486681      11.60754  12.08405       11.60754  26.22335 11.51711  35.45507 12.77456  -9.231718      17.19980  
1 1 1 41 3  11 o 24.80114 8.116323  -11.59801      6.933078  -20.16549      13.86616  -3.030541      13.86616  21.72296 10.49891  27.87932 12.38029  -6.156361      16.23265  
1 1 1 41 3  12 o 24.42836 8.157442  -19.84623      7.738363  -35.59456      15.47673  -4.097902      15.47673  19.98906 9.938035  28.86765 12.93874  -8.878590      16.31488  
1 1 1 41 3  13 o 43.05347 10.76254  16.32013       9.372760  35.51833       18.74552  -2.878061      18.74552  54.22329 16.11829  31.88366 14.26638  22.33963       21.52507  
1 1 1 41 3  14 o 84.83159 7.836034  79.61841       9.191689  97.22510       18.38338  62.01174       18.38338  95.20902 9.654220  74.45415 12.34543  20.75487       15.67207  
1 1 1 41 3  15 o 119.5008 5.798603  153.5999       9.611010  186.0733       19.22202  121.1264       19.22202  133.0879 7.221549  105.9136 9.074383  27.17430       11.59721  
1 1 1 41 4  0  o 162.7471 4.028350  265.8204       13.09423  265.8204       13.09423  265.8204       13.09423  162.7471 4.028350  162.7471 4.028350  0.000000       0.000000  
1 1 1 41 4  1  o 89.82483 2.628643  80.99074       3.335501  85.37930       6.671002  76.60217       6.671002  92.26768 3.615027  87.38198 3.817150  4.885696       5.257286  
1 1 1 41 4  2  o 42.31732 5.551460  19.27920       3.168726  10.74985       6.337452  27.80855       6.337452  32.12263 9.319988  52.51200 6.034290  -20.38937      11.10292  
1 1 1 41 4  3  o 77.42979 3.031853  61.02062       3.254497  47.22117       6.508993  74.82005       6.508993  68.51884 4.749783  86.34073 3.769364  -17.82188      6.063707  
1 1 1 41 4  4  o 96.41301 2.809335  93.45122       3.826297  98.47353       7.652593  88.42891       7.652593  99.01759 3.864260  93.80843 4.078841  5.209160       5.618670  
1 1 1 41 4  5  o 122.8321 3.160016  151.7844       5.489282  151.5175       10.97856  152.0512       10.97856  122.7234 4.472888  122.9407 4.464984  -0.2172394     6.320033  
1 1 1 41 4  6  o 138.8296 2.785259  194.0881       5.451162  211.7853       10.90232  176.3909       10.90232  145.2033 3.754158  132.4559 4.115455  12.74744       5.570518  
1 1 1 41 4  7  o 55.80418 5.998681  31.93981       4.731647  33.09770       9.463295  30.78192       9.463295  56.84164 8.324262  54.76672 8.639639  2.074921       11.99736  
1 1 1 41 4  8  f 64.24586 5.852247  42.68488       5.246267  50.48996       10.49253  34.87981       10.49253  70.32024 7.460536  58.17149 9.018623  12.14875       11.70449  
1 1 1 41 4  9  o 79.51861 5.154520  64.65632       5.784712  69.33078       11.56942  59.98185       11.56942  82.45784 7.015358  76.57938 7.553877  5.878464       10.30904  
1 1 1 41 4  10 o 54.51170 9.260137  33.47414       7.076028  37.41479       14.15206  29.53348       14.15206  57.93727 12.56646  51.08612 13.60457  6.851154       18.52027  
1 1 1 41 4  11 o 40.56760 9.597623  17.49232       6.485168  16.05806       12.97034  18.92659       12.97034  39.35536 13.56876  41.77983 13.57742  -2.424465      19.19525  
1 1 1 41 4  12 o 100.8637 5.071539  106.1976       7.056968  80.07109       14.11394  132.3241       14.11394  87.91228 8.027285  113.8151 6.200381  -25.90279      10.14308  
1 1 1 41 4  13 f 34.80439 9.860790  7.900374       7.633533  0.3049601      15.26707  15.49579       15.26707  30.37308 13.27481  39.23570 14.58493  -8.862623      19.72158  
1 1 1 41 4  14 o 74.69514 8.960981  63.90345       9.105919  76.16380       18.21184  51.64310       18.21184  83.47630 10.90839  65.91397 14.21984  17.56233       17.92196  
1 1 1 41 4  15 o 42.92868 16.51856  21.89042       20.05113  21.89042       20.05113  ?              ?         42.92868 16.51856  ?        ?         ?              ?         
1 1 1 41 5  0  o 22.13016 12.47436  6.804423       8.310163  6.804423       8.310163  6.804423       8.310163  22.13016 12.47436  22.13016 12.47436  0.000000       0.000000  
1 1 1 41 5  1  o 165.7070 1.996772  276.2081       4.650642  241.0519       9.301284  311.3643       9.301284  155.0991 2.998497  176.3150 2.637690  -21.21587      3.993544  
1 1 1 41 5  2  o 100.9410 2.477147  102.2951       3.530867  108.7469       7.061733  95.84325       7.061733  104.1368 3.390603  97.74516 3.612318  6.391670       4.954294  
1 1 1 41 5  3  o 101.5936 2.384634  103.7198       3.416506  112.6542       6.833013  94.78542       6.833013  105.9907 3.223403  97.19643 3.515053  8.794243       4.769269  
1 1 1 41 5  4  o 137.3014 2.308771  189.2278       4.479102  198.3289       8.958203  180.1266       8.958203  140.6157 3.185351  133.9870 3.342937  6.628616       4.617541  
1 1 1 41 5  5  o 300.0493 2.439251  904.1019       10.34005  857.2430       20.68011  950.9609       20.68011  292.2407 3.538198  307.8578 3.358711  -15.61710      4.878502  
1 1 1 41 5  6  o 207.3406 2.386401  431.6091       6.995024  444.8129       13.99005  418.4053       13.99005  210.5247 3.322662  204.1565 3.426305  6.368164       4.772803  
1 1 1 41 5  7  o 62.73336 6.112595  40.39292       5.422573  40.95996       10.84515  39.82589       10.84515  63.18530 8.582016  62.28142 8.706565  0.9038773      12.22519  
1 1 1 41 5  8  o 43.17884 7.865376  20.24649       4.955602  26.46482       9.911204  14.02816       9.911204  49.59730 10.33195  36.76038 11.86201  12.83691       15.73075  
1 1 1 41 5  9  o 119.9310 3.556924  145.7042       6.008667  130.8279       12.01733  160.5806       12.01733  113.7290 5.283322  126.1330 4.763754  -12.40407      7.113849  
1 1 1 41 5  10 o 106.9507 4.221490  116.7997       6.351747  130.3037       12.70349  103.2957       12.70349  113.2639 5.607918  100.6375 6.311510  12.62640       8.442980  
1 1 1 41 5  11 o 85.04700 5.868537  75.14884       7.009318  65.29005       14.01864  85.00764       14.01864  79.25092 8.844462  90.84309 7.715852  -11.59216      11.73707  
1 1 1 41 5  12 o 31.76942 9.377211  4.298032       7.071262  7.109383       14.14252  1.486681       14.14252  33.35872 13.53864  30.18012 12.97819  3.178600       18.75442  
1 1 1 41 5  13 o 123.1873 4.781960  157.0449       8.267279  178.7162       16.53456  135.3737       16.53456  131.9833 6.263881  114.3912 7.227197  17.59212       9.563921  
1 1 1 41 5  14 o 66.37206 9.125798  53.32991       8.462644  23.87266       16.92529  82.78715       16.92529  44.93821 15.49941  87.80589 9.637899  -42.86768      18.25160  
1 1 1 41 5  15 o 83.45867 8.888167  81.86750       10.01603  65.42348       20.03207  98.31152       20.03207  73.05865 14.21687  93.85870 10.67140  -20.80005      17.77633  
1 1 1 41 6  0  f 115.1803 4.741844  133.6869       10.88326  133.6869       10.88326  133.6869       10.88326  115.1803 4.741844  115.1803 4.741844  0.000000       0.000000  
1 1 1 41 6  1  o 156.3101 2.034877  245.1593       4.488632  263.5808       8.977263  226.7379       8.977263  162.2027 2.767298  150.4174 2.984117  11.78523       4.069754  
1 1 1 41 6  2  o 69.88263 3.450897  49.66085       3.354562  59.90561       6.709123  39.41610       6.709123  77.21260 4.344578  62.55266 5.362780  14.65994       6.901794  
1 1 1 41 6  3  f 189.4626 1.876210  359.6766       5.027077  357.7945       10.05415  361.5588       10.05415  188.9659 2.660310  189.9593 2.646397  -0.9934387     3.752421  
1 1 1 41 6  4  o 61.82554 4.665117  38.87289       4.055017  43.65695       8.110033  34.08883       8.110033  65.69454 6.172533  57.95654 6.996651  7.738003       9.330235  
1 1 1 41 6  5  o 171.3627 2.524346  296.4117       6.065848  340.5833       12.13170  252.2401       12.13170  184.2510 3.292166  158.4743 3.827653  25.77667       5.048691  
1 1 1 41 6  6  o 44.38344 7.301076  20.91359       4.998487  34.09835       9.996975  7.728833       9.996975  57.66149 8.668675  31.10539 11.75061  26.55610       14.60215  
1 1 1 41 6  7  o 55.75672 6.812425  33.02623       5.155732  40.59781       10.31146  25.45464       10.31146  62.97167 8.187384  48.54177 10.89051  14.42989       13.62485  
1 1 1 41 6  8  o 83.62294 4.906193  72.47091       5.636997  53.10118       11.27399  91.84065       11.27399  72.04135 7.824669  95.20453 5.920934  -23.16318      9.812386  
1 1 1 41 6  9  o 36.98058 9.190443  13.17999       6.056317  17.17307       12.11263  9.186924       12.11263  40.27898 13.12082  33.68219 12.87249  6.596794       18.38089  
1 1 1 41 6  10 o 42.12178 10.16718  18.70740       7.319043  15.50532       14.63809  21.90948       14.63809  39.63533 14.33916  44.60823 14.41788  -4.972893      20.33437  
1 1 1 41 6  11 o 46.42358 8.478472  23.76783       6.108732  10.51159       12.21746  37.02407       12.21746  34.53703 13.00552  58.31012 10.88092  -23.77309      16.95694  
1 1 1 41 6  12 o 102.4827 4.910193  108.2990       7.085558  96.98685       14.17112  119.6111       14.17112  96.96371 7.307433  108.0018 6.560594  -11.03807      9.820386  
1 1 1 41 6  13 o 36.55998 10.87766  5.517873       9.873084  -4.698292      19.74617  15.73404       19.74617  31.94366 14.45152  41.17630 16.26184  -9.232641      21.75532  
1 1 1 41 6  14 o 55.52956 15.47059  38.22485       17.81158  38.22485       17.81158  ?              ?         55.52956 15.47059  ?        ?         ?              ?         
1 1 1 41 6  15 o 101.0632 5.666005  109.1424       8.071913  99.64572       16.14383  118.6390       16.14383  96.36481 8.376411  105.7616 7.632181  -9.396751      11.33201  
1 1 1 41 7  0  o 71.48451 7.176980  52.94870       10.07321  52.94870       10.07321  52.94870       10.07321  71.48451 7.176980  71.48451 7.176980  0.000000       0.000000  
1 1 1 41 7  1  o 56.70351 4.478275  33.00240       3.502276  41.30303       7.004553  24.70177       7.004553  64.02284 5.470355  49.38419 7.091898  14.63865       8.956551  
1 1 1 41 7  2  o 110.9901 2.608430  123.7614       4.088372  116.1136       8.176744  131.4092       8.176744  107.5448 3.801553  114.4353 3.572648  -6.890556      5.216859  
1 1 1 41 7  3  o 111.7228 2.310292  125.2195       3.649991  123.4707       7.299983  126.9682       7.299983  110.9402 3.290053  112.5055 3.244279  -1.565277      4.620584  
1 1 1 41 7  4  o 96.68634 2.522259  93.90866       3.445096  88.89588       6.890193  98.92145       6.890193  94.09406 3.661333  99.27863 3.470129  -5.184578      5.044518  
1 1 1 41 7  5  o 96.38618 3.313851  93.65135       4.507692  86.71351       9.015384  100.5892       9.015384  92.78720 4.858097  99.98516 4.508361  -7.197960      6.627701  
1 1 1 41 7  6  o 262.7556 2.415809  693.6842       8.967733  657.5226       17.93547  729.8458       17.93547  255.8744 3.504740  269.6368 3.325856  -13.76241      4.831617  
1 1 1 41 7  7  o 111.5759 3.501160  125.7627       5.513107  116.5043       11.02621  135.0211       11.02621  107.4270 5.131958  115.7248 4.763979  -8.297852      7.002320  
1 1 1 41 7  8  o 122.8453 3.251396  152.2323       5.641763  160.8284       11.28353  143.6362       11.28353  126.3440 4.465397  119.3465 4.727211  6.997475       6.502791  
1 1 1 41 7  9  o 77.29648 5.644086  61.56859       6.151618  66.86251       12.30324  56.27467       12.30324  80.72090 7.620849  73.87206 8.327394  6.848839       11.28817  
1 1 1 41 7  10 o 91.94560 5.296096  87.11376       6.852073  77.33598       13.70415  96.89156       13.70415  86.62844 7.909727  97.26276 7.044909  -10.63432      10.59219  
1 1 1 41 7  11 o 46.81062 9.100698  24.51593       6.389868  31.71585       12.77974  17.31602       12.77974  53.34105 12.23330  40.28019 13.47728  13.06086       18.20140  
1 1 1 41 7  12 f 127.7716 4.288149  167.1944       7.728833  153.7476       15.45767  180.6412       15.45767  122.5095 6.308761  133.0336 5.809684  -10.52411      8.576299  
1 1 1 41 7  13 o 120.3765 4.607007  149.5734       7.809838  134.2015       15.61968  164.9453       15.61968  113.9916 6.851239  126.7615 6.161051  -12.76984      9.214013  
1 1 1 41 7  14 o 81.70614 8.247691  74.53416       9.530005  74.03860       19.06001  75.02972       19.06001  81.40289 11.70721  82.00939 11.62063  -0.6065063     16.49538  
1 1 1 41 8  0  o 129.3385 4.566033  168.3761       11.77909  168.3761       11.77909  168.3761       11.77909  129.3385 4.566033  129.3385 4.566033  0.000000       0.000000  
1 1 1 41 8  1  o 107.6753 2.619684  116.5758       3.978776  126.2344       7.957553  106.9171       7.957553  112.1604 3.547398  103.1903 3.855767  8.970161       5.239368  
1 1 1 41 8  2  f 83.69635 3.132015  70.50773       3.702406  66.39554       7.404812  74.61993       7.404812  81.23974 4.557384  86.15297 4.297480  -4.913231      6.264030  
1 1 1 41 8  3  f 148.5613 1.941923  221.2486       4.078841  227.1381       8.157682  215.3590       8.157682  150.5435 2.709410  146.5791 2.782689  3.964371       3.883846  
1 1 1 41 8  4  o 105.3639 2.467472  111.4772       3.673816  106.3930       7.347633  116.5615       7.347633  102.9512 3.568503  107.7766 3.408732  -4.825432      4.934944  
1 1 1 41 8  5  o 109.9724 3.223549  121.7506       5.012782  119.5444       10.02556  123.9568       10.02556  108.9694 4.600176  110.9755 4.517017  -2.006126      6.447097  
1 1 1 41 8  6  o 119.6834 3.212065  144.4415       5.427337  134.7447       10.85467  154.1383       10.85467  115.6324 4.693613  123.7344 4.386280  -8.102020      6.424130  
1 1 1 41 8  7  o 72.45119 5.066672  53.90170       5.127142  44.34311       10.25428  63.46030       10.25428  65.85461 7.785547  79.04777 6.486132  -13.19315      10.13334  
1 1 1 41 8  8  o 94.21973 4.322378  90.20625       5.741827  98.22575       11.48365  82.18675       11.48365  98.47547 5.830718  89.96399 6.382362  8.511482       8.644756  
1 1 1 41 8  9  o 42.55767 8.686231  19.57463       5.818067  11.31211       11.63613  27.83714       11.63613  34.91094 12.76931  50.20440 11.77910  -15.29346      17.37246  
1 1 1 41 8  10 o 74.47057 5.818458  57.64699       6.061082  48.17417       12.12216  67.11982       12.12216  68.11046 8.898901  80.83068 7.498492  -12.72022      11.63692  
1 1 1 41 8  11 o 58.01801 8.156213  37.74835       6.537583  53.25366       13.07517  22.24303       13.07517  71.42239 9.153409  44.61362 13.50223  26.80877       16.31243  
1 1 1 41 8  12 o 117.5478 5.868893  144.3176       9.744428  152.1942       19.48886  136.4411       19.48886  120.8982 8.060031  114.1974 8.532967  6.700729       11.73779  
1 1 1 41 8  13 o 65.11156 10.53624  51.58115       10.37817  78.18416       20.75635  24.97814       20.75635  83.78629 12.38648  46.43684 17.04771  37.34946       21.07248  
1 1 1 41 8  14 o 63.29692 14.64303  49.03187       18.18325  49.03187       18.18325  ?              ?         63.29692 14.64303  ?        ?         ?              ?         
1 1 1 41 8  15 o 29.68717 13.33992  -1.143600      16.54409  -1.143600      16.54409  ?              ?         29.68717 13.33992  ?        ?         ?              ?         
1 1 1 41 9  0  o 20.05961 12.54065  3.087722       10.04462  3.087722       10.04462  3.087722       10.04462  20.05961 12.54065  20.05961 12.54065  0.000000       0.000000  
1 1 1 41 9  1  o 32.78133 7.050607  10.67360       3.792941  5.165262       7.585882  16.18195       7.585882  26.62882 10.18406  38.93384 9.753421  -12.30502      14.10121  
1 1 1 41 9  2  o 85.52107 3.021906  73.54305       3.654756  74.13390       7.309513  72.95218       7.309513  85.86652 4.256322  85.17563 4.290848  0.6908951      6.043811  
1 1 1 41 9  3  f 36.23124 6.487721  13.93286       3.507041  20.20361       7.014082  7.662123       7.014082  43.81119 8.306102  28.65128 9.968490  15.15991       12.97544  
1 1 1 41 9  4  o 102.0237 2.743102  105.6877       3.893007  83.86404       7.786013  127.5115       7.786013  91.32825 4.262653  112.7191 3.453725  -21.39083      5.486203  
1 1 1 41 9  5  o 147.0396 2.462129  217.1555       5.117613  224.5936       10.23522  209.7173       10.23522  149.5689 3.421575  144.5103 3.541347  5.058609       4.924258  
1 1 1 41 9  6  o 243.9878 2.232444  598.2650       7.685949  552.4162       15.37190  644.1139       15.37190  234.5921 3.276303  253.3835 3.033326  -18.79144      4.464889  
1 1 1 41 9  7  o 135.7839 2.972770  185.6064       5.708472  186.5975       11.41694  184.6152       11.41694  136.1489 4.192817  135.4189 4.215417  0.7299347      5.945541  
1 1 1 41 9  8  o 73.75529 5.650769  56.91319       5.694177  73.38103       11.38835  40.44534       11.38835  84.91914 6.705412  62.59144 9.097374  22.32769       11.30154  
1 1 1 41 9  9  o 33.97005 8.956090  10.20663       5.803772  12.00780       11.60754  8.405463       11.60754  35.40593 12.77281  32.53418 12.55793  2.871742       17.91218  
1 1 1 41 9  10 o 57.40520 8.053565  35.83758       6.404162  42.01779       12.80832  29.65737       12.80832  63.25701 10.12404  51.55340 12.52771  11.70361       16.10713  
1 1 1 41 9  11 o 53.02641 8.717838  31.35848       6.823483  44.78149       13.64697  17.93547       13.64697  65.04779 10.48995  41.00504 13.92709  24.04275       17.43568  
1 1 1 41 9  12 o 97.45914 5.977370  99.50754       8.224394  93.08907       16.44879  105.9260       16.44879  94.16624 8.733909  100.7520 8.163005  -6.585793      11.95474  
1 1 1 41 9  14 o 37.66623 15.10650  13.25624       17.31602  13.25624       17.31602  ?              ?         37.66623 15.10650  ?        ?         ?              ?         
1 1 1 41 9  15 o 42.49575 16.28858  21.75700       19.44121  21.75700       19.44121  ?              ?         42.49575 16.28858  ?        ?         ?              ?         
1 1 1 41 10 0  o 80.81751 7.373308  67.45336       11.73143  67.45336       11.73143  67.45336       11.73143  80.81751 7.373308  80.81751 7.373308  0.000000       0.000000  
1 1 1 41 10 1  o 100.6569 2.782283  101.8090       3.959717  104.2678       7.919433  99.35029       7.919433  101.8783 3.886714  99.43559 3.982193  2.442688       5.564567  
1 1 1 41 10 2  o 116.4971 2.609852  136.8080       4.274207  153.9191       8.548413  119.6968       8.548413  123.8412 3.451362  109.1531 3.915789  14.68803       5.219704  
1 1 1 41 10 3  o 201.0775 1.915305  405.2110       5.446397  402.5378       10.89279  407.8842       10.89279  200.4128 2.717590  201.7422 2.699682  -1.329437      3.830611  
1 1 1 41 10 4  o 78.43048 3.284689  62.01649       3.635697  66.60520       7.271393  57.42780       7.271393  81.35580 4.468884  75.50515 4.815164  5.850655       6.569378  
1 1 1 41 10 5  o 105.2815 3.505121  111.8108       5.217677  114.4553       10.43535  109.1662       10.43535  106.5374 4.897506  104.0255 5.015767  2.511909       7.010241  
1 1 1 41 10 6  o 118.2835 3.122447  140.9011       5.222442  138.2041       10.44488  143.5981       10.44488  117.1434 4.458161  119.4235 4.373043  -2.280113      6.244894  
1 1 1 41 10 7  o 124.2964 3.038863  155.8489       5.327272  142.7023       10.65454  168.9956       10.65454  119.0079 4.476401  129.5848 4.111032  -10.57685      6.077725  
1 1 1 41 10 8  o 53.20831 8.011340  30.61037       5.970548  23.69159       11.94110  37.52915       11.94110  46.37220 12.56392  60.04443 9.943549  -13.67223      16.02268  
1 1 1 41 10 9  o 62.61858 7.578155  42.12738       6.528053  46.80185       13.05611  37.45291       13.05611  66.82941 9.768234  58.40775 11.58859  8.421661       15.15631  
1 1 1 41 10 10 o 21.33565 7.270046  -18.23090      6.523287  -17.13495      13.04657  -19.32685      13.04657  21.66162 10.40206  21.00968 10.15930  0.6519375      14.54009  
1 1 1 41 10 11 o 166.0505 3.270484  279.0099       7.676419  288.8734       15.35284  269.1464       15.35284  169.0205 4.541708  163.0804 4.707137  5.940079       6.540967  
1 1 1 41 10 12 o 72.41788 7.608846  56.46051       7.790778  57.75183       15.58156  55.16920       15.58156  73.30946 10.62725  71.52631 10.89219  1.783142       15.21769  
1 1 1 41 10 13 o 103.7302 7.250371  116.8569       10.57831  129.8177       21.15661  103.8961       21.15661  109.9776 9.618602  97.48285 10.85145  12.49472       14.50074  
1 1 1 41 10 14 o 67.78101 10.05294  55.73623       9.344169  48.42195       18.68834  63.05050       18.68834  62.42625 15.10922  73.13577 13.26490  -10.70952      20.10587  
1 1 1 41 10 15 o 30.45432 13.83304  -2.430151      18.32620  -2.430151      18.32620  ?              ?         30.45432 13.83304  ?        ?         ?              ?         
1 1 1 41 11 0  o 188.4393 4.240292  356.5937       15.96276  356.5937       15.96276  356.5937       15.96276  188.4393 4.240292  188.4393 4.240292  0.000000       0.000000  
1 1 1 41 11 1  o 164.2405 2.037673  270.4710       4.731647  277.7138       9.463295  263.2282       9.463295  166.4454 2.842762  162.0356 2.920129  4.409866       4.075346  
1 1 1 41 11 2  o 41.62794 6.830125  18.55492       3.969247  22.15726       7.938493  14.95257       7.938493  45.78181 8.990330  37.47406 10.28477  8.307751       13.66025  
1 1 1 41 11 3  o 134.8483 2.405089  182.5567       4.583931  175.3807       9.167863  189.7328       9.167863  132.1875 3.467749  137.5091 3.333547  -5.321594      4.810179  
1 1 1 41 11 4  o 161.9135 2.226588  263.6857       5.079492  289.8074       10.15898  237.5639       10.15898  169.9801 2.988286  153.8469 3.301653  16.13316       4.453175  
1 1 1 41 11 5  o 58.87588 5.489804  37.08601       4.188437  50.73774       8.376874  23.43428       8.376874  70.79566 5.916234  46.95610 9.249323  23.83956       10.97961  
1 1 1 41 11 6  o 71.62875 5.087480  52.91058       5.055667  64.49906       10.11133  41.32210       10.11133  79.71802 6.341938  63.53947 7.956734  16.17854       10.17496  
1 1 1 41 11 7  o 113.3576 3.190268  129.7462       5.098552  141.4252       10.19710  118.0672       10.19710  118.5090 4.302249  108.2062 4.711887  10.30282       6.380536  
1 1 1 41 11 8  o 93.53383 4.696702  89.33426       6.199268  95.96713       12.39854  82.70137       12.39854  97.07954 6.385761  89.98811 6.888985  7.091431       9.393405  
1 1 1 41 11 9  o 68.20307 7.018569  49.87051       6.461343  60.77284       12.92269  38.96819       12.92269  76.62712 8.432188  59.77902 11.22227  16.84810       14.03714  
1 1 1 41 11 10 o 78.47365 6.005688  63.96539       6.642413  58.10443       13.28483  69.82634       13.28483  74.73930 8.887443  82.20799 8.080009  -7.468689      12.01138  
1 1 1 41 11 11 o 33.03524 8.890172  3.878712       6.756773  -11.99827      13.51355  19.75570       13.51355  23.73354 11.13883  42.33693 13.85883  -18.60339      17.78034  
1 1 1 41 11 12 o 44.23824 9.877374  21.25191       7.523938  33.63138       15.04788  8.872433       15.04788  53.67879 13.90728  34.79769 14.02988  18.88111       19.75475  
1 1 1 41 11 13 o 59.89960 9.044592  42.75637       8.005203  18.25949       16.01041  67.25324       16.01041  40.89391 14.97634  78.90528 10.14533  -38.01137      18.08918  
1 1 1 41 11 14 o 59.21182 9.489695  42.32751       7.814603  50.32795       15.62921  34.32708       15.62921  65.73814 12.34223  52.68549 14.41827  13.05265       18.97939  
1 1 1 41 12 0  o 103.5789 5.905600  108.8803       12.15075  108.8803       12.15075  108.8803       12.15075  103.5789 5.905600  103.5789 5.905600  0.000000       0.000000  
1 1 1 41 12 1  o 100.0137 2.941298  100.6273       4.155082  94.89977       8.310163  106.3548       8.310163  97.15037 4.276959  102.8771 4.038879  -5.726738      5.882595  
1 1 1 41 12 2  o 86.18929 3.342638  74.80100       4.074077  73.81941       8.148153  75.78259       8.148153  85.61985 4.758332  86.75873 4.695869  -1.138878      6.685276  
1 1 1 41 12 3  o 92.19859 3.230635  85.78433       4.197967  77.66000       8.395933  93.90866       8.395933  87.79270 4.781681  96.60447 4.345520  -8.811768      6.461270  
1 1 1 41 12 4  o 89.56315 3.441767  81.39099       4.317091  94.31846       8.634183  68.46355       8.634183  96.78010 4.460723  82.34620 5.242612  14.43390       6.883533  
1 1 1 41 12 5  o 44.30194 6.659276  20.97554       4.045487  21.29003       8.090974  20.66105       8.090974  44.65574 9.359538  43.94814 9.475385  0.7075920      13.31855  
1 1 1 41 12 6  o 85.02346 3.969013  73.27145       4.760237  79.23246       9.520474  67.31042       9.520474  88.52898 5.377038  81.51794 5.839496  7.011032       7.938026  
1 1 1 41 12 7  o 87.31882 4.193351  77.95542       5.108082  63.42217       10.21616  92.48869       10.21616  78.99687 6.466183  95.64078 5.340904  -16.64391      8.386703  
1 1 1 41 12 8  o 96.80023 3.596508  95.48111       4.874598  80.20451       9.749194  110.7577       9.749194  88.90944 5.482654  104.6910 4.656175  -15.78158      7.193015  
1 1 1 41 12 9  o 70.26714 6.941162  54.82611       6.175443  30.89627       12.35089  78.75596       12.35089  52.83929 11.96369  87.69500 7.041955  -34.85571      13.88232  
1 1 1 41 12 10 o 83.68031 5.755110  73.24760       6.680532  57.38015       13.36106  89.11507       13.36106  74.19932 9.003496  93.16131 7.170930  -18.96199      11.51022  
1 1 1 41 12 11 o 219.2129 2.835853  485.2344       8.791429  482.4850       17.58286  487.9839       17.58286  218.5858 4.021958  219.8400 3.999012  -1.254211      5.671706  
1 1 1 41 12 12 o 57.59352 9.633775  38.53933       7.733598  38.16767       15.46720  38.91100       15.46720  57.28164 13.67139  57.90540 13.57688  -0.6237564     19.26755  
1 1 1 41 12 13 o 24.02813 8.151861  -23.88696      8.305399  -40.61688      16.61080  -7.157033      16.61080  19.95340 9.972134  28.10287 12.89837  -8.149471      16.30372  
1 1 1 41 12 14 f 39.69331 15.70829  16.90623       18.45962  16.90623       18.45962  ?              ?         39.69331 15.70829  ?        ?         ?              ?         
1 1 1 41 13 0  o 20.87410 13.07583  3.287851       10.98809  3.287851       10.98809  3.287851       10.98809  20.87410 13.07583  20.87410 13.07583  0.000000       0.000000  
1 1 1 41 13 1  o 130.8765 2.531030  172.3501       4.669702  188.1413       9.339403  156.5589       9.339403  136.9094 3.410798  124.8436 3.740441  12.06574       5.062059  
1 1 1 41 13 2  o 128.0939 2.374720  164.7976       4.298031  156.8067       8.596063  172.7885       8.596063  124.9748 3.439119  131.2131 3.275612  -6.238304      4.749439  
1 1 1 41 13 3  o 75.18075 3.876420  57.15620       4.116962  54.10183       8.233924  60.21056       8.233924  73.14940 5.628155  77.21210 5.332016  -4.062698      7.752840  
1 1 1 41 13 4  o 47.40493 6.219849  23.91555       4.016897  17.13495       8.033793  30.69614       8.033793  39.92165 10.05924  54.88821 7.318323  -14.96656      12.43970  
1 1 1 41 13 5  o 56.18573 6.292852  34.12218       4.641112  21.47110       9.282224  46.77326       9.282224  44.56860 10.56152  67.80286 6.845010  -23.23425      12.58570  
1 1 1 41 13 6  o 85.55463 3.580710  73.91471       4.331387  75.73495       8.662774  72.09448       8.662774  86.61842 5.000538  84.49084 5.126457  2.127571       7.161420  
1 1 1 41 13 7  o 38.10855 8.275308  14.71433       5.274857  6.299332       10.54971  23.12932       10.54971  30.26122 11.90683  45.95587 11.49567  -15.69464      16.55062  
1 1 1 41 13 8  o 81.38162 5.054955  67.96321       5.813303  70.96994       11.62661  64.95650       11.62661  83.22891 6.984715  79.53432 7.309175  3.694588       10.10991  
1 1 1 41 13 9  o 66.74138 5.897321  46.06804       5.565523  46.91621       11.13105  45.21987       11.13105  67.37680 8.260295  66.10596 8.419092  1.270836       11.79464  
1 1 1 41 13 10 o 40.33853 7.863015  17.16354       5.189087  5.603642       10.37817  28.72343       10.37817  29.36796 11.72882  51.30909 10.47582  -21.94113      15.72603  
1 1 1 41 13 11 o 63.34393 9.054147  47.11158       8.129093  21.87136       16.25819  72.35179       16.25819  44.16141 15.19481  82.52645 9.850288  -38.36504      18.10829  
1 1 1 41 13 12 o 130.1351 4.573368  174.5706       8.414993  170.5490       16.82999  178.5923       16.82999  128.5899 6.544053  131.6803 6.390472  -3.090378      9.146735  
1 1 1 41 13 13 o 80.55887 7.390696  71.14625       8.391169  77.35504       16.78234  64.93745       16.78234  84.41245 9.940678  76.70528 10.93949  7.707161       14.78139  
1 1 1 41 13 14 o 79.08785 8.608826  73.68599       9.067800  93.22250       18.13560  54.14949       18.13560  91.98055 9.858388  66.19516 14.11594  25.78539       17.21765  
1 1 1 41 14 0  o 48.56918 13.80761  29.21899       11.60754  29.21899       11.60754  29.21899       11.60754  48.56918 13.80761  48.56918 13.80761  0.000000       0.000000  
1 1 1 41 14 1  o 174.2579 2.155991  304.6457       5.312977  301.6056       10.62595  307.6857       10.62595  173.3856 3.064256  175.1302 3.033731  -1.744583      4.311982  
1 1 1 41 14 2  o 155.8418 2.199510  243.7441       4.846007  236.6014       9.692014  250.8869       9.692014  153.5502 3.155977  158.1335 3.064504  -4.583313      4.399020  
1 1 1 41 14 3  o 150.2095 2.383796  226.6330       5.060432  236.2202       10.12086  217.0458       10.12086  153.4008 3.298830  147.0183 3.442043  6.382553       4.767592  
1 1 1 41 14 4  o 144.4201 2.397503  209.7983       4.884127  227.0524       9.768253  192.5442       9.768253  150.3937 3.247561  138.4465 3.527807  11.94713       4.795006  
1 1 1 41 14 5  o 67.99262 4.572267  47.33553       4.340917  55.84582       8.681833  38.82524       8.681833  74.25087 5.846284  61.73438 7.031603  12.51649       9.144533  
1 1 1 41 14 6  o 69.11699 4.782425  48.61731       4.674467  48.14558       9.348933  49.08905       9.348933  68.77573 6.796681  69.45824 6.729895  -0.6825180     9.564850  
1 1 1 41 14 7  o 40.47157 8.191267  17.83540       4.984192  21.34721       9.968384  14.32360       9.968384  44.08549 11.26329  36.85765 11.89646  7.227837       16.38253  
1 1 1 41 14 8  o 45.28550 8.082133  22.63853       5.193852  25.15921       10.38770  20.11784       10.38770  47.86642 11.06390  42.70459 11.78447  5.161827       16.16427  
1 1 1 41 14 9  o 45.61215 8.557534  23.12932       5.727532  17.01106       11.45506  29.24758       11.45506  39.71909 12.74605  51.50521 11.42208  -11.78613      17.11507  
1 1 1 41 14 10 o 98.84534 4.500097  102.6524       6.008667  136.7270       12.01733  68.57790       12.01733  116.0816 5.176243  81.60906 7.362745  34.47256       9.000195  
1 1 1 41 14 11 o 100.8688 4.338302  104.3107       6.184973  108.3276       12.36995  100.2938       12.36995  102.8599 6.013004  98.87766 6.255177  3.982285       8.676604  
1 1 1 41 14 12 o 40.04012 8.957509  16.99200       6.318392  28.69484       12.63678  5.289153       12.63678  49.57988 12.69011  30.50037 12.64552  19.07950       17.91502  
1 1 1 41 14 13 o 47.07125 7.603876  22.02384       6.885427  52.36737       13.77085  -8.319694      13.77085  69.35297 9.928095  24.78955 11.51992  44.56342       15.20775  
1 1 1 41 14 14 o 26.82121 11.77244  0.5622702      12.11263  0.5622702      12.11263  ?              ?         26.82121 11.77244  ?        ?         ?              ?         
1 1 1 41 14 15 o 24.17041 11.24052  -3.507041      13.14188  -3.507041      13.14188  ?              ?         24.17041 11.24052  ?        ?         ?              ?         
1 1 1 41 15 0  o 55.63381 12.38973  35.81376       12.02687  35.81376       12.02687  35.81376       12.02687  55.63381 12.38973  55.63381 12.38973  0.000000       0.000000  
1 1 1 41 15 1  o 101.1154 3.086043  103.3719       4.383801  116.9713       8.767603  89.77264       8.767603  107.8401 4.065095  94.39077 4.644312  13.44930       6.172085  
1 1 1 41 15 2  o 63.39055 4.786693  40.85036       4.288502  42.48476       8.577003  39.21596       8.577003  64.67970 6.630368  62.10140 6.905644  2.578293       9.573385  
1 1 1 41 15 3  o 125.3654 2.735220  158.1933       4.841242  168.7001       9.682484  147.6865       9.682484  129.5558 3.736799  121.1749 3.995252  8.380943       5.470439  
1 1 1 41 15 4  o 64.46758 4.689835  42.37993       4.255147  47.09728       8.510294  37.66258       8.510294  68.12627 6.245970  60.80887 6.997576  7.317402       9.379670  
1 1 1 41 15 5  o 227.5425 2.133156  520.1476       6.852073  555.9328       13.70415  484.3625       13.70415  235.4059 2.910748  219.6791 3.119128  15.72679       4.266311  
1 1 1 41 15 6  o 107.4942 3.181076  116.8950       4.812652  129.9797       9.625304  103.8103       9.625304  113.5804 4.237220  101.4079 4.745833  12.17246       6.362152  
1 1 1 41 15 7  o 124.0399 3.151418  155.4058       5.527402  158.3887       11.05480  152.4229       11.05480  125.2422 4.413369  122.8375 4.499770  2.404793       6.302837  
1 1 1 41 15 8  o 49.11735 7.857097  26.36476       5.541698  17.45897       11.08340  35.27055       11.08340  40.11588 12.49069  58.11882 9.535117  -18.00294      15.71419  
1 1 1 41 15 9  o 33.94593 8.348471  8.329224       5.713237  20.82306       11.42647  -4.164612      11.42647  43.28696 12.50008  24.60490 11.06959  18.68206       16.69694  
1 1 1 41 15 10 o 43.17324 9.102798  20.88024       6.042023  17.10636       12.08405  24.65412       12.08405  39.68199 13.10532  46.66449 12.63701  -6.982494      18.20560  
1 1 1 41 15 11 o 92.00199 5.059067  88.10489       6.504228  103.2004       13.00846  73.00935       13.00846  100.2059 6.490863  83.79808 7.761786  16.40782       10.11813  
1 1 1 41 15 12 f 88.89119 5.016685  82.13911       6.304098  84.67409       12.60820  79.60412       12.60820  90.31709 6.979962  87.46530 7.207541  2.851784       10.03337  
1 1 1 41 15 13 o 79.27702 6.101834  67.11504       6.837778  64.87074       13.67556  69.35937       13.67556  77.86153 8.781973  80.69250 8.473869  -2.830978      12.20367  
1 1 1 41 15 14 o 94.86896 5.389192  95.54781       7.228508  93.16531       14.45702  97.93031       14.45702  93.61328 7.721669  96.12464 7.519932  -2.511360      10.77838  
1 1 1 41 16 0  o 103.7487 6.355281  109.6141       13.08470  109.6141       13.08470  109.6141       13.08470  103.7487 6.355281  103.7487 6.355281  0.000000       0.000000  
1 1 1 41 16 1  o 92.90811 3.408867  87.34249       4.455277  77.07867       8.910554  97.60630       8.910554  87.38448 5.098476  98.43175 4.526260  -11.04727      6.817734  
1 1 1 41 16 2  o 35.05238 7.520969  12.92269       4.064547  14.28548       8.129093  11.55990       8.129093  36.58860 10.53603  33.51617 10.73555  3.072422       15.04194  
1 1 1 41 16 3  o 103.4251 3.283984  107.9130       4.798357  113.5309       9.596713  102.2951       9.596713  106.1410 4.520738  100.7091 4.764571  5.431900       6.567968  
1 1 1 41 16 4  o 76.83198 4.133583  59.89607       4.479102  64.94698       8.958203  54.84517       8.958203  80.11896 5.590565  73.54500 6.090288  6.573959       8.267165  
1 1 1 41 16 5  f 41.60236 7.890822  18.77887       4.803122  22.75765       9.606244  14.80010       9.606244  45.81467 10.67233  37.39006 11.62590  8.424618       15.78164  
1 1 1 41 16 6  o 44.49276 7.965673  21.77606       5.041372  18.90753       10.08274  24.64459       10.08274  41.51553 11.66377  47.46999 10.85192  -5.954460      15.93135  
1 1 1 41 16 7  o 137.4085 3.061628  190.7144       5.941957  179.7263       11.88391  201.7025       11.88391  133.4102 4.453900  141.4069 4.202029  -7.996658      6.123257  
1 1 1 41 16 8  o 83.18004 4.740641  71.26537       5.508343  58.73341       11.01669  83.79732       11.01669  75.64701 7.281639  90.71307 6.072269  -15.06606      9.481282  
1 1 1 41 16 9  o 173.2624 2.714785  302.5538       6.651943  300.7002       13.30389  304.4074       13.30389  172.7275 3.851120  173.7973 3.827415  -1.069824      5.429570  
1 1 1 41 16 10 o 79.94654 5.455040  66.70526       6.108732  76.91666       12.21746  56.49387       12.21746  86.33293 7.075784  73.56015 8.304404  12.77278       10.91008  
1 1 1 41 16 11 o 98.40249 4.725097  101.2706       6.418458  125.8246       12.83692  76.71654       12.83692  110.8788 5.788713  85.92615 7.469737  24.95268       9.450194  
1 1 1 41 16 12 o 62.56705 8.022275  44.23351       6.847308  34.43190       13.69462  54.03513       13.69462  54.25690 12.81001  70.87720 9.660804  -16.62031      16.04455  
1 1 1 41 16 13 o 35.06477 9.660213  11.23111       7.128443  4.755472       14.25689  17.70675       14.25689  30.89524 13.14924  39.23431 14.15544  -8.339079      19.32043  
1 1 1 41 16 14 o 84.54896 7.032325  79.77090       8.405463  77.52659       16.81093  82.01521       16.81093  83.22173 10.10008  85.87619 9.787886  -2.654465      14.06465  
1 1 1 41 17 0  o 70.42288 8.977365  52.69139       12.31277  52.69139       12.31277  52.69139       12.31277  70.42288 8.977365  70.42288 8.977365  0.000000       0.000000  
1 1 1 41 17 1  o 155.2066 2.475798  242.0716       5.432102  249.9148       10.86420  234.2284       10.86420  157.7333 3.443852  152.6800 3.557836  5.053375       4.951597  
1 1 1 41 17 2  o 31.91858 7.197985  7.662123       4.455277  19.22202       8.910554  -3.897772      8.910554  42.15034 10.57776  21.68682 9.764988  20.46353       14.39597  
1 1 1 41 17 3  f 35.00780 7.948862  12.00304       4.731647  18.40244       9.463295  5.603642       9.463295  41.23025 11.19093  28.78535 11.29162  12.44490       15.89772  
1 1 1 41 17 4  o 104.8356 3.120854  110.7482       4.626817  109.6999       9.253633  111.7965       9.253633  104.3356 4.434552  105.3355 4.392455  -0.9999313     6.241707  
1 1 1 41 17 5  o 156.6553 2.652535  247.3846       5.860952  268.0314       11.72190  226.7379       11.72190  163.2452 3.590276  150.0655 3.905597  13.17973       5.305070  
1 1 1 41 17 6  o 56.19862 6.601532  33.48367       5.108082  36.99548       10.21616  29.97186       10.21616  59.73550 8.551167  52.66175 10.05974  7.073750       13.20306  
1 1 1 41 17 7  o 115.5247 3.480808  135.0640       5.684648  139.3287       11.36929  130.7993       11.36929  117.3705 4.843337  113.6789 5.000618  3.691566       6.961616  
1 1 1 41 17 8  o 41.33893 8.830734  18.75505       5.632232  16.01994       11.26446  21.49016       11.26446  38.72459 12.65311  43.95327 12.32178  -5.228680      17.66147  
1 1 1 41 17 9  o 154.1083 3.081042  240.0513       6.713887  244.7782       13.42777  235.3244       13.42777  155.6419 4.313675  152.5747 4.400394  3.067245       6.162083  
1 1 1 41 17 10 o 72.95570 6.101777  55.89346       6.285037  59.43864       12.57007  52.34831       12.57007  75.38537 8.337212  70.52602 8.911657  4.859344       12.20355  
1 1 1 41 17 11 o 39.93394 9.771935  17.51615       6.875898  12.09357       13.75180  22.93872       13.75180  35.69085 13.69386  44.17703 13.94422  -8.486176      19.54387  
1 1 1 41 17 12 f 129.4778 3.932286  172.2739       7.199918  174.4563       14.39984  170.0915       14.39984  130.3205 5.524778  128.6350 5.597169  1.685532       7.864571  
1 1 1 41 17 13 o 25.59123 11.99312  -9.796844      15.45767  -9.796844      15.45767  ?              ?         25.59123 11.99312  ?        ?         ?              ?         
1 1 1 41 17 14 o 77.78137 7.552740  70.72691       8.252983  62.67884       16.50597  78.77501       16.50597  72.60784 11.36652  82.95490 9.948759  -10.34706      15.10548  
1 1 1 41 18 0  o 88.78632 7.799808  81.51965       13.64697  81.51965       13.64697  81.51965       13.64697  88.78632 7.799808  88.78632 7.799808  0.000000       0.000000  
1 1 1 41 18 1  o 60.91414 6.172961  40.69311       4.774532  58.77154       9.549064  22.61470       9.549064  76.09974 6.274045  45.72854 10.63288  30.37120       12.34592  
1 1 1 41 18 2  o 76.31137 4.825166  62.50729       4.765002  90.68752       9.530005  34.32708       9.530005  94.77534 5.027681  57.84740 8.237193  36.92794       9.650332  
1 1 1 41 18 3  o 114.2273 3.121945  132.7339       4.969897  158.5030       9.939795  106.9648       9.939795  125.5071 3.959854  102.9476 4.827600  22.55952       6.243890  
1 1 1 41 18 4  o 107.8477 3.151688  117.5431       4.793592  107.5270       9.587184  127.5591       9.587184  103.2041 4.644768  112.4913 4.261300  -9.287201      6.303376  
1 1 1 41 18 5  o 77.22144 4.786603  60.99679       5.227207  60.51553       10.45441  61.47805       10.45441  76.90982 6.796540  77.53305 6.741908  -0.6232300     9.573207  
1 1 1 41 18 6  o 57.53965 6.570182  34.50338       5.346332  34.34613       10.69266  34.66063       10.69266  57.40301 9.313680  57.67629 9.269549  -0.2732849     13.14036  
1 1 1 41 18 7  o 89.08907 4.581517  81.04792       5.770417  78.70831       11.54083  83.38754       11.54083  87.77599 6.574027  90.40215 6.383054  -2.626152      9.163034  
1 1 1 41 18 8  o 66.12778 6.002114  47.65002       5.089022  66.27164       10.17804  29.02839       10.17804  80.56075 6.317000  51.69482 10.20769  28.86593       12.00423  
1 1 1 41 18 9  o 25.75986 8.150949  -3.502276      6.127792  -5.784712      12.25558  -1.219841      12.25558  24.67126 11.23443  26.84847 11.81268  -2.177212      16.30190  
1 1 1 41 18 10 o 97.50229 4.361851  97.98750       5.961017  83.32082       11.92203  112.6542       11.92203  89.98109 6.624745  105.0235 5.675890  -15.04240      8.723701  
1 1 1 41 18 11 o 42.56767 9.027202  19.52221       6.699593  34.05070       13.39919  4.993722       13.39919  54.18716 12.59250  30.94818 12.93795  23.23898       18.05440  
1 1 1 41 18 12 o 85.81558 6.359676  79.03231       7.714538  76.41157       15.42908  81.65308       15.42908  84.28862 9.152526  87.34255 8.832508  -3.053932      12.71935  
1 1 1 41 18 13 o 25.56975 11.96599  -9.186924      15.19082  -9.186924      15.19082  ?              ?         25.56975 11.96599  ?        ?         ?              ?         
1 1 1 41 19 0  o 79.85646 9.048779  67.18652       14.13300  67.18652       14.13300  67.18652       14.13300  79.85646 9.048779  79.85646 9.048779  0.000000       0.000000  
1 1 1 41 19 1  o 71.15886 4.888201  51.95758       4.865067  43.26622       9.730133  60.64895       9.730133  65.05184 7.478754  77.26587 6.296528  -12.21403      9.776402  
1 1 1 41 19 2  o 65.79617 5.260175  44.98639       4.769767  56.33185       9.539534  33.64091       9.539534  74.41785 6.409439  57.17450 8.342473  17.24335       10.52035  
1 1 1 41 19 3  o 17.56042 5.964575  -12.69873      4.340917  -17.13495      8.681833  -8.262513      8.681833  15.98461 7.862226  19.13623 8.971622  -3.151617      11.92915  
1 1 1 41 19 4  o 41.13693 6.546413  15.48626       5.084257  -6.899723      10.16851  37.87223       10.16851  21.78848 10.03819  60.48538 8.405762  -38.69690      13.09283  
1 1 1 41 19 5  o 50.32954 7.292690  28.36605       5.265327  11.93157       10.53065  44.80055       10.53065  34.75446 12.20263  65.90462 7.989315  -31.15016      14.58538  
1 1 1 41 19 6  o 132.3005 3.065713  176.7196       5.732297  169.4721       11.46459  183.9672       11.46459  129.5614 4.424385  135.0396 4.244902  -5.478119      6.131425  
1 1 1 41 19 7  o 94.53125 4.446680  91.94548       5.865717  108.8040       11.73143  75.08691       11.73143  103.4482 5.670198  85.61432 6.851328  17.83387       8.893359  
1 1 1 41 19 8  o 103.3380 4.483989  110.9149       6.385102  82.86338       12.77020  138.9665       12.77020  89.76521 7.113115  116.9107 5.461522  -27.14548      8.967978  
1 1 1 41 19 9  o 78.10606 5.089060  63.10768       5.617938  60.66801       11.23588  65.54736       11.23588  76.54430 7.339459  79.66784 7.051701  -3.123543      10.17812  
1 1 1 41 19 10 o 61.48487 7.850910  41.80336       6.671002  38.93959       13.34200  44.66713       13.34200  58.65337 11.78835  64.31637 10.37217  -5.662994      15.70182  
1 1 1 41 19 11 o 29.33189 8.469102  -2.377736      6.628118  -20.52763      13.25624  15.77216       13.25624  20.56262 10.01640  38.10116 13.65923  -17.53854      16.93820  
1 1 1 41 19 12 o 93.55101 5.860940  95.87183       7.357163  128.5312       14.71433  63.21251       14.71433  111.0064 6.627695  76.09566 9.668307  34.91070       11.72188  
1 1 1 41 19 13 f 25.53610 11.84841  -7.109383      14.49514  -7.109383      14.49514  ?              ?         25.53610 11.84841  ?        ?         ?              ?         
1 1 1 41 20 0  o 82.33163 8.034612  70.66498       12.99893  70.66498       12.99893  70.66498       12.99893  82.33163 8.034612  82.33163 8.034612  0.000000       0.000000  
1 1 1 41 20 1  o 168.1733 2.540935  284.5469       6.042023  290.9415       12.08405  278.1522       12.08405  170.0745 3.552574  166.2721 3.633816  3.802414       5.081870  
1 1 1 41 20 2  o 153.2951 2.700903  236.7539       5.851423  246.6842       11.70285  226.8236       11.70285  156.5340 3.738116  150.0562 3.899488  6.477875       5.401807  
1 1 1 41 20 3  o 70.00234 5.188402  51.57638       4.927012  67.86316       9.854024  35.28960       9.854024  81.63536 6.035389  58.36932 8.441099  23.26604       10.37680  
1 1 1 41 20 4  o 24.28151 7.526703  -1.400911      4.950837  -0.6289803     9.901674  -2.172841      9.901674  24.72535 10.74848  23.83767 10.53922  0.8876839      15.05341  
1 1 1 41 20 5  o 39.59423 9.117362  16.74422       5.856187  17.46850       11.71237  16.01994       11.71237  40.25031 12.88558  38.93816 12.90221  1.312153       18.23472  
1 1 1 41 20 6  o 178.9749 2.650253  322.7336       6.704357  334.9606       13.40871  310.5066       13.40871  182.3907 3.675821  175.5591 3.818861  6.831680       5.300506  
1 1 1 41 20 7  o 39.52296 9.020007  16.49167       5.932428  22.43363       11.86486  10.54971       11.86486  44.76483 12.67721  34.28109 12.83474  10.48374       18.04001  
1 1 1 41 20 8  o 39.92592 8.827197  17.22072       5.794242  24.27292       11.58848  10.16851       11.58848  46.28239 12.30429  33.56946 12.66026  12.71293       17.65439  
1 1 1 41 20 9  o 105.2927 4.463151  114.6507       6.561408  135.1164       13.12282  94.18503       13.12282  115.0112 5.705018  95.57422 6.865249  19.43695       8.926302  
1 1 1 41 20 10 o 38.30317 8.900002  12.79403       6.732948  -4.193202      13.46590  29.78126       13.46590  26.33277 11.92249  50.27358 13.21719  -23.94082      17.80000  
1 1 1 41 20 11 o 33.17824 9.667537  7.771718       7.357163  5.718002       14.71433  9.825435       14.71433  31.99448 13.47560  34.36201 13.86554  -2.367529      19.33507  
1 1 1 41 20 12 o 26.45238 12.05161  -4.240851      14.14252  -4.240851      14.14252  ?              ?         26.45238 12.05161  ?        ?         ?              ?         
1 1 1 41 20 13 o 98.67311 5.778944  106.7122       8.024263  117.9147       16.04853  95.50970       16.04853  104.3497 7.689781  92.99653 8.628562  11.35316       11.55789  
1 1 1 41 21 0  o 39.48592 16.93889  23.37710       13.59931  23.37710       13.59931  23.37710       13.59931  39.48592 16.93889  39.48592 16.93889  0.000000       0.000000  
1 1 1 41 21 1  o 26.00854 7.858629  0.7338103      5.136672  -0.7719304     10.27334  2.239551       10.27334  25.07214 10.92428  26.94494 11.30010  -1.872797      15.71726  
1 1 1 41 21 2  o 37.78514 7.580650  13.29912       5.184323  28.12304       10.36865  -1.524801      10.36865  50.79934 10.55670  24.77095 10.88215  26.02839       15.16130  
1 1 1 41 21 3  o 44.17161 8.122930  21.54257       5.217677  27.02709       10.43535  16.05806       10.43535  49.71762 10.79714  38.62560 12.13877  11.09203       16.24586  
1 1 1 41 21 4  f 31.69907 8.703211  7.481052       5.636997  4.907952       11.27399  10.05415       11.27399  29.76615 12.08539  33.63198 12.52704  -3.865839      17.40642  
1 1 1 41 21 5  o 99.15738 4.332253  101.4135       5.956253  123.9568       11.91251  78.87032       11.91251  110.5248 5.389065  87.78999 6.784661  22.73479       8.664505  
1 1 1 41 21 6  o 109.6674 4.019886  123.9901       6.099203  153.0519       12.19841  94.92837       12.19841  122.9173 4.962036  96.41744 6.325829  26.49989       8.039771  
1 1 1 41 21 7  f 39.63251 8.623573  15.89128       5.965783  4.050251       11.93157  27.73231       11.93157  29.61287 12.28320  49.65215 12.10732  -20.03928      17.24715  
1 1 1 41 21 8  o 108.3510 4.297641  120.3163       6.580468  125.5292       13.16094  115.1034       13.16094  110.7565 5.941381  105.9454 6.211187  4.811142       8.595282  
1 1 1 41 21 9  o 33.11651 9.304955  6.761538       6.914018  -2.125191      13.82804  15.64827       13.82804  27.72509 12.33331  38.50793 13.93622  -10.78284      18.60991  
1 1 1 41 21 10 o 26.99030 8.454399  -2.925711      6.594762  -10.10180      13.18952  4.250381       13.18952  23.68318 11.09524  30.29741 12.75944  -6.614222      16.90880  
1 1 1 41 21 11 o 58.94109 8.973063  41.06955       7.452463  29.58113       14.90493  52.55797       14.90493  49.02107 14.31565  68.86111 10.82246  -19.84004      17.94613  
1 1 1 41 21 12 o 65.92122 9.162324  52.16724       8.238688  48.43148       16.47738  55.90300       16.47738  63.06204 13.46050  68.78040 12.43414  -5.718365      18.32465  
1 1 1 41 22 0  o 45.99474 17.56787  30.14340       15.16224  30.14340       15.16224  30.14340       15.16224  45.99474 17.56787  45.99474 17.56787  0.000000       0.000000  
1 1 1 41 22 1  o 75.56554 5.088347  59.54346       5.284387  75.28703       10.56877  43.79990       10.56877  85.98270 6.145873  65.14838 8.111310  20.83431       10.17669  
1 1 1 41 22 2  o 44.92109 8.270987  22.30021       5.351098  26.14080       10.70220  18.45962       10.70220  48.77684 11.20055  41.06534 12.17311  7.711498       16.54197  
1 1 1 41 22 3  o 90.11442 4.121568  82.76808       5.231973  74.45792       10.46395  91.07825       10.46395  85.50352 6.119014  94.72531 5.523310  -9.221786      8.243135  
1 1 1 41 22 4  o 61.56238 6.793925  41.61752       5.465457  57.28485       10.93091  25.95020       10.93091  74.67400 7.319090  48.45076 11.44817  26.22324       13.58785  
1 1 1 41 22 5  o 86.70717 4.921247  77.74100       5.951487  92.18372       11.90297  63.29829       11.90297  95.03561 6.262376  78.37873 7.593243  16.65688       9.842494  
1 1 1 41 22 6  o 100.9113 4.402258  104.2249       6.265977  112.7495       12.53195  95.70029       12.53195  105.1351 5.959928  96.68754 6.480647  8.447594       8.804517  
1 1 1 41 22 7  f 40.46107 9.327096  17.99741       6.218328  14.06629       12.43666  21.92854       12.43666  37.03854 13.23502  43.88359 13.14584  -6.845047      18.65419  
1 1 1 41 22 8  o 51.28192 8.357574  29.70979       6.280273  17.68769       12.56055  41.73189       12.56055  40.03387 13.36121  62.52996 10.04362  -22.49609      16.71515  
1 1 1 41 22 9  o 81.32880 6.379298  71.56556       7.099854  52.01476       14.19971  91.11636       14.19971  69.30919 10.24374  93.34840 7.605758  -24.03921      12.75860  
1 1 1 41 22 10 o 45.15842 9.393529  24.02038       6.837778  34.61298       13.67556  13.42777       13.67556  54.06556 12.82436  36.25130 13.72914  17.81426       18.78706  
1 1 1 41 22 11 o 40.60616 14.16094  19.81288       14.16159  19.81288       14.16159  ?              ?         40.60616 14.16094  ?        ?         ?              ?         
1 1 1 41 22 12 f 91.19318 6.225756  90.87811       8.029028  90.35397       16.05806  91.40227       16.05806  90.90580 8.832251  91.48057 8.776758  -0.5747681     12.45151  
1 1 1 41 23 0  o 34.56741 17.94602  19.09813       15.89605  19.09813       15.89605  19.09813       15.89605  34.56741 17.94602  34.56741 17.94602  0.000000       0.000000  
1 1 1 41 23 1  o 68.98019 5.710919  49.23199       5.551227  44.58136       11.10245  53.88265       11.10245  65.60919 8.461051  72.35120 7.672614  -6.742004      11.42184  
1 1 1 41 23 2  o 51.86395 7.281202  29.66690       5.208147  41.40787       10.41630  17.92594       10.41630  63.27385 8.231122  40.45406 12.01300  22.81979       14.56240  
1 1 1 41 23 3  o 63.46066 6.560477  44.01908       5.413042  27.86573       10.82608  60.17245       10.82608  50.33498 11.05460  76.58633 7.067896  -26.25135      13.12095  
1 1 1 41 23 4  o 170.6595 2.856198  293.8481       6.890193  283.5843       13.78039  304.1120       13.78039  167.6523 4.109810  173.6665 3.967484  -6.014206      5.712396  
1 1 1 41 23 5  o 57.57029 7.996903  36.59045       6.280273  39.80683       12.56055  33.37407       12.56055  60.38826 10.78880  54.75232 11.80693  5.635933       15.99381  
1 1 1 41 23 6  o 123.0041 3.774062  154.3718       6.542348  168.9384       13.08470  139.8052       13.08470  128.9253 5.074525  117.0830 5.587789  11.84237       7.548124  
1 1 1 41 23 7  o 109.5928 4.320226  123.1753       6.685298  115.3988       13.37060  130.9518       13.37060  106.0449 6.304213  113.1407 5.908834  -7.095795      8.640452  
1 1 1 41 23 8  o 62.40626 7.625267  42.93267       6.594762  43.65695       13.18952  42.20839       13.18952  63.46529 10.39113  61.34724 11.16258  2.118050       15.25053  
1 1 1 41 23 9  o 41.13253 9.744137  18.48344       7.133208  28.35176       14.26642  8.615124       14.26642  48.64408 13.94146  33.62098 13.61721  15.02311       19.48827  
1 1 1 41 23 10 o 43.29068 9.835217  22.39551       6.923548  26.71260       13.84710  18.07842       13.84710  46.90044 13.83101  39.68091 13.98675  7.219536       19.67043  
1 1 1 41 23 11 o 34.91637 13.89999  11.59801       14.53326  11.59801       14.53326  ?              ?         34.91637 13.89999  ?        ?         ?              ?         
1 1 1 41 23 12 o 46.52440 14.63412  31.13452       15.16224  31.13452       15.16224  ?              ?         46.52440 14.63412  ?        ?         ?              ?         
1 1 1 41 24 0  o 74.35767 11.32444  59.61017       16.01041  59.61017       16.01041  59.61017       16.01041  74.35767 11.32444  74.35767 11.32444  0.000000       0.000000  
1 1 1 41 24 1  o 67.06854 5.891322  47.23070       5.460692  58.36175       10.92138  36.09966       10.92138  75.36681 7.245487  58.77028 9.291588  16.59652       11.78264  
1 1 1 41 24 2  o 43.38094 6.501386  18.52633       5.141437  42.71348       10.28287  -5.660822      10.28287  64.28017 7.998481  22.48172 10.25165  41.79845       13.00277  
1 1 1 41 24 3  o 51.29849 7.988779  29.14275       5.856187  18.19278       11.71237  40.09273       11.71237  40.75087 12.86938  61.84611 9.468966  -21.09524      15.97756  
1 1 1 41 24 4  o 59.64470 7.708282  38.82523       6.304098  45.78214       12.60820  31.86833       12.60820  65.95686 9.557912  53.33254 12.09615  12.62432       15.41656  
1 1 1 41 24 5  o 70.11469 6.290817  51.84798       6.189737  44.79102       12.37947  58.90495       12.37947  65.08224 9.510639  75.14714 8.236824  -10.06490      12.58163  
1 1 1 41 24 6  o 24.64384 7.979558  -6.647177      6.308862  -6.013433      12.61772  -7.280923      12.61772  24.91146 11.35865  24.37621 11.21046  0.5352554      15.95912  
1 1 1 41 24 7  o 155.2293 3.463436  245.3309       7.595412  257.9200       15.19082  232.7418       15.19082  159.2843 4.768461  151.1743 5.024274  8.110016       6.926872  
1 1 1 41 24 8  o 86.63913 5.989094  79.25627       7.338103  79.72800       14.67621  78.78455       14.67621  86.91137 8.443202  86.36689 8.496430  0.5444794      11.97819  
1 1 1 41 24 9  f 72.84673 7.019908  57.82330       7.218978  61.49711       14.43796  54.14949       14.43796  75.36834 9.578264  70.32512 10.26515  5.043221       14.03982  
1 1 1 41 24 10 o 66.01288 8.363167  50.47566       7.619238  46.45877       15.23848  54.49256       15.23848  62.43267 12.64538  69.59308 10.94827  -7.160404      16.72633  
1 1 1 41 24 11 o 56.14182 14.19257  40.11179       15.95323  40.11179       15.95323  ?              ?         56.14182 14.19257  ?        ?         ?              ?         
1 1 1 41 25 0  o 38.86089 18.02677  23.72971       15.40049  23.72971       15.40049  23.72971       15.40049  38.86089 18.02677  38.86089 18.02677  0.000000       0.000000  
1 1 1 41 25 1  o 119.2762 3.664417  144.8799       6.146852  162.2197       12.29370  127.5401       12.29370  126.5450 4.857446  112.0074 5.487898  14.53754       7.328834  
1 1 1 41 25 2  o 135.1466 3.160546  185.0679       6.022963  201.2070       12.04593  168.9288       12.04593  141.1175 4.268047  129.1756 4.662615  11.94189       6.321092  
1 1 1 41 25 3  o 40.74538 9.048241  18.29284       5.899073  14.30454       11.79815  22.28115       11.79815  37.10224 12.92668  44.38852 12.66426  -7.286274      18.09648  
1 1 1 41 25 4  o 100.0142 4.356022  102.4857       6.161148  103.0479       12.32230  101.9234       12.32230  100.2953 6.143007  99.73311 6.177635  0.5622025      8.712044  
1 1 1 41 25 5  o 89.20045 5.426627  82.67755       6.842543  85.42696       13.68509  79.92815       13.68509  90.74159 7.540691  87.65931 7.805838  3.082283       10.85325  
1 1 1 41 25 6  o 37.48327 8.349309  10.03986       6.461343  30.67708       12.92269  -10.59736      12.92269  51.61417 12.60910  23.35238 10.94780  28.26179       16.69862  
1 1 1 41 25 7  o 39.70978 8.660835  12.14122       7.076028  35.52785       14.15206  -11.24540      14.15206  55.09780 13.03096  24.32176 11.41202  30.77604       17.32167  
1 1 1 41 25 8  o 44.02933 9.992959  22.63376       7.447698  32.26859       14.89540  12.99893       14.89540  51.52824 14.06428  36.53042 14.19976  14.99781       19.98592  
1 1 1 41 25 9  o 43.82003 14.61980  23.46287       15.03835  23.46287       15.03835  ?              ?         43.82003 14.61980  ?        ?         ?              ?         
1 1 1 41 25 10 o 68.95293 8.896605  57.50404       8.238688  36.10918       16.47738  78.89891       16.47738  53.15603 14.90292  84.74983 9.721186  -31.59380      17.79321  
1 1 1 41 26 0  o 146.4630 6.189033  218.2085       18.05936  218.2085       18.05936  218.2085       18.05936  146.4630 6.189033  146.4630 6.189033  0.000000       0.000000  
1 1 1 41 26 1  o 37.51088 8.305142  11.21205       6.175443  29.08557       12.35089  -6.661473      12.35089  50.63645 12.30015  24.38532 11.16279  26.25113       16.61028  
1 1 1 41 26 2  o 50.49793 8.546408  29.06651       6.132557  21.17567       12.26511  36.95736       12.26511  43.19301 13.07829  57.80285 11.00557  -14.60984      17.09282  
1 1 1 41 26 3  o 27.15580 8.172865  -3.430801      6.151618  -16.60127      12.30324  9.739664       12.30324  20.73838 9.993376  33.57321 12.93504  -12.83483      16.34573  
1 1 1 41 26 4  o 43.84681 9.263153  21.81894       6.304098  26.98897       12.60820  16.64892       12.60820  48.49868 12.80721  39.19494 13.38654  9.303738       18.52631  
1 1 1 41 26 5  o 90.91550 5.376890  86.22271       6.894957  93.17485       13.78991  79.27057       13.78991  94.73890 7.277853  87.09209 7.916859  7.646812       10.75378  
1 1 1 41 26 6  o 131.4387 4.061707  177.2962       7.547763  182.1470       15.09553  172.4454       15.09553  133.2839 5.662921  129.5934 5.824188  3.690521       8.123413  
1 1 1 41 26 7  o 131.5802 3.868382  177.6107       7.190388  187.0358       14.38078  168.1855       14.38078  135.1618 5.319839  127.9987 5.617548  7.163055       7.736765  
1 1 1 41 26 8  o 44.06559 10.26215  23.46763       7.409578  23.31039       14.81916  23.62488       14.81916  43.93896 14.51287  44.19221 14.51288  -0.2532578     20.52430  
1 1 1 41 26 9  o 46.62812 14.79561  27.59889       15.46720  27.59889       15.46720  ?              ?         46.62812 14.79561  ?        ?         ?              ?         
1 1 1 41 26 10 o 30.75266 13.57567  2.820881       16.34396  2.820881       16.34396  ?              ?         30.75266 13.57567  ?        ?         ?              ?         
1 1 1 41 27 0  o 34.37230 18.66139  19.45074       17.80205  19.45074       17.80205  19.45074       17.80205  34.37230 18.66139  34.37230 18.66139  0.000000       0.000000  
1 1 1 41 27 1  o 81.64255 5.264963  69.14494       6.070612  73.17137       12.14122  65.11852       12.14122  84.10844 7.217603  79.17666 7.667174  4.931778       10.52993  
1 1 1 41 27 2  o 49.82813 8.517726  28.40418       6.118262  18.53586       12.23652  38.27250       12.23652  40.75505 13.18317  58.90121 10.78937  -18.14616      17.03545  
1 1 1 41 27 3  o 33.25717 9.241846  8.991558       6.351747  9.234573       12.70349  8.748544       12.70349  33.42275 13.08841  33.09160 13.05146  0.3311501      18.48369  
1 1 1 41 27 4  o 28.99385 8.918648  0.6718653      6.875898  3.116311       13.75180  -1.772581      13.75180  30.22300 12.89021  27.76470 12.32930  2.458302       17.83730  
1 1 1 41 27 5  o 154.8512 3.398868  244.9258       7.404812  273.1013       14.80962  216.7504       14.80962  163.9488 4.516540  145.7536 5.080363  18.19519       6.797737  
1 1 1 41 27 6  o 25.82228 8.394376  -7.890843      7.142738  -1.391381      14.28548  -14.39031      14.28548  28.26871 12.55803  23.37586 11.14262  4.892843       16.78875  
1 1 1 41 27 7  o 89.27205 6.177846  85.29830       7.776483  92.37433       15.55297  78.22227       15.55297  93.23523 8.340714  85.30887 9.115680  7.926361       12.35569  
1 1 1 41 27 8  o 41.47984 14.86384  20.82306       15.69592  20.82306       15.69592  ?              ?         41.47984 14.86384  ?        ?         ?              ?         
1 1 1 41 27 9  o 47.66488 15.50118  29.60019       16.90623  29.60019       16.90623  ?              ?         47.66488 15.50118  ?        ?         ?              ?         
1 1 1 41 28 0  o 24.54496 15.89157  3.183021       17.82111  3.183021       17.82111  3.183021       17.82111  24.54496 15.89157  24.54496 15.89157  0.000000       0.000000  
1 1 1 41 28 1  o 30.22489 8.934166  4.045486       6.451812  7.595412       12.90362  0.4955602      12.90362  32.31089 13.00651  28.13889 12.25185  4.172001       17.86833  
1 1 1 41 28 2  o 58.33617 7.965578  39.03966       6.351747  23.81548       12.70349  54.26384       12.70349  45.14719 13.22647  71.52515 8.880440  -26.37796      15.93116  
1 1 1 41 28 3  o 31.93380 8.898760  4.612522       6.618587  -7.938493      13.23717  17.16354       13.23717  24.56791 11.36977  39.29968 13.69234  -14.73176      17.79752  
1 1 1 41 28 4  o 67.88729 7.600921  50.96646       7.056968  43.43776       14.11394  58.49516       14.11394  61.87077 11.82858  73.90382 9.548855  -12.03305      15.20184  
1 1 1 41 28 5  o 26.78972 8.520884  -7.819368      7.238038  -21.33768      14.47608  5.698943       14.47608  21.63017 10.52019  31.94927 13.40699  -10.31910      17.04177  
1 1 1 41 28 6  o 40.27865 8.996166  13.37536       7.447698  36.79535       14.89540  -10.04462      14.89540  55.28777 13.55646  25.26953 11.82990  30.01823       17.99233  
1 1 1 41 28 7  f 37.92795 14.52816  15.65780       15.45767  15.65780       15.45767  ?              ?         37.92795 14.52816  ?        ?         ?              ?         
1 1 1 41 28 8  o 50.68919 15.00456  32.93570       16.26772  32.93570       16.26772  ?              ?         50.68919 15.00456  ?        ?         ?              ?         
1 1 1 41 29 0  o 59.64579 18.59109  48.20275       19.38403  48.20275       19.38403  48.20275       19.38403  59.64579 18.59109  59.64579 18.59109  0.000000       0.000000  
1 1 1 41 29 1  o 76.52754 6.139167  62.04033       6.637648  59.03837       13.27530  65.04227       13.27530  74.56618 8.901688  78.48889 8.456800  -3.922707      12.27833  
1 1 1 41 29 2  o 28.63807 8.642120  1.543861       6.332687  -3.926362      12.66537  7.014082       12.66537  25.65339 11.59153  31.62274 12.82113  -5.969349      17.28424  
1 1 1 41 29 3  o 60.81035 7.974214  41.39357       6.704357  44.40982       13.40871  38.37733       13.40871  63.81004 10.50674  57.81065 11.99836  5.999386       15.94843  
1 1 1 41 29 4  o 33.80564 8.873503  1.543861       7.333338  -22.97684      14.66668  26.06456       14.66668  21.35381 10.42574  46.25747 14.36176  -24.90367      17.74701  
1 1 1 41 29 5  o 31.34106 9.495658  3.016246       7.685949  9.501413       15.37190  -3.468921      15.37190  34.52129 14.07970  28.16084 12.74489  6.360441       18.99132  
1 1 1 41 29 6  o 29.00653 12.98464  -1.048300      15.54344  -1.048300      15.54344  ?              ?         29.00653 12.98464  ?        ?         ?              ?         
1 1 1 41 29 7  o 35.42775 14.27445  11.68378       15.56250  11.68378       15.56250  ?              ?         35.42775 14.27445  ?        ?         ?              ?         
1 1 1 41 30 0  o 23.63102 15.88991  -2.439681      20.62293  -2.439681      20.62293  -2.439681      20.62293  23.63102 15.88991  23.63102 15.88991  0.000000       0.000000  
1 1 1 41 30 1  o 25.41459 8.335064  -8.758074      7.247568  -5.946723      14.49514  -11.56942      14.49514  26.43525 12.09778  24.39394 11.46896  2.041311       16.67013  
1 1 1 41 30 2  o 105.5179 5.124338  117.0666       7.590649  101.4660       15.18130  132.6672       15.18130  98.12549 7.735654  112.9103 6.722724  -14.78481      10.24868  
1 1 1 41 30 3  o 33.42603 9.529762  8.538883       7.066498  3.726231       14.13300  13.35154       14.13300  30.49240 13.03833  36.35965 13.90207  -5.867252      19.05952  
1 1 1 41 30 4  o 63.15576 8.734191  47.38794       7.571588  64.44189       15.14318  30.33400       15.14318  76.82897 9.855121  49.48254 14.42293  27.34643       17.46838  
1 1 1 41 30 5  o 26.10728 12.20363  -9.043974      15.74357  -9.043974      15.74357  ?              ?         26.10728 12.20363  ?        ?         ?              ?         
1 1 1 41 30 6  o 80.45262 7.017159  71.41308       7.971848  75.52528       15.94370  67.30089       15.94370  83.00829 9.603679  77.89696 10.23384  5.111328       14.03432  
1 1 1 41 30 7  o 42.78014 15.07983  23.97749       16.09618  23.97749       16.09618  ?              ?         42.78014 15.07983  ?        ?         ?              ?         
1 1 1 41 31 0  o 82.61972 15.03953  80.09016       22.52893  80.09016       22.52893  80.09016       22.52893  82.61972 15.03953  82.61972 15.03953  0.000000       0.000000  
1 1 1 41 31 1  o 60.29245 8.838579  43.65695       7.528703  24.45399       15.05741  62.85991       15.05741  44.71602 14.62908  75.86889 9.923307  -31.15287      17.67716  
1 1 1 41 31 2  o 27.97863 8.820010  -1.467621      7.133208  1.867881       14.26642  -4.803122      14.26642  29.46401 12.85532  26.49326 12.07937  2.970751       17.64002  
1 1 1 41 31 3  o 65.57724 8.015169  49.45119       7.190388  57.25626       14.38078  41.64612       14.38078  72.04647 9.980208  59.10801 12.54461  12.93846       16.03034  
1 1 1 41 31 4  o 41.90290 14.75651  21.47110       15.41002  21.47110       15.41002  ?              ?         41.90290 14.75651  ?        ?         ?              ?         
1 1 1 41 31 5  o 78.08946 8.433862  75.47286       8.148153  117.2953       16.29631  33.65044       16.29631  105.0054 7.759744  51.17349 14.97686  53.83195       16.86772  
1 1 1 41 31 6  o 83.61032 7.551363  80.75726       8.743778  97.26321       17.48756  64.25129       17.48756  93.48109 9.353526  73.73956 11.85765  19.74154       15.10273  
1 1 1 41 32 1  o 73.54075 7.234732  60.04856       7.509643  63.94633       15.01929  56.15079       15.01929  76.19083 9.856362  70.89067 10.59328  5.300156       14.46946  
1 1 1 41 32 2  o 33.95519 13.76076  10.03509       14.58090  10.03509       14.58090  ?              ?         33.95519 13.76076  ?        ?         ?              ?         
1 1 1 41 32 3  o 25.93604 12.13021  -9.091624      15.58156  -9.091624      15.58156  ?              ?         25.93604 12.13021  ?        ?         ?              ?         
1 1 1 41 32 4  o 28.36521 12.82421  -1.886941      15.52438  -1.886941      15.52438  ?              ?         28.36521 12.82421  ?        ?         ?              ?         
1 1 1 41 32 5  o 51.98749 15.08471  37.57681       16.60127  37.57681       16.60127  ?              ?         51.98749 15.08471  ?        ?         ?              ?         
1 1 1 41 33 1  o 25.08084 11.83871  -11.68378      15.74357  -11.68378      15.74357  ?              ?         25.08084 11.83871  ?        ?         ?              ?         
1 1 1 41 33 2  o 78.68423 8.095861  72.95218       8.476938  54.32102       16.95388  91.58334       16.95388  66.34871 13.24517  91.01976 9.313294  -24.67105      16.19172  
1 1 1 41 33 3  o 36.71201 14.46538  16.02947       15.59109  16.02947       15.59109  ?              ?         36.71201 14.46538  ?        ?         ?              ?         
1 1 1 42 0  0  o 22.27714 14.34344  1.324671       14.21877  1.324671       14.21877  1.324671       14.21877  22.27714 14.34344  22.27714 14.34344  0.000000       0.000000  
1 1 1 42 0  1  o 52.74798 10.00793  30.85815       9.482354  30.85815       9.482354  30.85815       9.482354  52.74798 10.00793  52.74798 10.00793  0.000000       0.000000  
1 1 1 42 0  2  o 34.54904 14.80990  17.41132       10.39723  17.41132       10.39723  17.41132       10.39723  34.54904 14.80990  34.54904 14.80990  0.000000       0.000000  
1 1 1 42 0  3  o 33.07853 13.40837  15.53391       8.643713  15.53391       8.643713  15.53391       8.643713  33.07853 13.40837  33.07853 13.40837  0.000000       0.000000  
1 1 1 42 0  4  o 68.94625 9.479939  49.45119       12.82739  49.45119       12.82739  49.45119       12.82739  68.94625 9.479939  68.94625 9.479939  0.000000       0.000000  
1 1 1 42 0  5  o 57.95197 14.44138  40.12132       14.46655  40.12132       14.46655  40.12132       14.46655  57.95197 14.44138  57.95197 14.44138  0.000000       0.000000  
1 1 1 42 0  6  o 28.17651 16.36599  10.88326       14.84775  10.88326       14.84775  10.88326       14.84775  28.17651 16.36599  28.17651 16.36599  0.000000       0.000000  
1 1 1 42 0  7  o 183.8400 5.052330  340.3641       18.54539  340.3641       18.54539  340.3641       18.54539  183.8400 5.052330  183.8400 5.052330  0.000000       0.000000  
1 1 1 42 0  8  o 24.34953 15.74804  1.972711       17.43038  1.972711       17.43038  1.972711       17.43038  24.34953 15.74804  24.34953 15.74804  0.000000       0.000000  
1 1 1 42 0  9  o 56.99327 18.92641  43.93332       19.13625  43.93332       19.13625  43.93332       19.13625  56.99327 18.92641  56.99327 18.92641  0.000000       0.000000  
1 1 1 42 0  10 o 85.76566 13.92081  81.11939       22.29068  81.11939       22.29068  81.11939       22.29068  85.76566 13.92081  85.76566 13.92081  0.000000       0.000000  
1 1 1 42 0  11 o 18.85916 13.38328  -18.96471      19.51745  -18.96471      19.51745  -18.96471      19.51745  18.85916 13.38328  18.85916 13.38328  0.000000       0.000000  
1 1 1 42 0  12 o 24.15969 16.77537  -12.94175      26.38858  -12.94175      26.38858  -12.94175      26.38858  24.15969 16.77537  24.15969 16.77537  0.000000       0.000000  
1 1 1 42 0  13 o 73.01932 13.94931  61.86879       18.26902  61.86879       18.26902  61.86879       18.26902  73.01932 13.94931  73.01932 13.94931  0.000000       0.000000  
1 1 1 42 0  14 o 20.99738 14.75697  -15.44814      22.38598  -15.44814      22.38598  -15.44814      22.38598  20.99738 14.75697  20.99738 14.75697  0.000000       0.000000  
1 1 1 42 1  0  o 79.83862 6.308137  65.29005       9.949325  65.29005       9.949325  65.29005       9.949325  79.83862 6.308137  79.83862 6.308137  0.000000       0.000000  
1 1 1 42 1  1  o 68.02550 3.706239  46.70178       3.559456  49.81333       7.118913  43.59024       7.118913  70.31255 5.062335  65.73846 5.414573  4.574089       7.412478  
1 1 1 42 1  2  f 64.99120 3.580794  42.59435       3.287851  44.78149       6.575703  40.40722       6.575703  66.67384 4.931246  63.30856 5.193376  3.365280       7.161588  
1 1 1 42 1  3  o 141.4136 2.051002  200.7638       4.093137  185.7684       8.186274  215.7593       8.186274  136.1116 3.007192  146.7156 2.789845  -10.60397      4.102004  
1 1 1 42 1  4  o 117.3680 3.041208  139.1524       5.012782  157.9408       10.02556  120.3640       10.02556  125.3721 3.998324  109.3640 4.583578  16.00812       6.082416  
1 1 1 42 1  5  o 74.58318 4.539360  56.43668       4.784062  59.02885       9.568124  53.84452       9.568124  76.32094 6.268348  72.84541 6.567417  3.475525       9.078719  
1 1 1 42 1  6  f 37.27843 7.613611  11.96492       5.274857  -3.459391      10.54971  27.38923       10.54971  24.14704 10.75620  50.40982 10.77833  -26.26278      15.22722  
1 1 1 42 1  7  o 136.2578 3.084730  187.0454       5.941957  192.9349       11.88391  181.1558       11.88391  138.4189 4.292734  134.0966 4.431103  4.322372       6.169460  
1 1 1 42 1  8  o 107.6662 3.731634  117.2190       5.679882  113.6548       11.35976  120.7833       11.35976  106.0109 5.357826  109.3214 5.195582  -3.310432      7.463269  
1 1 1 42 1  9  o 32.21453 8.826772  0.3621398      6.942607  19.17437       13.88521  -18.45009      13.88521  42.19247 14.04810  22.23658 10.69104  19.95589       17.65354  
1 1 1 42 1  10 o 102.5965 5.127758  108.0274       7.433403  102.8954       14.86681  113.1593       14.86681  100.0954 7.426315  105.0975 7.072866  -5.002029      10.25552  
1 1 1 42 1  11 o 44.22303 10.43105  20.70870       7.995674  11.62661       15.99135  29.79079       15.99135  37.53490 14.68764  50.91117 14.81555  -13.37627      20.86210  
1 1 1 42 1  12 f 51.27950 10.51714  30.74380       8.529353  43.08515       17.05871  18.40244       17.05871  60.68507 14.27745  41.87392 15.44654  18.81115       21.03428  
1 1 1 42 1  13 o 47.64745 10.89533  26.23134       9.120214  40.99808       18.24043  11.46459       18.24043  57.70333 15.48085  37.59157 15.33546  20.11176       21.79066  
1 1 1 42 1  14 o 27.84792 12.92948  -8.881963      17.29696  -8.881963      17.29696  ?              ?         27.84792 12.92948  ?        ?         ?              ?         
1 1 1 42 1  15 o 34.23664 14.76650  6.575703       18.41197  6.575703       18.41197  ?              ?         34.23664 14.76650  ?        ?         ?              ?         
1 1 1 42 2  0  o 18.55215 12.00106  0.6385102      10.13039  0.6385102      10.13039  0.6385102      10.13039  18.55215 12.00106  18.55215 12.00106  0.000000       0.000000  
1 1 1 42 2  1  o 132.9158 2.179334  177.2628       4.093137  168.9670       8.186274  185.5587       8.186274  129.7951 3.153538  136.0365 3.008852  -6.241440      4.358669  
1 1 1 42 2  2  o 152.3890 2.058815  234.3381       4.393332  272.0149       8.786663  196.6612       8.786663  164.7510 2.666649  140.0269 3.137491  24.72415       4.117629  
1 1 1 42 2  3  f 87.50497 2.819910  77.72195       3.435566  62.10704       6.871132  93.33686       6.871132  78.58268 4.371913  96.42728 3.562857  -17.84460      5.639821  
1 1 1 42 2  4  o 91.88385 3.799381  85.65092       4.893657  72.70441       9.787313  98.59742       9.787313  84.83881 5.768182  98.92889 4.946641  -14.09007      7.598762  
1 1 1 42 2  5  o 111.2524 3.488004  125.1337       5.465457  138.0516       10.93091  112.2158       10.93091  117.0581 4.669013  105.4467 5.183146  11.61136       6.976007  
1 1 1 42 2  6  o 176.6954 2.803911  314.8427       6.975962  348.5599       13.95192  281.1256       13.95192  186.2364 3.745756  167.1543 4.173366  19.08209       5.607823  
1 1 1 42 2  7  o 68.47229 5.539005  48.01692       5.355862  50.93787       10.71172  45.09598       10.71172  70.60523 7.585645  66.33936 8.073432  4.265877       11.07801  
1 1 1 42 2  8  o 38.35825 8.740757  14.45225       5.779948  5.946723       11.55990  22.95778       11.55990  30.97048 12.37538  45.74603 12.34720  -14.77555      17.48151  
1 1 1 42 2  9  o 95.77873 5.287873  94.31368       7.161798  95.80512       14.32360  92.82224       14.32360  96.55733 7.417147  95.00014 7.538723  1.557182       10.57575  
1 1 1 42 2  10 o 96.77817 5.328282  96.51036       7.261863  106.4406       14.52373  86.58009       14.52373  101.9086 7.125859  91.64774 7.923667  10.26085       10.65656  
1 1 1 42 2  11 o 118.6830 4.688581  148.3440       7.500113  198.6339       15.00023  98.05421       15.00023  139.8696 5.362218  97.49635 7.692711  42.37326       9.377163  
1 1 1 42 2  12 o 38.42765 9.941110  12.44619       7.728833  25.24498       15.45767  -0.3526102     15.45767  46.61309 14.79107  30.24220 13.28634  16.37089       19.88222  
1 1 1 42 2  13 o 57.58619 10.25068  40.22614       8.519823  29.74314       17.03965  50.70914       17.03965  49.31516 15.51405  65.85722 13.40225  -16.54206      20.50137  
1 1 1 42 2  14 o 33.87967 14.68744  4.612522       18.39291  4.612522       18.39291  ?              ?         33.87967 14.68744  ?        ?         ?              ?         
1 1 1 42 3  0  o 37.91926 13.83560  19.49839       9.634833  19.49839       9.634833  19.49839       9.634833  37.91926 13.83560  37.91926 13.83560  0.000000       0.000000  
1 1 1 42 3  1  o 61.07744 4.398228  38.97771       3.607106  25.14968       7.214212  52.80575       7.214212  49.75735 7.249393  72.39752 4.982362  -22.64017      8.796456  
1 1 1 42 3  2  o 132.7457 2.220243  176.8388       4.164612  168.5381       8.329224  185.1394       8.329224  129.6192 3.212959  135.8722 3.065095  -6.253021      4.440486  
1 1 1 42 3  3  o 126.6780 2.178544  160.9379       3.902537  158.5602       7.805074  163.3157       7.805074  125.7395 3.103667  127.6165 3.058018  -1.876991      4.357089  
1 1 1 42 3  4  o 56.80629 5.768961  33.06911       4.602992  37.42433       9.205984  28.71390       9.205984  60.63968 7.590726  52.97290 8.689334  7.666782       11.53792  
1 1 1 42 3  5  o 202.9247 2.388056  414.4026       6.828248  373.7858       13.65650  455.0196       13.65650  192.9168 3.539478  212.9326 3.206765  -20.01575      4.776112  
1 1 1 42 3  6  o 73.76910 5.410204  56.02689       5.565523  45.50577       11.13105  66.54802       11.13105  66.63799 8.351876  80.90022 6.879490  -14.26223      10.82041  
1 1 1 42 3  7  o 75.91086 5.554896  60.41069       5.727532  79.27057       11.45506  41.55082       11.45506  88.33324 6.484005  63.48848 9.021373  24.84476       11.10979  
1 1 1 42 3  8  o 69.19920 5.554904  49.15100       5.422573  53.06306       10.84515  45.23893       10.84515  72.02588 7.528644  66.37254 8.169904  5.653343       11.10981  
1 1 1 42 3  9  o 94.66995 5.713230  92.57446       7.647829  94.44234       15.29566  90.70657       15.29566  95.65647 7.995098  93.68343 8.163481  1.973045       11.42646  
1 1 1 42 3  10 o 41.57594 8.766558  17.45420       6.294568  4.031191       12.58914  30.87721       12.58914  30.41918 12.61736  52.73270 12.17425  -22.31353      17.53312  
1 1 1 42 3  11 o 98.49686 5.924264  100.7274       8.243454  95.55734       16.48691  105.8974       16.48691  95.87240 8.598360  101.1213 8.152043  -5.248917      11.84853  
1 1 1 42 3  12 o 25.14885 8.294401  -11.15487      7.304748  -7.223743      14.60950  -15.08600      14.60950  26.51576 12.13912  23.78193 11.30620  2.733829       16.58880  
1 1 1 42 3  13 o 42.16866 10.62773  20.17025       8.014733  19.87959       16.02947  20.46092       16.02947  41.96540 15.02262  42.37193 15.03714  -0.4065208     21.25546  
1 1 1 42 3  14 o 66.93896 9.325193  52.95346       8.610358  64.47047       17.22072  41.43645       17.22072  76.02382 11.32587  57.85410 14.81761  18.16972       18.65039  
1 1 1 42 3  15 o 34.20398 14.67112  7.061733       17.99265  7.061733       17.99265  ?              ?         34.20398 14.67112  ?        ?         ?              ?         
1 1 1 42 4  0  o 139.5240 4.281271  195.7558       11.92203  195.7558       11.92203  195.7558       11.92203  139.5240 4.281271  139.5240 4.281271  0.000000       0.000000  
1 1 1 42 4  1  o 95.58508 2.916414  92.00743       3.931127  99.96974       7.862253  84.04510       7.862253  99.75013 3.940974  91.42004 4.300071  8.330086       5.832828  
1 1 1 42 4  2  o 53.38474 4.722535  28.89021       3.564222  29.73361       7.128443  28.04680       7.128443  54.17467 6.579129  52.59481 6.776755  1.579865       9.445070  
1 1 1 42 4  3  o 66.02089 4.076178  46.04422       3.540397  65.09945       7.080793  26.98897       7.080793  80.45212 4.400626  51.58967 6.862608  28.86245       8.152355  
1 1 1 42 4  4  o 135.9389 2.494028  185.7874       4.784062  199.9967       9.568124  171.5782       9.568124  141.1652 3.388981  130.7125 3.659987  10.45267       4.988056  
1 1 1 42 4  5  o 63.64517 5.600097  41.70330       4.979427  49.00328       9.958854  34.40331       9.958854  69.38008 7.177028  57.91026 8.598523  11.46983       11.20019  
1 1 1 42 4  6  o 106.1041 3.583962  113.7215       5.370157  120.6880       10.74031  106.7551       10.74031  109.3870 4.909321  102.8213 5.222806  6.565659       7.167924  
1 1 1 42 4  7  f 104.5595 3.753815  111.7679       5.451162  87.77134       10.90232  135.7644       10.90232  93.08445 5.856147  116.0346 4.697877  -22.95013      7.507630  
1 1 1 42 4  8  o 98.04170 4.411197  97.73972       6.108732  92.25043       12.21746  103.2290       12.21746  95.24223 6.413890  100.8412 6.057776  -5.598930      8.822394  
1 1 1 42 4  9  o 48.18165 7.846950  25.42605       5.818067  41.19821       11.63613  9.653894       11.63613  62.84703 9.257505  33.51626 12.67269  29.33078       15.69390  
1 1 1 42 4  10 o 38.39220 9.264441  13.04181       6.732948  25.22592       13.46590  0.8577003      13.46590  47.37741 13.53384  29.40699 12.65522  17.97042       18.52888  
1 1 1 42 4  11 o 49.93272 9.723843  28.29458       7.390518  18.17372       14.78104  38.41545       14.78104  41.47816 14.46712  58.38726 12.99672  -16.90910      19.44769  
1 1 1 42 4  12 o 55.23939 10.13034  36.00435       8.491233  51.55732       16.98247  20.45139       16.98247  67.26295 13.09105  43.21584 15.46349  24.04711       20.26068  
1 1 1 42 4  13 o 103.4279 5.888097  112.9019       8.605594  107.9654       17.21119  117.8385       17.21119  101.0415 8.516895  105.8144 8.132727  -4.772926      11.77619  
1 1 1 42 4  14 o 57.58257 9.648900  40.14991       7.833663  48.87939       15.66733  31.42042       15.66733  64.74545 12.54696  50.41969 14.66216  14.32576       19.29780  
1 1 1 42 4  15 o 64.64878 10.16915  52.21013       9.072563  56.71305       18.14513  47.70720       18.14513  68.06345 13.81077  61.23412 14.93015  6.829327       20.33831  
1 1 1 42 5  0  o 106.2407 5.452932  114.2647       11.52177  114.2647       11.52177  114.2647       11.52177  106.2407 5.452932  106.2407 5.452932  0.000000       0.000000  
1 1 1 42 5  1  o 115.3607 2.386310  133.5440       3.893007  134.8114       7.786013  132.2765       7.786013  115.9101 3.358643  114.8114 3.390784  1.098717       4.772620  
1 1 1 42 5  2  o 26.95770 6.937775  3.640462       3.954952  -4.765002      7.909904  12.04593       7.909904  19.81998 9.025366  34.09543 10.53915  -14.27545      13.87555  
1 1 1 42 5  3  o 100.3965 2.500566  101.1800       3.549927  99.36935       7.099854  102.9907       7.099854  99.49474 3.567954  101.2983 3.504429  -1.803558      5.001132  
1 1 1 42 5  4  o 102.3489 3.199167  106.9981       4.526752  132.7244       9.053504  81.27187       9.053504  114.9168 3.939157  89.78094 5.041996  25.13583       6.398334  
1 1 1 42 5  5  o 149.5523 2.752034  225.0320       5.813303  212.1665       11.62661  237.8975       11.62661  145.2510 4.002247  153.8537 3.778463  -8.602676      5.504068  
1 1 1 42 5  6  o 172.7899 2.671237  300.2380       6.523287  312.6032       13.04657  287.8728       13.04657  176.3680 3.698679  169.2119 3.855101  7.156174       5.342474  
1 1 1 42 5  7  o 163.6824 2.943320  269.7754       6.809187  259.0922       13.61837  280.4585       13.61837  160.4190 4.244627  166.9457 4.078683  -6.526749      5.886639  
1 1 1 42 5  8  o 34.32139 8.812263  10.37817       5.665587  15.04788       11.33117  5.708472       11.33117  38.11377 12.69050  30.52900 12.23009  7.584770       17.62453  
1 1 1 42 5  9  o 32.46126 9.069412  7.257098       6.213562  4.145552       12.42712  10.36865       12.42712  30.32620 12.55470  34.59631 13.09185  -4.270113      18.13882  
1 1 1 42 5  10 o 98.01428 4.951694  98.48782       6.856837  93.52747       13.71367  103.4482       13.71367  95.48385 7.181149  100.5447 6.819690  -5.060860      9.903387  
1 1 1 42 5  11 o 35.33198 10.21567  7.676417       8.119563  10.01603       16.23913  5.336802       16.23913  36.64687 14.65766  34.01709 14.23350  2.629780       20.43134  
1 1 1 42 5  12 o 51.77332 9.813615  31.27747       7.333338  30.12434       14.66668  32.43060       14.66668  50.77969 13.99846  52.76695 13.75759  -1.987259      19.62723  
1 1 1 42 5  13 o 39.80310 10.83016  16.07235       8.600828  17.40179       17.20166  14.74292       17.20166  40.63480 15.39522  38.97140 15.23668  1.663395       21.66032  
1 1 1 42 5  14 o 37.08781 15.82587  8.958203       20.74682  8.958203       20.74682  ?              ?         37.08781 15.82587  ?        ?         ?              ?         
1 1 1 42 6  0  o 175.1142 3.900896  307.8096       13.64697  307.8096       13.64697  307.8096       13.64697  175.1142 3.900896  175.1142 3.900896  0.000000       0.000000  
1 1 1 42 6  1  o 51.43808 5.071589  26.91750       3.678581  29.24758       7.357163  24.58741       7.357163  53.70302 6.849859  49.17313 7.480876  4.529884       10.14318  
1 1 1 42 6  2  o 64.77219 4.029062  42.37993       3.688112  40.56923       7.376224  44.19063       7.376224  63.37444 5.819557  66.16993 5.573698  -2.795490      8.058124  
1 1 1 42 6  3  o 117.9735 2.317363  139.9052       3.854887  127.5591       7.709774  152.2513       7.709774  112.7409 3.419243  123.2061 3.128812  -10.46516      4.634726  
1 1 1 42 6  4  o 155.1458 2.399790  241.6380       5.265327  242.6625       10.53065  240.6135       10.53065  155.4760 3.386586  154.8156 3.401031  0.6603394      4.799581  
1 1 1 42 6  5  o 73.87048 4.839588  55.46939       5.055667  56.00784       10.11133  54.93095       10.11133  74.23494 6.810360  73.50603 6.877894  0.7289047      9.679175  
1 1 1 42 6  6  o 85.87282 4.457873  75.58246       5.327272  60.31540       10.65454  90.84953       10.65454  76.98347 6.920021  94.76217 5.621729  -17.77869      8.915746  
1 1 1 42 6  7  o 155.9530 2.903566  245.3452       6.380337  221.2676       12.76067  269.4227       12.76067  148.2335 4.304248  163.6725 3.898235  -15.43898      5.807133  
1 1 1 42 6  8  o 64.55564 5.945971  42.98985       5.427337  42.03685       10.85467  43.94285       10.85467  63.81752 8.504463  65.29376 8.312183  -1.476242      11.89194  
1 1 1 42 6  9  o 78.68903 5.700076  64.61819       6.223093  78.58440       12.44619  50.65197       12.44619  87.56333 7.106962  69.81471 8.913727  17.74862       11.40015  
1 1 1 42 6  10 o 51.63710 10.28416  30.48648       7.828898  29.78126       15.65780  31.19170       15.65780  51.04896 14.59737  52.22523 14.49045  -1.176270      20.56833  
1 1 1 42 6  11 o 41.22955 9.438962  17.63050       6.737713  27.52265       13.47543  7.738363       13.47543  49.15951 13.35907  33.29958 13.33834  15.85993       18.87792  
1 1 1 42 6  12 o 46.78789 9.476066  23.98226       7.523938  6.909253       15.04788  41.05525       15.04788  33.65174 13.86184  59.92403 12.92411  -26.27229      18.95213  
1 1 1 42 6  13 o 27.60801 8.847847  -5.141437      7.514408  -0.4288501     15.02882  -9.854024      15.02882  29.50639 13.02273  25.70963 11.98107  3.796761       17.69569  
1 1 1 42 6  14 o 48.28056 16.18932  29.65737       18.44056  29.65737       18.44056  ?              ?         48.28056 16.18932  ?        ?         ?              ?         
1 1 1 42 7  0  o 101.5593 6.203593  104.8777       12.50336  104.8777       12.50336  104.8777       12.50336  101.5593 6.203593  101.5593 6.203593  0.000000       0.000000  
1 1 1 42 7  1  o 101.7532 2.700686  104.3726       3.864417  91.66911       7.728833  117.0761       7.728833  95.51091 4.046047  107.9955 3.578312  -12.48461      5.401371  
1 1 1 42 7  2  o 127.9589 2.399576  164.3354       4.340917  159.5609       8.681833  169.1099       8.681833  126.0932 3.442625  129.8245 3.343680  -3.731300      4.799153  
1 1 1 42 7  3  o 136.3626 2.312806  186.5832       4.460042  185.0727       8.920084  188.0937       8.920084  135.8088 3.284060  136.9165 3.257491  -1.107697      4.625613  
1 1 1 42 7  4  o 21.56947 5.996999  -3.121077      3.411741  8.348284       6.823483  -14.59044      6.823483  29.23701 9.847929  13.90194 6.846479  15.33507       11.99400  
1 1 1 42 7  5  o 143.3688 2.619665  206.6248       5.308212  198.3003       10.61642  214.9492       10.61642  140.4656 3.779012  146.2720 3.629002  -5.806335      5.239331  
1 1 1 42 7  6  o 45.76516 7.809824  22.79577       5.036607  27.19863       10.07321  18.39291       10.07321  50.29463 10.36853  41.23570 11.68191  9.058929       15.61965  
1 1 1 42 7  7  o 44.07092 8.278025  21.06607       5.470222  29.06651       10.94044  13.06564       10.94044  51.85732 10.89448  36.28453 12.46648  15.57279       16.55605  
1 1 1 42 7  8  o 55.42844 7.551345  33.16442       5.770417  26.69354       11.54083  39.63528       11.54083  49.14913 11.85944  61.70776 9.351202  -12.55863      15.10269  
1 1 1 42 7  9  o 98.50228 4.532436  99.06438       6.304098  105.2875       12.60820  92.84130       12.60820  101.6611 6.201088  95.34342 6.611990  6.317719       9.064873  
1 1 1 42 7  10 o 27.81028 8.396346  -3.640462      6.437518  9.196454       12.87504  -16.47738      12.87504  33.98435 13.20340  21.63620 10.37616  12.34815       16.79269  
1 1 1 42 7  11 o 61.27609 9.081771  42.38946       7.619238  41.28398       15.23848  43.49494       15.23848  60.36987 12.99305  62.18231 12.69232  -1.812439      18.16354  
1 1 1 42 7  12 o 33.40435 9.867217  3.954952       8.090974  12.98940       16.18195  -5.079492      16.18195  37.96668 14.79160  28.84202 13.06355  9.124662       19.73443  
1 1 1 42 7  13 o 71.83488 10.19248  61.33511       9.996975  57.59935       19.99395  65.07086       19.99395  69.21231 14.87148  74.45747 13.94224  -5.245155      20.38497  
1 1 1 42 7  14 o 40.27184 15.40299  18.09748       17.35414  18.09748       17.35414  ?              ?         40.27184 15.40299  ?        ?         ?              ?         
1 1 1 42 8  0  o 122.1715 4.912041  150.5169       11.96015  150.5169       11.96015  150.5169       11.96015  122.1715 4.912041  122.1715 4.912041  0.000000       0.000000  
1 1 1 42 8  1  f 83.55280 3.240787  70.40290       3.816766  76.94526       7.633533  63.86055       7.633533  87.46790 4.363620  79.63770 4.792663  7.830200       6.481574  
1 1 1 42 8  2  o 129.4938 2.414613  168.2951       4.421922  168.5953       8.843843  167.9949       8.843843  129.6098 3.411720  129.3779 3.417833  0.2318268      4.829226  
1 1 1 42 8  3  o 91.95937 3.067043  85.16964       3.983541  90.13477       7.967083  80.20451       7.967083  94.65900 4.208307  89.25973 4.462865  5.399277       6.134087  
1 1 1 42 8  4  o 94.48589 2.775679  90.39209       3.669051  105.5448       7.338103  75.23938       7.338103  102.5044 3.579409  86.46739 4.243278  16.03699       5.551359  
1 1 1 42 8  5  o 39.80611 7.598803  16.43926       4.869832  5.632232       9.739664  27.24628       9.739664  29.11232 11.44507  50.49990 9.998878  -21.38758      15.19761  
1 1 1 42 8  6  f 71.51649 5.361825  52.26254       5.422573  51.58591       10.84515  52.93917       10.84515  71.04343 7.632756  71.98956 7.532443  -0.9461212     10.72365  
1 1 1 42 8  7  o 82.97731 4.732582  70.53156       5.494047  82.19628       10.98809  58.86684       10.98809  90.00618 6.104078  75.94845 7.233917  14.05773       9.465164  
1 1 1 42 8  8  o 80.37154 5.604627  66.72909       6.346982  73.12372       12.69396  60.33445       12.69396  84.34970 7.524605  76.39337 8.308290  7.956329       11.20925  
1 1 1 42 8  9  o 28.53934 8.594593  1.410440       6.108732  -0.4097902     12.21746  3.230671       12.21746  27.48901 11.94449  29.58966 12.36112  -2.100651      17.18919  
1 1 1 42 8  10 o 79.18326 6.229286  65.87139       6.856837  79.28011       13.71367  52.46267       13.71367  87.65015 7.822962  70.71637 9.696252  16.93378       12.45857  
1 1 1 42 8  11 o 44.98099 9.741331  22.80530       6.971198  29.37147       13.94240  16.23913       13.94240  50.51485 13.52663  39.44712 14.02157  11.06773       19.48266  
1 1 1 42 8  12 o 59.05339 9.557893  40.71694       8.372108  59.39098       16.74422  22.04290       16.74422  73.92001 11.32590  44.18678 15.39926  29.73322       19.11579  
1 1 1 42 8  13 o 70.89469 9.696889  58.96214       9.482354  69.55950       18.96471  48.36477       18.96471  78.93361 12.01308  62.85578 15.22513  16.07783       19.39378  
1 1 1 42 8  14 o 36.10847 15.47995  8.634183       20.01301  8.634183       20.01301  ?              ?         36.10847 15.47995  ?        ?         ?              ?         
1 1 1 42 9  0  o 184.5237 4.081934  341.8698       15.04788  341.8698       15.04788  341.8698       15.04788  184.5237 4.081934  184.5237 4.081934  0.000000       0.000000  
1 1 1 42 9  1  o 220.2866 2.005225  486.4924       6.246917  485.8300       12.49383  487.1547       12.49383  220.1362 2.837751  220.4369 2.833880  -0.3006744     4.010450  
1 1 1 42 9  2  o 75.68718 3.813504  59.40528       3.912067  78.64159       7.824133  40.16896       7.824133  88.39495 4.425667  62.97940 6.211660  25.41555       7.627008  
1 1 1 42 9  3  o 88.58280 3.125432  79.04662       3.912067  82.77761       7.824133  75.31562       7.824133  90.68874 4.313729  86.47687 4.523830  4.211868       6.250864  
1 1 1 42 9  4  o 46.98488 5.896711  24.55882       3.669051  38.04378       7.338103  11.07386       7.338103  61.29415 5.985973  32.67562 10.16135  28.61853       11.79342  
1 1 1 42 9  5  o 25.59135 7.618180  0.9530005E-01  4.879362  -5.403512      9.758724  5.594112       9.758724  22.09983 10.05317  29.08286 11.44904  -6.983036      15.23636  
1 1 1 42 9  6  f 93.99928 4.140135  91.49280       5.312977  64.45141       10.62595  118.5342       10.62595  79.61545 6.673300  108.3831 4.902034  -28.76766      8.280270  
1 1 1 42 9  7  o 111.3517 3.818372  125.5435       6.008667  130.9708       12.01733  120.1162       12.01733  113.7887 5.280546  108.9147 5.516856  4.874046       7.636744  
1 1 1 42 9  8  o 101.8893 4.075005  105.6687       5.860952  98.37823       11.72190  112.9591       11.72190  98.31161 5.961607  105.4669 5.557149  -7.155273      8.150010  
1 1 1 42 9  9  o 42.91971 9.503237  20.07019       6.508993  24.43493       13.01799  15.70545       13.01799  46.72095 13.29430  39.11847 13.58336  7.602486       19.00647  
1 1 1 42 9  10 o 142.7760 3.720093  206.8583       7.509643  212.0235       15.01929  201.6930       15.01929  144.5848 5.193936  140.9671 5.327232  3.617737       7.440186  
1 1 1 42 9  11 o 53.23558 9.222477  32.61167       6.956903  38.98725       13.91381  26.23610       13.91381  58.81697 12.23357  47.65419 13.80420  11.16277       18.44495  
1 1 1 42 9  12 o 91.33835 7.048175  90.00137       8.977263  106.1357       17.95453  73.86706       17.95453  100.1705 8.961983  82.50620 10.88072  17.66431       14.09635  
1 1 1 42 9  13 o 57.55900 9.730189  39.69723       7.824133  40.84560       15.64827  38.54887       15.64827  58.51700 13.61465  56.60099 13.90495  1.916004       19.46038  
1 1 1 42 9  14 o 44.42061 16.17033  24.97814       18.64069  24.97814       18.64069  ?              ?         44.42061 16.17033  ?        ?         ?              ?         
1 1 1 42 10 0  o 29.47535 15.26413  13.30389       11.48365  13.30389       11.48365  13.30389       11.48365  29.47535 15.26413  29.47535 15.26413  0.000000       0.000000  
1 1 1 42 10 1  o 36.80180 7.251337  14.42366       3.950187  11.93157       7.900373  16.91576       7.900373  33.89785 10.54387  39.70573 9.957629  -5.807880      14.50267  
1 1 1 42 10 2  o 73.71130 3.958942  54.96906       4.121727  58.12350       8.243454  51.81463       8.243454  75.85103 5.433976  71.57158 5.758888  4.279449       7.917884  
1 1 1 42 10 3  o 28.49087 7.350672  6.942607       3.883476  5.374923       7.766953  8.510294       7.766953  26.93277 10.30355  30.04897 10.48648  -3.116199      14.70134  
1 1 1 42 10 4  o 135.7608 2.273656  185.0060       4.364742  181.6038       8.729484  188.4082       8.729484  134.5078 3.244974  137.0138 3.185622  -2.506042      4.547312  
1 1 1 42 10 5  o 80.72115 4.506495  66.72432       5.074727  54.30196       10.14945  79.14668       10.14945  73.02654 6.949155  88.41576 5.739619  -15.38922      9.012989  
1 1 1 42 10 6  o 77.58192 4.584855  61.28268       5.012782  55.46462       10.02556  67.10075       10.02556  73.83229 6.789417  81.33155 6.163392  -7.499260      9.169710  
1 1 1 42 10 7  o 78.63126 5.031409  63.35546       5.575052  57.32297       11.15010  69.38795       11.15010  74.79533 7.453744  82.46720 6.760327  -7.671875      10.06282  
1 1 1 42 10 8  o 72.50204 6.117147  55.83629       6.013433  73.40962       12.02687  38.26297       12.02687  84.62123 7.106293  60.38284 9.958844  24.23839       12.23429  
1 1 1 42 10 9  o 183.3405 3.003795  340.1544       7.752658  377.3310       15.50532  302.9778       15.50532  193.4792 4.006972  173.2019 4.476082  20.27733       6.007590  
1 1 1 42 10 10 o 101.0102 4.976442  105.0731       7.071262  92.94612       14.14252  117.2000       14.14252  95.00734 7.442860  107.0130 6.607854  -12.00565      9.952885  
1 1 1 42 10 11 o 87.20668 6.387653  80.19974       7.862253  85.72238       15.72451  74.67711       15.72451  90.37309 8.699773  84.04027 9.355341  6.332817       12.77531  
1 1 1 42 10 12 o 86.82068 6.117704  79.98532       7.466758  89.49627       14.93352  70.47438       14.93352  92.29803 8.089835  81.34334 9.179312  10.95469       12.23541  
1 1 1 42 10 13 o 52.69954 15.55494  34.99417       17.50662  34.99417       17.50662  ?              ?         52.69954 15.55494  ?        ?         ?              ?         
1 1 1 42 11 0  o 19.31789 12.71986  -0.7814603     12.02687  -0.7814603     12.02687  -0.7814603     12.02687  19.31789 12.71986  19.31789 12.71986  0.000000       0.000000  
1 1 1 42 11 1  o 41.94855 6.918539  18.70740       4.274207  26.75072       8.548413  10.66407       8.548413  51.09867 8.364614  32.79844 11.02261  18.30022       13.83708  
1 1 1 42 11 2  o 36.20007 7.116611  13.73750       3.993072  7.547763       7.986144  19.92724       7.986144  29.24771 10.59031  43.15243 9.509460  -13.90471      14.23322  
1 1 1 42 11 3  o 48.76067 6.049796  25.95020       3.907302  14.43796       7.814603  37.46244       7.814603  36.75741 10.24946  60.76394 6.430297  -24.00653      12.09959  
1 1 1 42 11 4  o 168.0313 2.239940  283.4032       5.322507  279.8867       10.64501  286.9198       10.64501  166.9849 3.187418  169.0777 3.147965  -2.092804      4.479880  
1 1 1 42 11 5  o 80.42197 3.611641  65.60931       4.078841  74.46745       8.157682  56.75117       8.157682  85.92925 4.746744  74.91467 5.444650  11.01458       7.223281  
1 1 1 42 11 6  o 109.5812 3.529881  121.2598       5.470222  122.0031       10.94044  120.5164       10.94044  109.9204 4.976531  109.2421 5.007432  0.6783371      7.059762  
1 1 1 42 11 7  o 38.35245 8.206323  15.70068       4.969897  20.49904       9.939795  10.90232       9.939795  43.16814 11.35859  33.53676 11.84725  9.631386       16.41265  
1 1 1 42 11 8  o 73.78702 5.804797  56.36997       6.032492  50.67103       12.06498  62.06891       12.06498  69.92526 8.627057  77.64877 7.768948  -7.723511      11.60959  
1 1 1 42 11 9  o 83.44134 5.913719  73.15231       6.804423  91.19261       13.60885  55.11201       13.60885  94.25150 7.219432  72.63117 9.368462  21.62033       11.82744  
1 1 1 42 11 10 o 226.5738 3.005585  518.8754       9.620539  545.9835       19.24108  491.7673       19.24108  232.5560 4.136871  220.5916 4.361245  11.96436       6.011169  
1 1 1 42 11 11 o 196.7307 3.146823  392.5456       8.739014  365.4756       17.47803  419.6156       17.47803  189.8507 4.603098  203.6106 4.292023  -13.75992      6.293645  
1 1 1 42 11 12 o 58.83810 10.41015  42.10832       8.758074  50.78539       17.51615  33.43126       17.51615  65.60622 13.78662  52.06997 15.60172  13.53626       20.82029  
1 1 1 42 11 13 o 32.87469 14.15389  4.593462       16.85858  4.593462       16.85858  ?              ?         32.87469 14.15389  ?        ?         ?              ?         
1 1 1 42 11 14 o 45.14910 15.58506  25.94067       17.11589  25.94067       17.11589  ?              ?         45.14910 15.58506  ?        ?         ?              ?         
1 1 1 42 12 0  o 97.85552 6.645693  97.80643       12.88457  97.80643       12.88457  97.80643       12.88457  97.85552 6.645693  97.85552 6.645693  0.000000       0.000000  
1 1 1 42 12 1  o 101.5671 2.965490  103.8675       4.255147  98.44494       8.510294  109.2901       8.510294  98.89767 4.302576  104.2366 4.082201  -5.338905      5.930980  
1 1 1 42 12 2  o 48.97803 6.567402  26.12174       4.369507  37.41479       8.739014  14.82869       8.739014  60.61254 7.208915  37.34353 10.97974  23.26900       13.13480  
1 1 1 42 12 3  o 115.8786 2.822357  135.5738       4.598227  118.8105       9.196454  152.3371       9.196454  108.6455 4.232322  123.1117 3.735003  -14.46624      5.644714  
1 1 1 42 12 4  o 41.90207 6.528099  18.85035       3.945422  10.41630       7.890843  27.28440       7.890843  32.13713 10.59018  51.66701 7.636250  -19.52988      13.05620  
1 1 1 42 12 5  o 124.3284 2.912538  155.6345       5.117613  149.1160       10.23522  162.1530       10.23522  121.7069 4.204865  126.9499 4.031206  -5.242981      5.825077  
1 1 1 42 12 6  o 65.48669 5.892191  44.84344       5.312977  33.41219       10.62595  56.27467       10.62595  56.75879 9.360625  74.21461 7.158937  -17.45582      11.78438  
1 1 1 42 12 7  o 33.99926 8.506567  10.89279       5.231973  6.585233       10.46395  15.20036       10.46395  30.22937 11.86973  37.76915 12.18837  -7.539780      17.01313  
1 1 1 42 12 8  o 28.19753 8.073957  3.850121       5.108082  0.1238900      10.21616  7.576353       10.21616  25.56073 11.01170  30.83433 11.81091  -5.273600      16.14791  
1 1 1 42 12 9  o 27.78044 8.411919  -1.315140      6.199268  7.195153       12.39854  -9.825435      12.39854  32.23579 12.83681  23.32510 10.87464  8.910690       16.82384  
1 1 1 42 12 10 o 107.1689 4.993842  118.4913       7.542998  107.5652       15.08600  129.4174       15.08600  102.0713 7.389935  112.2665 6.718832  -10.19525      9.987684  
1 1 1 42 12 11 o 67.33757 8.035531  49.77044       7.481052  47.27835       14.96210  52.26254       14.96210  64.98198 11.96054  69.69315 10.73427  -4.711174      16.07106  
1 1 1 42 12 12 o 92.54214 6.761175  91.74534       8.848608  92.02171       17.69722  91.46898       17.69722  92.69146 9.546305  92.39281 9.577161  0.2986450      13.52235  
1 1 1 42 12 13 o 52.95567 10.42516  34.81787       8.090974  34.65110       16.18195  34.98465       16.18195  52.81884 14.75585  53.09249 14.73096  -0.2736511     20.85033  
1 1 1 42 13 0  o 17.68739 11.78076  -1.906001      10.76890  -1.906001      10.76890  -1.906001      10.76890  17.68739 11.78076  17.68739 11.78076  0.000000       0.000000  
1 1 1 42 13 1  o 117.5762 2.821772  139.0952       4.688762  133.1818       9.377523  145.0085       9.377523  115.0615 4.075006  120.0909 3.904345  -5.029396      5.643543  
1 1 1 42 13 2  o 75.93910 4.281581  58.90495       4.541047  48.38383       9.082094  69.42608       9.082094  69.01176 6.580107  82.86644 5.479959  -13.85468      8.563163  
1 1 1 42 13 3  o 23.84001 7.218338  -0.2239551     4.393332  2.382501       8.786663  -2.830411      8.786663  25.56317 10.56824  22.11685 9.835132  3.446321       14.43668  
1 1 1 42 13 4  o 84.65359 3.638080  72.38038       4.355212  73.23808       8.710423  71.52267       8.710423  85.16019 5.114141  84.14700 5.175719  1.013191       7.276159  
1 1 1 42 13 5  o 155.6353 2.459664  244.8067       5.365392  282.2597       10.73078  207.3538       10.73078  167.6676 3.200017  143.6031 3.736266  24.06453       4.919329  
1 1 1 42 13 6  o 58.76308 6.339286  35.83758       5.265327  37.14795       10.53065  34.52720       10.53065  59.87805 8.793418  57.64812 9.133563  2.229931       12.67857  
1 1 1 42 13 7  f 47.14882 8.045081  24.57788       5.332037  20.83259       10.66407  28.32317       10.66407  43.40060 11.92426  50.89705 10.80302  -7.496452      16.09016  
1 1 1 42 13 8  o 32.77929 8.840448  8.495998       5.799007  12.27464       11.59801  4.717352       11.59801  35.62704 12.77597  29.93154 12.22247  5.695501       17.68090  
1 1 1 42 13 9  o 97.44360 4.699348  97.78737       6.408928  113.5977       12.81786  81.97710       12.81786  105.5561 6.071582  89.33108 7.174355  16.22505       9.398696  
1 1 1 42 13 10 o 63.80697 7.827871  44.47176       6.890193  48.25994       13.78039  40.68359       13.78039  67.27009 10.24258  60.34386 11.84026  6.926231       15.65574  
1 1 1 42 13 11 o 27.96952 8.900415  -4.736412      7.481052  0.8958204      14.96210  -10.36865      14.96210  30.29981 13.19285  25.63923 11.95066  4.660572       17.80083  
1 1 1 42 13 12 o 29.40115 9.065477  -9.248869      8.143388  13.16094       16.28678  -31.65867      16.28678  37.55841 14.78912  21.24389 10.48873  16.31453       18.13095  
1 1 1 42 13 13 o 86.48500 8.223581  86.00829       9.530005  106.2881       19.06001  65.72844       19.06001  98.70496 9.655041  74.26505 13.31501  24.43992       16.44716  
1 1 1 42 14 0  o 73.37598 8.954997  56.97989       12.81786  56.97989       12.81786  56.97989       12.81786  73.37598 8.954997  73.37598 8.954997  0.000000       0.000000  
1 1 1 42 14 1  o 73.62154 4.787110  55.29784       4.960367  61.42087       9.920734  49.17482       9.920734  77.77999 6.377433  69.46310 7.141011  8.316895       9.574220  
1 1 1 42 14 2  o 93.45273 3.552899  88.42415       4.674467  78.85126       9.348933  97.99703       9.348933  88.33094 5.291993  98.57451 4.742065  -10.24357      7.105798  
1 1 1 42 14 3  o 75.22299 4.255183  58.43798       4.393332  42.48476       8.786663  74.39121       8.786663  64.61904 6.798820  85.82695 5.118825  -21.20791      8.510365  
1 1 1 42 14 4  o 22.76563 7.010661  -1.944121      4.345681  -6.051552      8.691362  2.163311       8.691362  20.25451 9.310392  25.27676 10.48399  -5.022257      14.02132  
1 1 1 42 14 5  o 125.9503 2.888294  159.9373       5.136672  149.7354       10.27334  170.1392       10.27334  121.9003 4.213830  130.0002 3.951279  -8.099915      5.776588  
1 1 1 42 14 6  o 26.66404 7.487968  -2.592161      5.165262  12.60820       10.33052  -17.79252      10.33052  35.27005 12.11438  18.05802 8.804571  17.21204       14.97594  
1 1 1 42 14 7  o 41.76225 8.958579  19.11719       5.751357  19.04095       11.50271  19.19343       11.50271  41.68807 12.67383  41.83644 12.66485  -0.1483650     17.91716  
1 1 1 42 14 8  o 105.2900 3.996264  112.8257       5.937192  104.2487       11.87438  121.4027       11.87438  101.2169 5.865809  109.3630 5.428885  -8.146072      7.992528  
1 1 1 42 14 9  o 91.33272 5.134702  88.67192       6.270743  120.8119       12.54149  56.53198       12.54149  108.9277 5.756794  73.73774 8.504116  35.18996       10.26940  
1 1 1 42 14 10 o 135.2565 3.588518  186.0876       6.861602  180.3077       13.72320  191.8676       13.72320  133.1198 5.154457  137.3931 4.994139  -4.273331      7.177036  
1 1 1 42 14 11 f 118.5583 4.022877  144.9371       6.675768  168.2427       13.35154  121.6314       13.35154  128.3870 5.199721  108.7295 6.139794  19.65753       8.045754  
1 1 1 42 14 12 o 120.2099 5.202204  152.3609       8.734248  178.6971       17.46850  126.0248       17.46850  131.1642 6.659021  109.2557 7.994321  21.90848       10.40441  
1 1 1 42 14 13 o 32.21086 14.19481  2.830411       17.76393  2.830411       17.76393  ?              ?         32.21086 14.19481  ?        ?         ?              ?         
1 1 1 42 15 0  o 18.02233 12.26550  -5.260562      12.87504  -5.260562      12.87504  -5.260562      12.87504  18.02233 12.26550  18.02233 12.26550  0.000000       0.000000  
1 1 1 42 15 1  o 35.54917 7.677335  12.57960       4.564872  20.07019       9.129744  5.089022       9.129744  43.05627 10.64786  28.04207 11.06296  15.01420       15.35467  
1 1 1 42 15 2  o 170.9908 2.380893  293.6718       5.756122  286.5100       11.51224  300.8336       11.51224  168.8966 3.408075  173.0850 3.325604  -4.188431      4.761787  
1 1 1 42 15 3  o 113.4304 3.050668  129.5842       4.893657  128.8170       9.787313  130.3514       9.787313  113.0922 4.327138  113.7686 4.301414  -0.6763306     6.101335  
1 1 1 42 15 4  o 133.9119 2.717841  180.4458       5.146202  184.1959       10.29240  176.6958       10.29240  135.3121 3.803210  132.5117 3.883584  2.800400       5.435681  
1 1 1 42 15 5  o 94.85146 4.007079  91.35938       5.374923  90.50645       10.74985  92.21232       10.74985  94.40184 5.693663  95.30106 5.639939  -0.8992233     8.014157  
1 1 1 42 15 6  f 70.83441 5.271252  51.59068       5.274857  48.91751       10.54971  54.26384       10.54971  68.94749 7.650542  72.72132 7.253522  -3.773827      10.54250  
1 1 1 42 15 7  o 134.0376 3.182321  181.5370       6.027727  173.4270       12.05545  189.6471       12.05545  131.0123 4.600887  137.0629 4.397783  -6.050583      6.364641  
1 1 1 42 15 8  o 24.17781 7.540522  -7.123677      5.565523  5.165262       11.13105  -19.41262      11.13105  29.73859 12.03498  18.61704 9.088293  11.12154       15.08104  
1 1 1 42 15 9  o 92.23665 4.687021  87.29485       6.113498  86.22747       12.22700  88.36220       12.22700  91.65805 6.669897  92.81524 6.586739  -1.157188      9.374042  
1 1 1 42 15 10 o 46.47655 8.434299  24.23480       6.213562  39.33986       12.42712  9.129744       12.42712  59.72779 10.79915  33.22532 12.95870  26.50247       16.86860  
1 1 1 42 15 11 o 91.02661 5.220108  86.44189       6.718653  88.28596       13.43731  84.59785       13.43731  92.03954 7.299746  90.01369 7.464035  2.025841       10.44022  
1 1 1 42 15 12 o 62.12377 8.683460  45.16269       7.428638  32.00175       14.85728  58.32362       14.85728  51.20390 14.07758  73.04364 10.17014  -21.83974      17.36692  
1 1 1 42 15 13 o 54.05430 8.800300  35.15619       6.971198  21.70935       13.94240  48.60302       13.94240  42.12471 14.07700  65.98389 10.56500  -23.85918      17.60060  
1 1 1 42 15 14 f 29.78572 12.49847  7.976613       12.57960  7.976613       12.57960  ?              ?         29.78572 12.49847  ?        ?         ?              ?         
1 1 1 42 16 0  o 24.98985 14.84360  7.833663       12.66537  7.833663       12.66537  7.833663       12.66537  24.98985 14.84360  24.98985 14.84360  0.000000       0.000000  
1 1 1 42 16 1  o 108.0628 3.145677  117.7241       4.803122  123.3754       9.606244  112.0728       9.606244  110.6776 4.339743  105.4479 4.554971  5.229645       6.291353  
1 1 1 42 16 2  f 40.60314 7.789736  17.81634       4.660172  21.95713       9.320344  13.67556       9.320344  45.04125 10.52542  36.16503 11.48632  8.876217       15.57947  
1 1 1 42 16 3  o 127.6816 2.931824  164.1972       5.293917  165.0120       10.58783  163.3824       10.58783  128.0007 4.135850  127.3625 4.156574  0.6381607      5.863647  
1 1 1 42 16 4  o 99.05418 3.449197  99.27404       4.826947  94.21362       9.653894  104.3345       9.653894  96.49980 5.002028  101.6086 4.750533  -5.108749      6.898395  
1 1 1 42 16 5  o 115.2672 3.212993  134.4922       5.222442  146.1617       10.44488  122.8227       10.44488  120.3291 4.340133  110.2052 4.738833  10.12386       6.425985  
1 1 1 42 16 6  o 27.31678 7.780174  3.969247       4.679232  1.381850       9.358463  6.556643       9.358463  25.36503 10.71813  29.26853 11.28034  -3.903503      15.56035  
1 1 1 42 16 7  o 60.88616 5.903721  38.40115       5.079492  36.70958       10.15898  40.09273       10.15898  59.49704 8.537387  62.27529 8.156512  -2.778255      11.80744  
1 1 1 42 16 8  o 152.6882 3.033075  235.9343       6.528053  257.7008       13.05611  214.1678       13.05611  159.8160 4.084730  145.5605 4.484770  14.25554       6.066150  
1 1 1 42 16 9  o 70.14376 6.800564  53.60627       6.332687  68.78757       12.66537  38.42498       12.66537  81.37601 7.782008  58.91150 11.15487  22.46451       13.60113  
1 1 1 42 16 10 o 96.12303 4.937886  95.61929       6.694828  103.3624       13.38966  87.87617       13.38966  100.1507 6.684752  92.09531 7.269455  8.055428       9.875772  
1 1 1 42 16 11 o 65.30984 8.100964  48.00263       7.204682  38.32014       14.40936  57.68511       14.40936  57.38984 12.87274  73.22983 9.838453  -15.83998      16.20193  
1 1 1 42 16 12 o 41.26879 14.29461  20.00348       14.40936  20.00348       14.40936  ?              ?         41.26879 14.29461  ?        ?         ?              ?         
1 1 1 42 16 13 o 42.99961 14.19677  22.86248       14.18065  22.86248       14.18065  ?              ?         42.99961 14.19677  ?        ?         ?              ?         
1 1 1 42 17 0  o 197.8634 4.859083  394.0942       19.20296  394.0942       19.20296  394.0942       19.20296  197.8634 4.859083  197.8634 4.859083  0.000000       0.000000  
1 1 1 42 17 1  o 110.2024 3.124735  122.4320       4.869832  123.1181       9.739664  121.7458       9.739664  110.5137 4.406542  109.8911 4.431509  0.6226349      6.249471  
1 1 1 42 17 2  o 84.79576 4.117559  73.82418       4.846007  57.76134       9.692014  89.88700       9.692014  75.32428 6.433526  94.26723 5.140712  -18.94296      8.235119  
1 1 1 42 17 3  o 134.8593 2.832459  183.4288       5.393982  171.9403       10.78796  194.9172       10.78796  130.5999 4.130159  139.1187 3.877252  -8.518814      5.664918  
1 1 1 42 17 4  o 199.6369 2.280083  401.0130       6.427987  376.1969       12.85597  425.8291       12.85597  193.4216 3.323303  205.8522 3.122622  -12.43062      4.560166  
1 1 1 42 17 5  f 72.81172 4.822247  54.22095       4.965132  53.44426       9.930264  54.99765       9.930264  72.27837 6.869458  73.34508 6.769550  -1.066711      9.644494  
1 1 1 42 17 6  f 53.08033 6.979713  30.22917       5.089022  35.78516       10.17804  24.67318       10.17804  58.73957 8.663704  47.42109 10.94558  11.31848       13.95943  
1 1 1 42 17 7  o 54.15675 7.299928  31.52526       5.470222  28.37082       10.94044  34.67968       10.94044  50.77085 11.08082  57.54266 9.506378  -6.771801      14.59986  
1 1 1 42 17 8  o 145.5109 3.051884  214.1153       6.275507  223.6406       12.55101  204.5901       12.55101  148.7839 4.217867  142.2378 4.411982  6.546082       6.103768  
1 1 1 42 17 9  o 93.78100 4.854783  90.69705       6.437518  92.66022       12.87504  88.73387       12.87504  94.82768 6.788649  92.73431 6.941895  2.093369       9.709565  
1 1 1 42 17 10 o 70.56585 7.185120  55.50274       6.661473  73.02842       13.32295  37.97707       13.32295  83.42841 7.984658  57.70329 11.94776  25.72512       14.37024  
1 1 1 42 17 11 o 60.48784 8.805124  43.19474       7.452463  26.39811       14.90493  59.99138       14.90493  46.65819 14.47628  74.31750 10.02787  -27.65931      17.61025  
1 1 1 42 17 12 o 89.11352 5.866051  84.96951       7.390518  82.72997       14.78104  87.20907       14.78104  87.85695 8.411991  90.37009 8.178058  -2.513138      11.73210  
1 1 1 42 17 13 f 25.53220 11.90533  -7.747893      14.86681  -7.747893      14.86681  ?              ?         25.53220 11.90533  ?        ?         ?              ?         
1 1 1 42 18 0  f 118.0117 7.206439  142.4831       16.87764  142.4831       16.87764  142.4831       16.87764  118.0117 7.206439  118.0117 7.206439  0.000000       0.000000  
1 1 1 42 18 1  o 81.42391 4.069816  67.70591       4.645877  57.61840       9.291754  77.79343       9.291754  75.22947 6.175608  87.61835 5.302402  -12.38889      8.139631  
1 1 1 42 18 2  o 106.5466 3.730287  117.2333       5.455927  149.1636       10.91185  85.30306       10.91185  121.5308 4.489336  91.56247 5.958694  29.96835       7.460575  
1 1 1 42 18 3  o 99.45901 3.778585  100.6464       5.289153  89.41050       10.57831  111.8822       10.57831  93.81052 5.638123  105.1075 5.032135  -11.29698      7.557169  
1 1 1 42 18 4  o 50.28755 6.828176  28.64243       5.303447  2.887591       10.60689  54.39726       10.60689  27.75950 11.55198  72.81561 7.283394  -45.05611      13.65635  
1 1 1 42 18 5  o 68.16825 5.721378  48.31235       5.446397  56.83695       10.89279  39.78777       10.89279  74.42086 7.318375  61.91565 8.796480  12.50521       11.44276  
1 1 1 42 18 6  o 22.89486 7.423268  -9.163099      5.679882  -0.6003903     11.35976  -17.72581      11.35976  26.39622 11.49437  19.39349 9.396761  7.002735       14.84654  
1 1 1 42 18 7  o 79.35768 5.375182  64.97080       6.027727  67.86316       12.05545  62.07845       12.05545  81.18004 7.425135  77.53533 7.774169  3.644707       10.75036  
1 1 1 42 18 8  o 33.48167 8.731931  9.220280       5.813303  16.97294       11.62661  1.467621       11.62661  39.33019 12.85489  27.63314 11.82110  11.69705       17.46386  
1 1 1 42 18 9  o 109.6983 4.020216  123.1991       6.213562  135.2117       12.42712  111.1865       12.42712  115.1736 5.394956  104.2230 5.961796  10.95056       8.040433  
1 1 1 42 18 10 f 45.86076 8.623728  23.52481       6.599527  40.95043       13.19905  6.099203       13.19905  60.27241 11.36538  31.44912 12.97316  28.82328       17.24746  
1 1 1 42 18 11 o 90.33797 6.007316  87.01370       7.657358  80.66195       15.31472  93.36545       15.31472  86.82243 8.819563  93.85352 8.158840  -7.031090      12.01463  
1 1 1 42 18 12 o 45.80569 14.80204  26.54106       15.42908  26.54106       15.42908  ?              ?         45.80569 14.80204  ?        ?         ?              ?         
1 1 1 42 18 13 o 98.63968 6.294212  109.0661       8.715188  95.36675       17.43038  122.7655       17.43038  91.69553 9.504485  105.5838 8.254283  -13.88830      12.58842  
1 1 1 42 19 0  o 88.04496 7.722367  80.42371       13.39919  80.42371       13.39919  80.42371       13.39919  88.04496 7.722367  88.04496 7.722367  0.000000       0.000000  
1 1 1 42 19 1  o 66.23027 5.722576  45.58677       5.303447  52.95824       10.60689  38.21531       10.60689  71.79530 7.386901  60.66525 8.742151  11.13005       11.44515  
1 1 1 42 19 2  o 57.95015 6.654007  35.54692       5.322507  32.84040       10.64501  38.25343       10.64501  55.19943 10.01090  60.70087 8.768420  -5.501434      13.30801  
1 1 1 42 19 3  o 96.65024 3.911416  94.85688       5.341567  90.32537       10.68313  99.38841       10.68313  94.30595 5.664083  98.99453 5.395821  -4.688576      7.822833  
1 1 1 42 19 4  o 25.21926 7.759123  -1.200781      5.236737  2.220491       10.47347  -4.622052      10.47347  27.17284 11.40329  23.26568 10.52525  3.907166       15.51825  
1 1 1 42 19 5  o 39.94435 8.789574  17.36843       5.489282  16.94435       10.97856  17.79252       10.97856  39.53480 12.45591  40.35391 12.40471  -0.8191109     17.57915  
1 1 1 42 19 6  o 32.77057 7.808076  2.806586       5.813303  23.55817       11.62661  -17.94500      11.62661  45.89162 12.38110  19.64952 9.516959  26.24210       15.61615  
1 1 1 42 19 7  o 102.1249 4.547459  106.8552       6.566173  109.4807       13.13235  104.2296       13.13235  103.4104 6.349627  100.8395 6.511511  2.570900       9.094918  
1 1 1 42 19 8  o 75.53671 6.206814  59.99614       6.623353  56.95130       13.24671  63.04098       13.24671  73.52123 9.008762  77.55218 8.540512  -4.030945      12.41363  
1 1 1 42 19 9  f 57.85333 8.142612  37.59110       6.523287  44.56230       13.04657  30.61990       13.04657  64.33484 10.13959  51.37182 12.74352  12.96302       16.28522  
1 1 1 42 19 10 o 73.88557 6.310297  58.18068       6.575703  62.83132       13.15141  53.53003       13.15141  77.03277 8.536242  70.73839 9.295805  6.294380       12.62059  
1 1 1 42 19 11 o 86.73894 5.887883  80.22834       7.199918  87.10423       14.39984  73.35244       14.39984  90.70250 7.937949  82.77538 8.698139  7.927116       11.77577  
1 1 1 42 19 12 o 26.38435 12.35895  -9.749194      16.34396  -9.749194      16.34396  ?              ?         26.38435 12.35895  ?        ?         ?              ?         
1 1 1 42 20 0  o 24.71340 15.05641  6.937842       13.69462  6.937842       13.69462  6.937842       13.69462  24.71340 15.05641  24.71340 15.05641  0.000000       0.000000  
1 1 1 42 20 1  o 95.62381 4.234418  93.21296       5.708472  101.5517       11.41694  84.87421       11.41694  99.98399 5.709386  91.26363 6.254926  8.720367       8.468837  
1 1 1 42 20 2  o 35.05842 8.616344  11.86009       5.370157  16.53456       10.74031  7.185624       10.74031  39.15897 12.31655  30.95787 12.05273  8.201105       17.23269  
1 1 1 42 20 3  o 54.46983 6.960199  34.68445       5.522637  63.93680       11.04527  5.432102       11.04527  79.01563 6.989297  29.92403 12.03857  49.09159       13.92040  
1 1 1 42 20 4  o 93.65562 3.940631  89.83459       5.150967  106.2691       10.30193  73.40009       10.30193  102.4295 5.028791  84.88173 6.068405  17.54779       7.881262  
1 1 1 42 20 5  o 119.6401 3.522289  145.7948       5.908603  167.4517       11.81721  124.1378       11.81721  128.6909 4.591312  110.5892 5.342839  18.10175       7.044578  
1 1 1 42 20 6  o 85.79652 4.877995  75.87789       5.880013  85.60802       11.76003  66.14775       11.76003  91.46699 6.428563  80.12605 7.338453  11.34093       9.755989  
1 1 1 42 20 7  o 40.04649 6.743064  8.386404       6.042023  -23.26274      12.08405  40.03555       12.08405  18.71434 9.218148  61.37865 9.843851  -42.66431      13.48613  
1 1 1 42 20 8  o 40.26184 9.365983  16.96341       6.623353  26.56965       13.24671  7.357163       13.24671  47.93682 13.33721  32.58685 13.15315  15.34997       18.73197  
1 1 1 42 20 9  o 104.5436 4.864491  113.3928       7.190388  116.0659       14.38078  110.7196       14.38078  105.8221 6.794791  103.2651 6.963039  2.556984       9.728982  
1 1 1 42 20 10 o 85.86493 5.692046  78.27946       6.866368  68.49214       13.73274  88.06676       13.73274  80.16568 8.565222  91.56418 7.498968  -11.39850      11.38409  
1 1 1 42 20 11 o 31.89059 8.755169  2.859001       6.818718  -15.41955      13.63744  21.13755       13.63744  22.10543 10.62000  41.67575 13.92220  -19.57032      17.51034  
1 1 1 42 20 12 o 29.35846 12.60007  4.155082       13.28483  4.155082       13.28483  ?              ?         29.35846 12.60007  ?        ?         ?              ?         
1 1 1 42 21 0  o 32.09875 17.27345  16.22007       15.14318  16.22007       15.14318  16.22007       15.14318  32.09875 17.27345  32.09875 17.27345  0.000000       0.000000  
1 1 1 42 21 1  o 58.85654 6.464620  36.62381       5.231973  32.46873       10.46395  40.77888       10.46395  54.92609 9.885752  62.78698 8.332895  -7.860882      12.92924  
1 1 1 42 21 2  o 51.87848 7.457520  29.78126       5.389217  42.17980       10.77843  17.38272       10.77843  63.81167 8.445503  39.94529 12.29357  23.86638       14.91504  
1 1 1 42 21 3  o 78.24687 5.222010  63.68425       5.665587  49.65132       11.33117  77.71718       11.33117  69.27979 8.177836  87.21396 6.496194  -17.93417      10.44402  
1 1 1 42 21 4  o 52.16232 7.536867  29.60019       5.460692  36.04248       10.92138  23.15791       10.92138  58.71139 9.300908  45.61326 11.86215  13.09813       15.07373  
1 1 1 42 21 5  o 73.36816 5.981310  57.61840       5.889543  37.56728       11.77909  77.66953       11.77909  59.70343 9.864664  87.03289 6.767030  -27.32946      11.96262  
1 1 1 42 21 6  o 34.87358 9.077160  11.17393       6.046787  6.261212       12.09357  16.08665       12.09357  31.07621 12.55762  38.67094 13.11051  -7.594727      18.15432  
1 1 1 42 21 7  o 44.26150 9.409607  22.38598       6.389868  24.89237       12.77974  19.87959       12.77974  46.51976 13.15134  42.00324 13.46125  4.516514       18.81921  
1 1 1 42 21 8  o 39.66586 9.170733  17.30172       6.170677  24.01561       12.34135  10.58783       12.34135  45.39855 12.95255  33.93317 12.98618  11.46538       18.34147  
1 1 1 42 21 9  o 29.60742 8.744597  1.639161       6.551878  11.55990       13.10376  -8.281574      13.10376  34.93695 13.37810  24.27789 11.26492  10.65906       17.48919  
1 1 1 42 21 10 o 90.46325 5.955771  87.12806       7.619238  87.87617       15.23848  86.37996       15.23848  90.87673 8.384146  90.04977 8.461142  0.8269653      11.91154  
1 1 1 42 21 11 o 45.64877 13.89379  25.85490       13.81851  25.85490       13.81851  ?              ?         45.64877 13.89379  ?        ?         ?              ?         
1 1 1 42 21 12 o 75.89528 7.302684  67.71068       7.771719  59.03837       15.54344  76.38298       15.54344  70.18195 11.07367  81.60861 9.523160  -11.42667      14.60537  
1 1 1 42 22 0  o 150.7386 5.746088  230.1400       17.26837  230.1400       17.26837  230.1400       17.26837  150.7386 5.746088  150.7386 5.746088  0.000000       0.000000  
1 1 1 42 22 1  o 93.38430 4.254118  89.78693       5.522637  71.15101       11.04527  108.4228       11.04527  83.40622 6.621374  103.3624 5.342986  -19.95616      8.508236  
1 1 1 42 22 2  o 62.29404 7.063751  41.48887       6.037257  46.81138       12.07451  36.16636       12.07451  67.00717 9.009868  57.58090 10.88157  9.426273       14.12750  
1 1 1 42 22 3  o 80.36781 5.034976  66.72909       5.665587  77.27880       11.33117  56.17937       11.33117  86.93121 6.517323  73.80442 7.676488  13.12679       10.06995  
1 1 1 42 22 4  o 68.84100 6.123104  49.40354       5.956253  51.63356       11.91251  47.17352       11.91251  70.46069 8.453300  67.22131 8.860662  3.239380       12.24621  
1 1 1 42 22 5  o 78.49792 6.184127  66.74339       6.451812  41.76048       12.90362  91.72629       12.90362  62.58483 10.30891  94.41103 6.833749  -31.82619      12.36825  
1 1 1 42 22 6  o 43.21004 9.405789  20.58004       6.747242  30.57225       13.49448  10.58783       13.49448  51.50574 13.07266  34.91435 13.52705  16.59138       18.81158  
1 1 1 42 22 7  o 172.0021 3.025247  300.3142       7.333338  328.7756       14.66668  271.8529       14.66668  180.2756 4.067848  163.7285 4.478961  16.54710       6.050494  
1 1 1 42 22 8  o 52.30083 9.118123  31.97316       6.709123  33.58373       13.41825  30.36259       13.41825  53.75177 12.67326  50.84988 13.11294  2.901882       18.23625  
1 1 1 42 22 9  o 64.90689 8.335629  48.35524       7.390518  38.37733       14.78104  58.33315       14.78104  56.71938 13.25519  73.09440 10.11092  -16.37502      16.67126  
1 1 1 42 22 10 o 34.54115 13.81330  11.03574       14.41890  11.03574       14.41890  ?              ?         34.54115 13.81330  ?        ?         ?              ?         
1 1 1 42 22 11 o 91.14949 5.560137  88.83869       7.161798  92.59351       14.32360  85.08387       14.32360  93.20920 7.683574  89.08979 8.038854  4.119408       11.12027  
1 1 1 42 23 0  o 15.69367 11.28164  -19.24108      15.18130  -19.24108      15.18130  -19.24108      15.18130  15.69367 11.28164  15.69367 11.28164  0.000000       0.000000  
1 1 1 42 23 1  o 33.35422 9.013704  9.348933       5.932428  10.53065       11.86486  8.167212       11.86486  34.25594 12.83288  32.45250 12.66115  1.803440       18.02741  
1 1 1 42 23 2  o 22.43951 7.379557  -9.801610      5.751357  -15.35284      11.50271  -4.250381      11.50271  20.27283 9.742948  24.60620 11.08632  -4.333368      14.75911  
1 1 1 42 23 3  o 43.77600 7.666123  19.99871       5.665587  3.459391       11.33117  36.53804       11.33117  28.67394 11.93666  58.87806 9.622579  -30.20412      15.33225  
1 1 1 42 23 4  o 92.63335 5.013958  88.55280       6.566173  91.16402       13.13235  85.94157       13.13235  94.04279 6.982111  91.22392 7.197864  2.818878       10.02792  
1 1 1 42 23 5  o 25.54114 8.284718  -7.171328      6.818718  -5.718002      13.63744  -8.624654      13.63744  26.12082 11.88283  24.96145 11.54749  1.159369       16.56944  
1 1 1 42 23 6  o 31.33445 9.246124  4.588696       6.875898  7.547763       13.75180  1.629631       13.75180  33.03189 13.37317  29.63700 12.77191  3.394886       18.49225  
1 1 1 42 23 7  o 48.74393 9.755353  28.28982       7.061733  25.06391       14.12347  31.51572       14.12347  45.93112 14.05963  51.55674 13.52754  -5.625622      19.51071  
1 1 1 42 23 8  o 45.44777 10.19176  24.76371       7.390518  27.67513       14.78104  21.85230       14.78104  47.83166 14.33199  43.06387 14.49420  4.767792       20.38352  
1 1 1 42 23 9  o 51.35250 10.10977  32.52590       7.781249  40.06414       15.56250  24.98767       15.56250  57.55838 13.69821  45.14663 14.87241  12.41175       20.21953  
1 1 1 42 23 10 o 85.52405 6.918372  80.48088       8.353048  75.47763       16.70610  85.48414       16.70610  82.59899 10.11277  88.44910 9.443904  -5.850113      13.83674  
1 1 1 42 23 11 o 32.81132 13.84095  9.606244       15.56250  9.606244       15.56250  ?              ?         32.81132 13.84095  ?        ?         ?              ?         
1 1 1 42 24 0  o 23.51156 15.14622  2.878061       15.88652  2.878061       15.88652  2.878061       15.88652  23.51156 15.14622  23.51156 15.14622  0.000000       0.000000  
1 1 1 42 24 1  o 33.66106 9.062599  9.911204       5.984842  10.74031       11.96968  9.082094       11.96968  34.30048 12.88154  33.02165 12.75103  1.278828       18.12520  
1 1 1 42 24 2  o 88.14619 5.164725  80.32840       6.432753  76.63075       12.86551  84.02605       12.86551  86.04874 7.475708  90.24364 7.128206  -4.194901      10.32945  
1 1 1 42 24 3  o 108.5862 3.948328  121.3789       5.975312  144.6273       11.95062  98.13044       11.95062  119.2912 5.009013  97.88108 6.104666  21.41014       7.896655  
1 1 1 42 24 4  o 30.18686 8.576038  1.844056       6.304098  14.41890       12.60820  -10.73078      12.60820  37.35333 13.32814  23.02038 10.79604  14.33295       17.15208  
1 1 1 42 24 5  o 52.97329 7.880644  31.63961       6.871132  2.735111       13.74226  60.54411       13.74226  30.22095 12.88743  75.72564 9.073720  -45.50469      15.76129  
1 1 1 42 24 6  o 27.61621 8.515804  -4.526752      6.828248  8.939144       13.65650  -17.99265      13.65650  33.52706 13.42840  21.70536 10.47634  11.82170       17.03161  
1 1 1 42 24 7  o 28.78233 9.025885  -1.196015      7.328573  -1.867881      14.65715  -0.5241502     14.65715  28.47020 12.68026  29.09445 12.84825  -0.6242466     18.05177  
1 1 1 42 24 8  o 39.71676 10.39130  17.51138       7.738363  16.88717       15.47673  18.13560       15.47673  39.28373 14.66841  40.14978 14.72259  -0.8660469     20.78261  
1 1 1 42 24 9  o 88.94991 6.301634  85.77480       7.909904  91.79300       15.81981  79.75661       15.81981  92.33282 8.566730  85.56699 9.244105  6.765831       12.60327  
1 1 1 42 24 10 o 32.45568 13.76624  6.871132       15.53391  6.871132       15.53391  ?              ?         32.45568 13.76624  ?        ?         ?              ?         
1 1 1 42 25 0  o 16.03182 11.68201  -32.55449      19.17437  -32.55449      19.17437  -32.55449      19.17437  16.03182 11.68201  16.03182 11.68201  0.000000       0.000000  
1 1 1 42 25 1  o 41.73492 9.091150  19.43168       6.061082  13.74226       12.12216  25.12109       12.12216  36.60889 13.06810  46.86095 12.64202  -10.25206      18.18230  
1 1 1 42 25 2  f 65.28577 6.598356  45.24846       6.046787  51.26189       12.09357  39.23503       12.09357  69.89124 8.651711  60.68029 9.964994  9.210941       13.19671  
1 1 1 42 25 3  o 43.99206 8.831618  21.75224       6.065848  30.61990       12.13170  12.88457       12.13170  52.06043 11.90514  35.92369 13.04828  16.13675       17.66324  
1 1 1 42 25 4  o 67.15958 6.945716  48.28377       6.561408  42.87549       13.12282  53.69204       13.12282  63.13314 10.39297  71.18602 9.217271  -8.052883      13.89143  
1 1 1 42 25 5  o 43.74518 9.985388  22.43363       7.052203  24.37775       14.10441  20.48951       14.10441  45.35406 14.08428  42.13630 14.15856  3.217758       19.97078  
1 1 1 42 25 6  o 30.20374 9.031938  -0.7957549     7.299983  -14.52373      14.59997  12.93222       14.59997  23.73619 11.29301  36.67128 14.09863  -12.93509      18.06388  
1 1 1 42 25 7  o 44.18118 10.08428  22.98637       7.552527  32.42107       15.10505  13.55167       15.10505  51.46527 14.21433  36.89709 14.30817  14.56818       20.16856  
1 1 1 42 25 8  o 44.68298 14.21811  24.59694       14.27595  24.59694       14.27595  ?              ?         44.68298 14.21811  ?        ?         ?              ?         
1 1 1 42 25 9  o 38.81821 14.56128  17.12542       15.28613  17.12542       15.28613  ?              ?         38.81821 14.56128  ?        ?         ?              ?         
1 1 1 42 25 10 o 54.61975 14.47354  40.85513       16.06759  40.85513       16.06759  ?              ?         54.61975 14.47354  ?        ?         ?              ?         
1 1 1 42 26 0  f 145.3353 6.968505  216.0642       20.15596  216.0642       20.15596  216.0642       20.15596  145.3353 6.968505  145.3353 6.968505  0.000000       0.000000  
1 1 1 42 26 1  o 47.85622 9.007407  26.30757       6.256447  30.39118       12.51289  22.22397       12.51289  51.64812 12.27743  44.06432 13.18326  7.583809       18.01481  
1 1 1 42 26 2  o 50.54313 8.059992  29.00933       6.051552  43.70460       12.10310  14.31407       12.10310  64.14326 9.434431  36.94300 13.07078  27.20027       16.11998  
1 1 1 42 26 3  o 66.48856 6.978402  48.26471       6.313628  39.90213       12.62726  56.62728       12.62726  59.76835 10.97345  73.20878 8.624141  -13.44043      13.95680  
1 1 1 42 26 4  o 99.77220 4.951844  103.9056       6.928313  118.8296       13.85663  88.98164       13.85663  107.2512 6.459891  92.29317 7.506854  14.95806       9.903688  
1 1 1 42 26 5  o 65.06749 8.009998  48.11222       7.004553  33.79339       14.00911  62.43106       14.00911  53.61874 13.14680  76.51624 9.154336  -22.89749      16.02000  
1 1 1 42 26 6  o 53.84837 9.798278  35.28008       7.604944  42.16074       15.20989  28.39941       15.20989  59.62548 13.10983  48.07126 14.56563  11.55421       19.59656  
1 1 1 42 26 7  o 36.29041 14.56054  12.14122       16.09618  12.14122       16.09618  ?              ?         36.29041 14.56054  ?        ?         ?              ?         
1 1 1 42 26 8  o 30.96320 13.54300  2.811351       15.91511  2.811351       15.91511  ?              ?         30.96320 13.54300  ?        ?         ?              ?         
1 1 1 42 26 9  o 60.84908 14.23948  47.41177       17.03965  47.41177       17.03965  ?              ?         60.84908 14.23948  ?        ?         ?              ?         
1 1 1 42 27 0  o 53.10423 19.12063  40.75030       18.54539  40.75030       18.54539  40.75030       18.54539  53.10423 19.12063  53.10423 19.12063  0.000000       0.000000  
1 1 1 42 27 1  o 65.61240 7.434891  47.78820       6.594762  37.68163       13.18952  57.89477       13.18952  57.43743 11.88407  73.78738 8.937522  -16.34995      14.86978  
1 1 1 42 27 2  o 66.33923 7.694333  51.62402       6.551878  77.93637       13.10376  25.31169       13.10376  86.33672 7.588749  46.34173 13.38738  39.99499       15.38867  
1 1 1 42 27 3  o 78.11119 6.260674  64.86121       6.890193  70.94135       13.78039  58.78106       13.78039  82.00317 8.402349  74.21922 9.283571  7.783958       12.52135  
1 1 1 42 27 4  o 34.81368 9.641372  10.84991       6.928313  12.60820       13.85663  9.091624       13.85663  35.97948 13.76293  33.64788 13.50578  2.331593       19.28274  
1 1 1 42 27 5  o 89.77303 6.038457  86.14648       7.619238  75.82070       15.23848  96.47222       15.23848  84.02198 9.068148  95.52406 7.976250  -11.50208      12.07691  
1 1 1 42 27 6  o 48.27455 14.51495  28.85685       15.14318  28.85685       15.14318  ?              ?         48.27455 14.51495  ?        ?         ?              ?         
1 1 1 42 27 7  o 87.55846 6.390577  83.31129       7.895608  77.40269       15.79122  89.21989       15.79122  84.18436 9.378948  90.93255 8.682929  -6.748184      12.78115  
1 1 1 42 27 8  o 31.09620 13.67155  2.839941       16.39161  2.839941       16.39161  ?              ?         31.09620 13.67155  ?        ?         ?              ?         
1 1 1 42 27 9  o 34.78430 14.32816  15.84840       16.07712  15.84840       16.07712  ?              ?         34.78430 14.32816  ?        ?         ?              ?         
1 1 1 42 28 0  o 37.17166 19.93006  23.92031       20.09878  23.92031       20.09878  23.92031       20.09878  37.17166 19.93006  37.17166 19.93006  0.000000       0.000000  
1 1 1 42 28 1  o 87.93774 5.761481  81.46248       7.161798  78.73689       14.32360  84.18805       14.32360  86.38802 8.290269  89.48746 8.003131  -3.099442      11.52296  
1 1 1 42 28 2  o 21.45296 7.359678  -20.02254      6.980727  -17.81158      13.96145  -22.23350      13.96145  22.03221 10.62389  20.87372 10.18786  1.158487       14.71936  
1 1 1 42 28 3  o 24.82522 8.104821  -7.266628      6.680532  -4.841242      13.36106  -9.692014      13.36106  25.77597 11.73552  23.87447 11.18168  1.901499       16.20964  
1 1 1 42 28 4  o 43.33241 10.13268  22.23826       7.380988  28.17069       14.76198  16.30584       14.76198  47.99249 14.31113  38.67233 14.34838  9.320164       20.26535  
1 1 1 42 28 5  o 39.07207 14.61647  16.98247       15.38142  16.98247       15.38142  ?              ?         39.07207 14.61647  ?        ?         ?              ?         
1 1 1 42 28 6  o 79.83591 7.998113  73.67170       8.486469  54.19713       16.97294  93.14626       16.97294  67.15306 13.10499  92.51875 9.172701  -25.36569      15.99623  
1 1 1 42 28 7  o 27.48307 12.69476  -6.480402      16.40114  -6.480402      16.40114  ?              ?         27.48307 12.69476  ?        ?         ?              ?         
1 1 1 42 29 0  o 18.33994 13.14617  -21.91901      20.21314  -21.91901      20.21314  -21.91901      20.21314  18.33994 13.14617  18.33994 13.14617  0.000000       0.000000  
1 1 1 42 29 1  o 67.72337 8.069806  53.83023       7.147503  76.68794       14.29501  30.97251       14.29501  84.90423 8.418312  50.54250 13.77022  34.36173       16.13961  
1 1 1 42 29 2  o 62.85292 7.995312  44.80531       6.890193  37.69116       13.78039  51.91946       13.78039  56.68234 12.49208  69.02349 9.982388  -12.34115      15.99062  
1 1 1 42 29 3  o 107.8944 4.802676  122.2795       7.233273  100.5892       14.46655  143.9698       14.46655  97.84274 7.392754  117.9460 6.132699  -20.10327      9.605352  
1 1 1 42 29 4  o 24.73825 11.63705  -11.18822      14.96210  -11.18822      14.96210  ?              ?         24.73825 11.63705  ?        ?         ?              ?         
1 1 1 42 29 5  o 71.79134 8.078811  58.56664       8.200569  57.35156       16.40114  59.78172       16.40114  70.94508 11.55904  72.63760 11.28970  -1.692513      16.15762  
1 1 1 42 29 6  o 52.72914 14.68899  35.59456       16.05806  35.59456       16.05806  ?              ?         52.72914 14.68899  ?        ?         ?              ?         
1 1 1 42 29 7  o 27.98155 12.70631  -0.5336802     15.43861  -0.5336802     15.43861  ?              ?         27.98155 12.70631  ?        ?         ?              ?         
1 1 1 42 30 0  o 53.03658 19.40651  41.94155       18.92659  41.94155       18.92659  41.94155       18.92659  53.03658 19.40651  53.03658 19.40651  0.000000       0.000000  
1 1 1 42 30 1  o 59.94373 8.456421  42.11785       7.004553  52.39596       14.00911  31.83974       14.00911  68.90373 10.16571  50.98372 13.51675  17.92001       16.91284  
1 1 1 42 30 2  o 35.64556 13.86246  12.94175       14.19971  12.94175       14.19971  ?              ?         35.64556 13.86246  ?        ?         ?              ?         
1 1 1 42 30 3  o 43.73581 14.15427  23.71065       14.10441  23.71065       14.10441  ?              ?         43.73581 14.15427  ?        ?         ?              ?         
1 1 1 42 30 4  o 74.26768 7.802435  63.42695       7.714538  80.01391       15.42908  46.83997       15.42908  85.92049 8.978694  62.61488 12.76303  23.30561       15.60487  
1 1 1 42 30 5  o 26.85002 12.37399  -5.775182      15.46720  -5.775182      15.46720  ?              ?         26.85002 12.37399  ?        ?         ?              ?         
1 1 1 42 30 6  o 22.86854 11.02946  -14.94305      15.06694  -14.94305      15.06694  ?              ?         22.86854 11.02946  ?        ?         ?              ?         
1 1 1 42 31 1  o 34.12766 13.98528  9.720604       15.23848  9.720604       15.23848  ?              ?         34.12766 13.98528  ?        ?         ?              ?         
1 1 1 42 31 2  o 23.13681 11.13128  -16.94435      15.11459  -16.94435      15.11459  ?              ?         23.13681 11.13128  ?        ?         ?              ?         
1 1 1 42 31 3  o 21.63750 10.54840  -21.34721      14.80962  -21.34721      14.80962  ?              ?         21.63750 10.54840  ?        ?         ?              ?         
1 1 1 42 31 4  o 33.45231 14.13087  8.958203       16.25819  8.958203       16.25819  ?              ?         33.45231 14.13087  ?        ?         ?              ?         
1 1 1 42 32 1  o 38.84681 14.76609  18.30714       15.86746  18.30714       15.86746  ?              ?         38.84681 14.76609  ?        ?         ?              ?         
1 1 1 42 32 2  o 32.19788 13.94156  6.842543       16.53456  6.842543       16.53456  ?              ?         32.19788 13.94156  ?        ?         ?              ?         
1 1 1 43 0  1  o 86.76833 6.508975  77.05009       11.16916  77.05009       11.16916  77.05009       11.16916  86.76833 6.508975  86.76833 6.508975  0.000000       0.000000  
1 1 1 43 0  2  o 55.22424 10.31029  33.78386       10.26381  33.78386       10.26381  33.78386       10.26381  55.22424 10.31029  55.22424 10.31029  0.000000       0.000000  
1 1 1 43 0  3  o 95.81528 5.696267  93.28921       10.83561  93.28921       10.83561  93.28921       10.83561  95.81528 5.696267  95.81528 5.696267  0.000000       0.000000  
1 1 1 43 0  4  o 147.5759 5.652382  219.9620       16.62986  219.9620       16.62986  219.9620       16.62986  147.5759 5.652382  147.5759 5.652382  0.000000       0.000000  
1 1 1 43 0  5  o 37.97845 16.95171  21.70935       13.58025  21.70935       13.58025  21.70935       13.58025  37.97845 16.95171  37.97845 16.95171  0.000000       0.000000  
1 1 1 43 0  6  o 112.3829 7.570359  129.3507       16.85858  129.3507       16.85858  129.3507       16.85858  112.3829 7.570359  112.3829 7.570359  0.000000       0.000000  
1 1 1 43 0  7  f 43.40506 18.65421  28.28505       16.48691  28.28505       16.48691  28.28505       16.48691  43.40506 18.65421  43.40506 18.65421  0.000000       0.000000  
1 1 1 43 0  8  o 24.20034 15.63543  2.468271       17.11589  2.468271       17.11589  2.468271       17.11589  24.20034 15.63543  24.20034 15.63543  0.000000       0.000000  
1 1 1 43 0  9  o 65.64828 14.19743  50.29936       16.33442  50.29936       16.33442  50.29936       16.33442  65.64828 14.19743  65.64828 14.19743  0.000000       0.000000  
1 1 1 43 0  10 o 26.17050 17.68502  -5.927662      26.12174  -5.927662      26.12174  -5.927662      26.12174  26.17050 17.68502  26.17050 17.68502  0.000000       0.000000  
1 1 1 43 0  11 o 43.20146 19.17868  29.35241       17.38272  29.35241       17.38272  29.35241       17.38272  43.20146 19.17868  43.20146 19.17868  0.000000       0.000000  
1 1 1 43 0  12 o 32.89015 19.90971  15.94370       23.60582  15.94370       23.60582  15.94370       23.60582  32.89015 19.90971  32.89015 19.90971  0.000000       0.000000  
1 1 1 43 0  13 o 30.25791 19.06705  11.13105       23.79642  11.13105       23.79642  11.13105       23.79642  30.25791 19.06705  30.25791 19.06705  0.000000       0.000000  
1 1 1 43 1  0  o 150.8680 4.293617  228.8249       12.93222  228.8249       12.93222  228.8249       12.93222  150.8680 4.293617  150.8680 4.293617  0.000000       0.000000  
1 1 1 43 1  1  o 18.26793 5.943547  -5.975312      3.607106  -2.239551      7.214212  -9.711073      7.214212  20.21714 8.959851  16.31873 7.811790  3.898409       11.88709  
1 1 1 43 1  2  o 158.3990 2.208819  251.7874       4.946072  259.8260       9.892144  243.7489       9.892144  160.9364 3.073308  155.8616 3.173376  5.074875       4.417639  
1 1 1 43 1  3  o 72.36128 3.519949  53.12977       3.568987  44.91491       7.137973  61.34463       7.137973  66.68500 5.352008  78.03757 4.573421  -11.35257      7.039899  
1 1 1 43 1  4  o 101.0610 3.671563  103.1194       5.246267  100.5987       10.49253  105.6401       10.49253  99.81391 5.256048  102.3081 5.127909  -2.494217      7.343126  
1 1 1 43 1  5  o 41.48620 7.167370  17.63527       4.879362  4.021661       9.758724  31.24888       9.758724  27.86926 11.27273  55.10313 8.854963  -27.23387      14.33474  
1 1 1 43 1  6  o 59.39231 7.243140  38.12955       5.770417  50.20406       11.54083  26.05503       11.54083  69.96317 8.247794  48.82146 11.90908  21.14171       14.48628  
1 1 1 43 1  7  o 82.83479 5.597526  70.67450       6.518523  79.29916       13.03705  62.04985       13.03705  88.04073 7.403985  77.62886 8.397036  10.41187       11.19505  
1 1 1 43 1  8  o 187.0426 2.770112  352.6625       7.323808  339.9257       14.64762  365.3994       14.64762  183.6378 3.988181  190.4474 3.845580  -6.809616      5.540224  
1 1 1 43 1  9  o 71.31396 6.768279  53.21554       6.809187  49.08905       13.61837  57.34204       13.61837  68.42077 9.951931  74.20715 9.175919  -5.786377      13.53656  
1 1 1 43 1  10 o 56.91484 8.620793  36.11871       6.914018  24.42540       13.82804  47.81203       13.82804  46.53846 13.84563  67.29123 10.27477  -20.75277      17.24159  
1 1 1 43 1  11 o 87.57417 6.874821  81.55779       8.472174  90.38256       16.94435  72.73299       16.94435  92.61263 9.147968  82.53571 10.26486  10.07692       13.74964  
1 1 1 43 1  12 o 105.9383 5.107413  117.3906       7.552527  138.3280       15.10505  96.45316       15.10505  115.8202 6.520908  96.05640 7.862597  19.76379       10.21483  
1 1 1 43 1  13 o 53.69495 15.48949  36.10918       17.55427  36.10918       17.55427  ?              ?         53.69495 15.48949  ?        ?         ?              ?         
1 1 1 43 1  14 o 87.66598 7.277813  85.77956       8.920084  72.35179       17.84017  99.20734       17.84017  80.00749 11.14906  95.32446 9.357601  -15.31697      14.55563  
1 1 1 43 2  0  o 29.53398 15.05166  13.35154       11.06433  13.35154       11.06433  13.35154       11.06433  29.53398 15.05166  29.53398 15.05166  0.000000       0.000000  
1 1 1 43 2  1  o 77.51308 3.879345  63.65566       3.935891  90.82094       7.871783  36.49038       7.871783  95.03610 4.141469  59.99005 6.560908  35.04605       7.758691  
1 1 1 43 2  2  o 190.3395 1.983076  363.3123       5.336802  354.2398       10.67360  372.3849       10.67360  187.9562 2.839386  192.7228 2.769161  -4.766525      3.966152  
1 1 1 43 2  3  o 26.32568 6.994617  5.170027       3.611871  7.766953       7.223743  2.573101       7.223743  28.85381 10.10895  23.79755 9.669947  5.056263       13.98923  
1 1 1 43 2  4  o 163.5056 2.448503  269.0940       5.641763  243.1581       11.28353  295.0299       11.28353  155.5744 3.626408  171.4368 3.290870  -15.86240      4.897005  
1 1 1 43 2  5  o 86.96246 4.485857  77.71719       5.408277  95.10944       10.81655  60.32492       10.81655  96.96233 5.577710  76.96260 7.027150  19.99973       8.971715  
1 1 1 43 2  6  o 59.60715 6.977998  38.30585       5.546463  50.48996       11.09293  26.12174       11.09293  70.23521 7.896982  48.97910 11.50685  21.25612       13.95600  
1 1 1 43 2  7  o 79.65610 5.320198  65.88569       5.856187  81.62448       11.71237  50.14688       11.71237  89.53531 6.540646  69.77688 8.392734  19.75843       10.64040  
1 1 1 43 2  8  f 101.0256 4.532148  104.2106       6.470873  108.4991       12.94175  99.92209       12.94175  103.1481 6.273383  98.90308 6.542640  4.244972       9.064297  
1 1 1 43 2  9  o 144.8742 3.406313  213.5436       6.914018  180.4220       13.82804  246.6651       13.82804  133.4430 5.181251  156.3053 4.423406  -22.86227      6.812626  
1 1 1 43 2  10 o 48.41250 9.957011  26.21227       7.638299  37.25278       15.27660  15.17176       15.27660  57.29300 13.53153  39.53200 14.61048  17.76100       19.91402  
1 1 1 43 2  11 o 39.42580 10.43822  15.31472       7.900373  18.04030       15.80075  12.58914       15.80075  41.27122 14.90101  37.58039 14.62142  3.690834       20.87645  
1 1 1 43 2  12 o 37.90700 10.47687  9.072564       9.039208  -7.109383      18.07842  25.25451       18.07842  29.53655 13.51436  46.27745 16.01316  -16.74089      20.95374  
1 1 1 43 2  13 o 36.16405 14.59472  11.28353       16.30584  11.28353       16.30584  ?              ?         36.16405 14.59472  ?        ?         ?              ?         
1 1 1 43 2  14 o 23.02604 11.16165  -20.78494      16.05806  -20.78494      16.05806  ?              ?         23.02604 11.16165  ?        ?         ?              ?         
1 1 1 43 3  0  o 87.10860 6.589772  77.69812       11.35023  77.69812       11.35023  77.69812       11.35023  87.10860 6.589772  87.10860 6.589772  0.000000       0.000000  
1 1 1 43 3  1  o 184.3526 2.077465  340.9597       5.413042  327.4700       10.82608  354.4494       10.82608  180.6939 2.995697  188.0113 2.879105  -7.317352      4.154930  
1 1 1 43 3  2  o 62.05967 4.099163  38.95866       3.597576  38.66323       7.195153  39.25409       7.195153  61.82165 5.819283  62.29770 5.774815  -0.4760437     8.198325  
1 1 1 43 3  3  o 95.81868 2.771558  92.32191       3.754822  94.59482       7.509643  90.04901       7.509643  97.00472 3.870762  94.63264 3.967788  2.372086       5.543116  
1 1 1 43 3  4  o 87.90480 3.898690  78.11268       4.846007  79.62318       9.692014  76.60217       9.692014  88.76398 5.459430  87.04563 5.567203  1.718346       7.797379  
1 1 1 43 3  5  o 25.69611 7.685639  -0.4907953     5.041372  -6.699593      10.08274  5.718002       10.08274  21.91352 10.05408  29.47869 11.62719  -7.565166      15.37128  
1 1 1 43 3  6  o 70.13495 5.669761  50.59479       5.584582  43.89520       11.16916  57.29438       11.16916  65.35873 8.544508  74.91116 7.454940  -9.552429      11.33952  
1 1 1 43 3  7  o 94.74462 4.688499  91.79300       6.246917  102.7716       12.49383  80.81443       12.49383  100.5384 6.213465  88.95085 7.022887  11.58754       9.376998  
1 1 1 43 3  8  o 71.35606 6.689986  55.65999       6.151618  76.62123       12.30324  34.69875       12.30324  86.44382 7.116319  56.26829 11.33056  30.17553       13.37997  
1 1 1 43 3  9  o 34.13501 9.049383  7.080792       6.585233  -4.946072      13.17047  19.10766       13.17047  26.27026 11.84798  41.99976 13.68177  -15.72950      18.09877  
1 1 1 43 3  10 o 79.25151 6.856425  66.66238       7.533468  81.10034       15.06694  52.22442       15.06694  88.36046 8.525837  70.14257 10.74022  18.21789       13.71285  
1 1 1 43 3  11 o 108.3652 5.653761  122.3271       8.662774  125.0146       17.32555  119.6397       17.32555  109.6052 7.903615  107.1252 8.086588  2.480003       11.30752  
1 1 1 43 3  12 o 49.82599 9.920990  28.63766       8.262513  10.05415       16.52503  47.22117       16.52503  36.01900 14.62911  63.63297 13.40497  -27.61397      19.84198  
1 1 1 43 3  13 o 72.09587 9.245994  60.73949       9.139274  51.09988       18.27855  70.37907       18.27855  64.82500 14.46903  79.36674 11.51524  -14.54174      18.49199  
1 1 1 43 3  14 o 73.40246 9.717024  68.13476       9.677718  35.48021       19.35544  100.7893       19.35544  51.42789 16.57482  95.37703 10.14680  -43.94914      19.43405  
1 1 1 43 4  0  o 83.96756 6.547642  72.27555       10.86420  72.27555       10.86420  72.27555       10.86420  83.96756 6.547642  83.96756 6.547642  0.000000       0.000000  
1 1 1 43 4  1  o 170.6348 2.099876  292.2900       5.060432  309.7918       10.12086  274.7881       10.12086  175.7632 2.879119  165.5063 3.057546  10.25690       4.199751  
1 1 1 43 4  2  o 78.34253 3.599279  63.12674       3.869182  45.74401       7.738363  80.50948       7.738363  67.24847 5.753560  89.43658 4.326173  -22.18810      7.198557  
1 1 1 43 4  3  o 135.2415 2.306820  183.8385       4.402863  170.2154       8.805723  197.4617       8.805723  130.2049 3.381487  140.2781 3.138666  -10.07320      4.613640  
1 1 1 43 4  4  f 127.7063 2.789578  164.2306       5.027077  176.6863       10.05415  151.7748       10.05415  132.5830 3.791646  122.8296 4.092726  9.753410       5.579156  
1 1 1 43 4  5  o 126.8638 3.218943  162.2054       5.775182  162.4198       11.55036  161.9910       11.55036  126.9483 4.549240  126.7793 4.555305  0.1690216      6.437886  
1 1 1 43 4  6  o 86.83350 4.763655  77.78390       5.718002  59.21944       11.43600  96.34834       11.43600  76.14382 7.509477  97.52319 5.863224  -21.37936      9.527310  
1 1 1 43 4  7  o 107.4015 3.790450  116.8426       5.756122  114.1885       11.51224  119.4967       11.51224  106.1659 5.421817  108.6371 5.298485  -2.471199      7.580900  
1 1 1 43 4  8  o 44.46372 9.161610  21.25667       6.637648  32.85945       13.27530  9.653894       13.27530  54.29596 12.47908  34.63148 13.41689  19.66448       18.32322  
1 1 1 43 4  9  o 99.61922 4.743234  101.4802       6.680532  98.76897       13.36106  104.1915       13.36106  98.25838 6.798944  100.9800 6.615696  -2.721657      9.486468  
1 1 1 43 4  10 o 85.96880 6.272441  77.04055       7.624003  75.12502       15.24801  78.95608       15.24801  84.85472 8.984772  87.08289 8.754881  -2.228165      12.54488  
1 1 1 43 4  11 o 110.7551 5.841630  128.6455       9.086859  112.0061       18.17372  145.2849       18.17372  103.2433 8.801404  118.2669 7.683352  -15.02358      11.68326  
1 1 1 43 4  12 o 41.31228 9.954789  15.98658       8.095737  33.54561       16.19147  -1.572451      16.19147  52.63992 14.77787  29.98465 13.34189  22.65527       19.90958  
1 1 1 43 4  13 o 60.19684 10.53049  45.18175       9.120214  57.20861       18.24043  33.15488       18.24043  69.35152 13.63657  51.04215 16.05019  18.30938       21.06098  
1 1 1 43 5  0  o 17.16661 11.54160  -3.221142      10.87373  -3.221142      10.87373  -3.221142      10.87373  17.16661 11.54160  17.16661 11.54160  0.000000       0.000000  
1 1 1 43 5  1  o 35.90871 6.147098  12.18888       3.902537  25.56900       7.805074  -1.191251      7.805074  50.04298 7.798371  21.77444 9.504351  28.26854       12.29420  
1 1 1 43 5  2  f 64.12838 4.564931  42.73254       3.983541  29.58113       7.967083  55.88395       7.967083  53.87442 7.394125  74.38235 5.355493  -20.50793      9.129862  
1 1 1 43 5  3  o 70.58371 3.913252  51.54303       3.764351  67.15794       7.528703  35.92811       7.528703  81.64498 4.610634  59.52243 6.324256  22.12255       7.826504  
1 1 1 43 5  4  o 51.03425 6.392912  28.39465       4.340917  16.41067       8.681833  40.37863       8.681833  39.06446 10.77063  63.00404 6.889903  -23.93958      12.78582  
1 1 1 43 5  5  o 249.9007 2.472753  627.3983       8.739014  628.6752       17.47803  626.1213       17.47803  250.1562 3.493423  249.6452 3.500574  0.5110321      4.945505  
1 1 1 43 5  6  o 54.45147 7.234588  32.40201       5.341567  45.15316       10.68313  19.65087       10.68313  66.37515 8.047541  42.52779 12.02473  23.84736       14.46918  
1 1 1 43 5  7  o 92.10809 4.744453  87.75704       6.046787  108.1941       12.09357  67.31995       12.09357  103.2022 5.859168  81.01400 7.463881  22.18817       9.488907  
1 1 1 43 5  8  o 88.93735 4.824905  81.09080       6.046787  73.34290       12.09357  88.83869       12.09357  84.58154 7.149064  93.29317 6.481491  -8.711632      9.649810  
1 1 1 43 5  9  o 55.78923 8.268126  34.07453       6.437518  40.80748       12.87504  27.34158       12.87504  62.22786 10.34507  49.35061 12.90066  12.87724       16.53625  
1 1 1 43 5  10 o 133.0455 4.760489  182.0660       8.901024  204.9618       17.80205  159.1701       17.80205  141.6500 6.283815  124.4410 7.152808  17.20901       9.520977  
1 1 1 43 5  11 o 85.55481 5.702134  76.42111       6.885427  71.08430       13.77085  81.75790       13.77085  82.43587 8.352466  88.67375 7.764900  -6.237877      11.40427  
1 1 1 43 5  12 o 27.93748 9.183414  -10.23999      8.796195  -8.243454      17.59239  -12.23652      17.59239  28.59489 13.18520  27.28008 12.78636  1.314816       18.36683  
1 1 1 43 5  13 o 35.35997 15.13124  7.023612       19.06001  7.023612       19.06001  ?              ?         35.35997 15.13124  ?        ?         ?              ?         
1 1 1 43 5  14 o 98.68961 6.615590  106.4644       9.196454  116.5138       18.39291  96.41505       18.39291  103.7810 8.861403  93.59821 9.825459  10.18281       13.23118  
1 1 1 43 6  0  f 143.2012 4.793375  206.5724       13.69462  206.5724       13.69462  206.5724       13.69462  143.2012 4.793375  143.2012 4.793375  0.000000       0.000000  
1 1 1 43 6  1  o 69.80505 4.002207  49.43213       3.931127  55.07390       7.862253  43.79037       7.862253  73.84615 5.323401  65.76397 5.977630  8.082176       8.004415  
1 1 1 43 6  2  o 53.39344 5.785007  30.60084       4.045487  19.51745       8.090974  41.68424       8.090974  42.67108 9.698116  64.11581 6.309656  -21.44473      11.57001  
1 1 1 43 6  3  o 124.7657 2.444298  156.3349       4.312327  153.5379       8.624654  159.1320       8.624654  123.6448 3.487674  125.8866 3.425565  -2.241837      4.888596  
1 1 1 43 6  4  o 116.0272 2.852105  135.5357       4.674467  128.0166       9.348933  143.0549       9.348933  112.7869 4.144512  119.2674 3.919316  -6.480522      5.704210  
1 1 1 43 6  5  o 29.35204 8.446144  3.893007       5.584582  7.290452       11.16916  0.4955602      11.16916  31.64180 12.29675  27.06228 11.58185  4.579525       16.89229  
1 1 1 43 6  6  o 36.24869 8.295360  12.58914       5.251032  20.72776       10.50206  4.450512       10.50206  43.59384 11.76979  28.90354 11.69290  14.69029       16.59072  
1 1 1 43 6  7  o 78.51230 5.394703  63.36499       5.989607  64.07975       11.97921  62.65025       11.97921  78.96748 7.584904  78.05711 7.673365  0.9103699      10.78941  
1 1 1 43 6  8  o 50.92287 8.154680  28.81397       5.803772  36.32838       11.60754  21.29956       11.60754  58.00183 10.38151  43.84391 12.57853  14.15792       16.30936  
1 1 1 43 6  9  o 42.52238 9.394135  19.25060       6.628118  10.45441       13.25624  28.04680       13.25624  35.14714 13.45654  49.89763 13.11184  -14.75048      18.78827  
1 1 1 43 6  10 o 50.01742 9.289404  28.43276       6.742478  22.65282       13.48496  34.21271       13.48496  44.85213 13.73994  55.18271 12.50544  -10.33058      18.57881  
1 1 1 43 6  11 o 74.54461 8.855470  64.41806       8.643713  91.25932       17.28743  37.57681       17.28743  92.91173 9.303145  56.17749 15.07080  36.73423       17.71094  
1 1 1 43 6  12 o 167.5068 3.773564  286.9294       8.939144  285.6619       17.87829  288.1969       17.87829  167.1285 5.348666  167.8852 5.324559  -0.7566833     7.547129  
1 1 1 43 6  13 o 45.51707 15.61688  25.43558       17.16354  25.43558       17.16354  ?              ?         45.51707 15.61688  ?        ?         ?              ?         
1 1 1 43 6  14 o 27.04576 12.69496  -11.01669      17.57333  -11.01669      17.57333  ?              ?         27.04576 12.69496  ?        ?         ?              ?         
1 1 1 43 7  0  o 15.89802 10.97901  -6.547113      11.03574  -6.547113      11.03574  -6.547113      11.03574  15.89802 10.97901  15.89802 10.97901  0.000000       0.000000  
1 1 1 43 7  1  o 187.9880 2.281507  354.8592       6.061082  370.4408       12.12216  339.2777       12.12216  192.1323 3.154640  183.8437 3.296867  8.288589       4.563014  
1 1 1 43 7  2  o 68.59924 4.028343  47.60236       3.907302  46.53501       7.814603  48.66973       7.814603  67.82127 5.761174  69.37721 5.631967  -1.555939      8.056685  
1 1 1 43 7  3  o 97.37240 2.894183  95.78607       3.959717  83.33036       7.919433  108.2418       7.919433  90.97649 4.352462  103.7683 3.815921  -12.79182      5.788365  
1 1 1 43 7  4  o 88.40562 3.515434  78.90368       4.393332  81.50060       8.786663  76.30675       8.786663  89.87438 4.888302  86.93687 5.053473  2.937508       7.030867  
1 1 1 43 7  5  o 39.63871 7.953474  16.65368       4.893657  9.920734       9.787313  23.38663       9.787313  32.78580 11.73843  46.49162 10.73499  -13.70582      15.90695  
1 1 1 43 7  6  o 91.48460 4.452960  85.05529       5.760887  86.03687       11.52177  84.07369       11.52177  92.02108 6.260400  90.94813 6.334256  1.072952       8.905919  
1 1 1 43 7  7  o 57.21791 8.330674  36.09489       6.518523  38.64417       13.03705  33.54561       13.03705  59.45830 11.36925  54.97753 12.17952  4.480774       16.66135  
1 1 1 43 7  8  o 31.16379 8.914978  2.477801       6.632883  -8.357814      13.26577  13.31342       13.26577  24.96155 11.48599  37.36602 13.63742  -12.40447      17.82996  
1 1 1 43 7  9  o 147.3161 3.830139  220.6100       7.962319  204.1231       15.92464  237.0970       15.92464  141.7203 5.618332  152.9118 5.207130  -11.19151      7.660278  
1 1 1 43 7  10 o 20.62377 7.041602  -19.30779      6.313628  -25.62618      12.62726  -12.98940      12.62726  18.87146 9.297701  22.37607 10.57778  -3.504612      14.08320  
1 1 1 43 7  11 o 37.25489 9.610331  12.68920       6.956903  21.37580       13.91381  4.002602       13.91381  43.38966 14.05990  31.12012 13.10546  12.26954       19.22066  
1 1 1 43 7  12 o 37.00262 15.05312  11.04527       17.52568  11.04527       17.52568  ?              ?         37.00262 15.05312  ?        ?         ?              ?         
1 1 1 43 7  13 o 55.96306 15.09680  39.11113       17.28743  39.11113       17.28743  ?              ?         55.96306 15.09680  ?        ?         ?              ?         
1 1 1 43 8  0  o 21.25950 13.45744  2.801821       11.98874  2.801821       11.98874  2.801821       11.98874  21.25950 13.45744  21.25950 13.45744  0.000000       0.000000  
1 1 1 43 8  1  o 68.66045 4.085493  47.71673       3.964482  45.76308       7.928963  49.67038       7.928963  67.23775 5.896213  70.08313 5.656827  -2.845375      8.170986  
1 1 1 43 8  2  o 84.92979 3.576653  73.65263       4.217027  57.63746       8.434053  89.66782       8.434053  75.50131 5.585369  94.35827 4.469165  -18.85696      7.153306  
1 1 1 43 8  3  o 106.4162 3.231804  115.5513       4.769767  141.3490       9.539534  89.75357       9.539534  118.5373 4.023852  94.29505 5.058343  24.24229       6.463607  
1 1 1 43 8  4  o 166.8856 2.092053  279.4673       4.936542  273.1490       9.873084  285.7857       9.873084  164.9926 2.991978  168.7786 2.924862  -3.786057      4.184107  
1 1 1 43 8  5  o 121.3365 3.385959  150.7504       5.675117  187.5695       11.35023  113.9312       11.35023  136.5088 4.157327  106.1641 5.345607  30.34467       6.771919  
1 1 1 43 8  6  o 73.25711 5.502861  55.33121       5.656057  63.12675       11.31211  47.53566       11.31211  78.57778 7.198036  67.93643 8.325514  10.64135       11.00572  
1 1 1 43 8  7  o 139.0041 3.276641  195.5652       6.427987  181.2321       12.85597  209.8983       12.85597  133.8484 4.802437  144.1597 4.458934  -10.31131      6.553281  
1 1 1 43 8  8  o 43.23245 9.585588  19.60798       6.985494  9.158334       13.97099  30.05763       13.97099  34.81635 13.70120  51.64856 13.40937  -16.83220      19.17118  
1 1 1 43 8  9  f 84.11827 5.344009  73.46203       6.270743  59.94373       12.54149  86.98035       12.54149  76.08297 8.241980  92.15357 6.804667  -16.07060      10.68802  
1 1 1 43 8  10 o 42.55487 9.125770  17.72104       7.085558  0.2477801      14.17112  35.19431       14.17112  29.50434 12.84282  55.60539 12.96844  -26.10105      18.25154  
1 1 1 43 8  11 o 59.67020 8.524943  41.32686       7.161798  20.38468       14.32360  62.26904       14.32360  42.61013 14.26815  76.73026 9.333734  -34.12013      17.04989  
1 1 1 43 8  12 o 86.72040 8.277042  84.95046       9.553828  62.73601       19.10766  107.1649       19.10766  73.41133 13.52094  100.0295 9.551014  -26.61814      16.55408  
1 1 1 43 8  13 o 50.02121 14.86948  31.15358       15.95323  31.15358       15.95323  ?              ?         50.02121 14.86948  ?        ?         ?              ?         
1 1 1 43 9  0  o 134.0966 5.004176  181.3655       13.38013  181.3655       13.38013  181.3655       13.38013  134.0966 5.004176  134.0966 5.004176  0.000000       0.000000  
1 1 1 43 9  1  o 57.80000 5.322457  34.47955       4.269442  41.96061       8.538883  26.99850       8.538883  64.27149 6.642824  51.32850 8.317879  12.94300       10.64491  
1 1 1 43 9  2  o 93.98552 3.468487  89.61539       4.569637  103.1623       9.139274  76.06850       9.139274  101.1924 4.515789  86.77861 5.265856  14.41383       6.936973  
1 1 1 43 9  3  o 80.99588 3.707461  66.72432       4.202732  55.79818       8.405463  77.65047       8.405463  74.25100 5.660169  87.74075 4.789942  -13.48975      7.414921  
1 1 1 43 9  4  o 32.57481 7.249690  9.768255       4.174142  1.753521       8.348284  17.78299       8.348284  24.55588 10.23553  40.59375 10.26966  -16.03786      14.49938  
1 1 1 43 9  5  o 87.38310 4.466796  77.56947       5.517872  80.01391       11.03574  75.12502       11.03574  88.78179 6.215095  85.98441 6.417295  2.797386       8.933593  
1 1 1 43 9  6  o 174.4418 2.585510  306.2657       6.375573  295.8018       12.75115  316.7297       12.75115  171.4425 3.718781  177.4411 3.593065  -5.998535      5.171021  
1 1 1 43 9  7  o 141.8740 3.359199  204.9666       6.666237  239.4032       13.33247  170.5299       13.33247  154.0104 4.328434  129.7377 5.138243  24.27271       6.718398  
1 1 1 43 9  8  o 141.6160 3.529561  203.0605       7.066498  209.0216       14.13300  197.0995       14.13300  143.7207 4.916828  139.5114 5.065176  4.209290       7.059122  
1 1 1 43 9  9  o 60.06151 7.742571  38.97771       6.418458  35.41349       12.83692  42.54193       12.83692  56.59081 11.73565  63.53222 10.10268  -6.941410      15.48514  
1 1 1 43 9  10 o 52.47222 9.848083  32.00175       7.452463  29.27617       14.90493  34.72733       14.90493  50.14246 14.21157  54.80199 13.63709  -4.659534      19.69617  
1 1 1 43 9  11 o 30.37965 9.417477  0.5241501E-01  7.743128  1.038770       15.48626  -0.9339404     15.48626  30.83129 13.42307  29.92801 13.21275  0.9032860      18.83495  
1 1 1 43 9  12 o 135.3939 4.065089  189.0658       7.719304  161.8004       15.43861  216.3311       15.43861  125.3250 6.159427  145.4628 5.306720  -20.13778      8.130178  
1 1 1 43 9  13 o 143.8556 5.049160  218.1656       10.18281  186.5975       20.36562  249.7338       20.36562  132.8835 7.662961  154.8278 6.576862  -21.94431      10.09832  
1 1 1 43 9  14 o 40.30430 15.64503  19.24108       18.06889  19.24108       18.06889  ?              ?         40.30430 15.64503  ?        ?         ?              ?         
1 1 1 43 10 0  o 36.56633 16.68060  20.27032       13.16094  20.27032       13.16094  20.27032       13.16094  36.56633 16.68060  36.56633 16.68060  0.000000       0.000000  
1 1 1 43 10 1  o 34.16873 8.055963  11.66949       4.598227  9.587184       9.196454  13.75180       9.196454  32.08816 11.38957  36.24931 11.39613  -4.161148      16.11193  
1 1 1 43 10 2  o 113.0716 2.866884  128.6503       4.583931  130.6659       9.167863  126.6347       9.167863  113.9629 4.022302  112.1803 4.086217  1.782578       5.733767  
1 1 1 43 10 3  o 68.73283 4.535188  48.37430       4.350447  57.23720       8.700893  39.51140       8.700893  75.18018 5.786694  62.28547 6.984691  12.89472       9.070376  
1 1 1 43 10 4  o 52.63204 5.671081  28.87115       4.093137  24.94955       8.186274  32.79274       8.186274  48.55587 8.749097  56.70821 7.217890  -8.152344      11.34216  
1 1 1 43 10 5  o 46.67698 7.146722  23.49146       5.317742  3.897772       10.63548  43.08515       10.63548  28.61343 11.69760  64.74054 8.213929  -36.12711      14.29344  
1 1 1 43 10 6  o 87.85178 4.525488  80.30935       5.441632  57.56122       10.88326  103.0575       10.88326  74.90489 7.264722  100.7987 5.398517  -25.89376      9.050977  
1 1 1 43 10 7  o 66.25834 6.902405  47.52136       6.051552  33.20253       12.10310  61.84020       12.10310  55.02301 11.38380  77.49368 7.809093  -22.47067      13.80481  
1 1 1 43 10 8  o 153.3753 3.311423  237.8784       7.180858  243.9586       14.36172  231.7983       14.36172  155.3574 4.622153  151.3932 4.743185  3.964218       6.622847  
1 1 1 43 10 9  o 32.81439 9.395789  4.355212       7.195153  14.19971       14.39031  -5.489282      14.39031  38.39341 14.18219  27.23537 12.32837  11.15804       18.79158  
1 1 1 43 10 10 o 97.85606 5.285418  99.50278       7.280923  110.1001       14.56185  88.90541       14.56185  103.2708 7.050319  92.44128 7.876267  10.82955       10.57084  
1 1 1 43 10 11 o 24.62926 8.232217  -14.39984      7.614474  -19.72711      15.22895  -9.072563      15.22895  22.97650 11.08326  26.28203 12.17534  -3.305527      16.46443  
1 1 1 43 10 12 o 36.64529 9.604159  4.431451       8.376874  -21.29003      16.75375  30.15293       16.75375  23.88831 11.54459  49.40226 15.35194  -25.51395      19.20832  
1 1 1 43 10 13 f 52.45950 16.31522  36.48085       18.91706  36.48085       18.91706  ?              ?         52.45950 16.31522  ?        ?         ?              ?         
1 1 1 43 11 0  o 51.28991 13.57129  31.89692       11.99827  31.89692       11.99827  31.89692       11.99827  51.28991 13.57129  51.28991 13.57129  0.000000       0.000000  
1 1 1 43 11 1  o 106.1192 3.040003  113.4356       4.560107  117.4573       9.120214  109.4140       9.120214  108.0140 4.221773  104.2243 4.375283  3.789757       6.080005  
1 1 1 43 11 2  o 121.1237 2.793176  147.5864       4.784062  150.0404       9.568124  145.1324       9.568124  122.1367 3.916974  120.1107 3.983045  2.026009       5.586352  
1 1 1 43 11 3  o 113.8039 2.666917  130.4705       4.278972  118.7152       8.557944  142.2258       8.557944  108.6392 3.938701  118.9686 3.596724  -10.32941      5.333835  
1 1 1 43 11 4  o 115.2390 2.872616  134.0586       4.660172  148.7348       9.320344  119.3824       9.320344  121.6067 3.832167  108.8713 4.280443  12.73545       5.745232  
1 1 1 43 11 5  o 111.5673 3.237477  125.6436       5.108082  125.9104       10.21616  125.3767       10.21616  111.6869 4.573574  111.4477 4.583389  0.2391739      6.474955  
1 1 1 43 11 6  f 102.9133 4.044893  107.6795       5.884778  111.0341       11.76956  104.3250       11.76956  104.5431 5.629046  101.2835 5.810205  3.259605       8.089787  
1 1 1 43 11 7  o 61.26111 7.018672  39.99743       5.894307  34.48908       11.78861  45.50577       11.78861  56.32748 10.85159  66.19474 8.904495  -9.867264      14.03734  
1 1 1 43 11 8  o 50.06423 8.336402  27.58460       6.442283  43.86661       12.88457  11.30258       12.88457  64.59412 9.973481  35.53434 13.36084  29.05978       16.67280  
1 1 1 43 11 9  o 61.67526 8.338715  42.11309       7.004553  44.29546       14.00911  39.93072       14.00911  63.46061 11.45694  59.88992 12.11921  3.570686       16.67743  
1 1 1 43 11 10 o 53.91389 8.603732  33.01193       7.419108  8.596063       14.83822  57.42780       14.83822  34.48465 13.92017  73.34315 10.11561  -38.85850      17.20746  
1 1 1 43 11 11 o 89.08789 6.625993  86.21317       8.081444  62.90756       16.16289  109.5188       16.16289  76.00777 10.63239  102.1680 7.909954  -26.16026      13.25199  
1 1 1 43 11 12 o 78.11068 8.020260  68.92576       8.515059  81.02409       17.03012  56.82742       17.03012  86.34782 9.861347  69.87354 12.65117  16.47429       16.04052  
1 1 1 43 11 13 o 48.55442 15.28918  30.42930       16.54409  30.42930       16.54409  ?              ?         48.55442 15.28918  ?        ?         ?              ?         
1 1 1 43 12 0  o 23.92196 14.62432  6.061082       13.01799  6.061082       13.01799  6.061082       13.01799  23.92196 14.62432  23.92196 14.62432  0.000000       0.000000  
1 1 1 43 12 1  o 36.26960 6.876359  12.18888       4.464807  26.15986       8.929614  -1.782111      8.929614  49.59235 9.345340  22.94684 10.08969  26.64551       13.75272  
1 1 1 43 12 2  f 94.89935 3.434667  91.12590       4.588697  81.21470       9.177394  101.0371       9.177394  89.67740 5.116894  100.1213 4.583138  -10.44391      6.869334  
1 1 1 43 12 3  o 71.37906 4.571228  51.85275       4.602992  47.70720       9.205984  55.99829       9.205984  68.47516 6.722134  74.28296 6.196565  -5.807800      9.142456  
1 1 1 43 12 4  o 38.16921 7.127774  14.99069       4.479102  3.507041       8.958203  26.47435       8.958203  26.52780 10.77212  49.81062 9.337136  -23.28282      14.25555  
1 1 1 43 12 5  o 92.18950 3.852520  86.42760       5.003252  95.08086       10.00650  77.77436       10.00650  96.88268 5.164238  87.49632 5.718243  9.386368       7.705041  
1 1 1 43 12 6  o 31.10637 8.513597  6.880663       5.465457  11.15010       10.93091  2.611221       10.93091  34.31279 12.39331  27.89995 11.67609  6.412838       17.02719  
1 1 1 43 12 7  o 56.91478 7.995921  35.41826       6.285037  43.97144       12.57007  26.86508       12.57007  64.82600 9.695242  49.00356 12.71775  15.82244       15.99184  
1 1 1 43 12 8  o 86.94331 5.667877  78.16032       6.966432  75.78259       13.93286  80.53806       13.93286  85.57590 8.140648  88.31071 7.888548  -2.734818      11.33575  
1 1 1 43 12 9  o 54.12126 9.562284  33.81721       7.476287  43.72366       14.95257  23.91078       14.95257  62.44979 12.41259  45.79272 14.54911  16.65707       19.12457  
1 1 1 43 12 10 o 40.17151 9.688746  15.77692       7.261863  3.602341       14.52373  27.95150       14.52373  31.39745 13.31392  48.94557 14.07930  -17.54812      19.37749  
1 1 1 43 12 11 o 102.0635 6.147921  110.9769       8.781898  128.3310       17.56380  93.62276       17.56380  110.5651 7.942738  93.56186 9.386195  17.00327       12.29584  
1 1 1 43 12 12 o 37.66112 14.71165  14.16159       16.02947  14.16159       16.02947  ?              ?         37.66112 14.71165  ?        ?         ?              ?         
1 1 1 43 12 13 o 83.23225 8.069187  79.04185       9.367994  92.31715       18.73599  65.76655       18.73599  91.20711 10.27112  75.25740 12.44794  15.94971       16.13837  
1 1 1 43 13 0  o 31.18494 16.49270  15.01929       13.61837  15.01929       13.61837  15.01929       13.61837  31.18494 16.49270  31.18494 16.49270  0.000000       0.000000  
1 1 1 43 13 1  o 38.05718 6.390371  13.31342       4.450512  -3.573751      8.901024  30.20058       8.901024  21.84936 9.802232  54.26500 8.201441  -32.41564      12.78074  
1 1 1 43 13 2  f 57.97743 5.982696  35.39920       4.683997  27.58936       9.367994  43.20904       9.367994  50.87424 9.558796  65.08062 7.197222  -14.20638      11.96539  
1 1 1 43 13 3  o 72.19130 4.770633  53.45856       4.817417  44.55276       9.634833  62.36435       9.634833  66.02311 7.296562  78.35949 6.147841  -12.33638      9.541266  
1 1 1 43 13 4  o 141.8619 2.673111  202.8747       5.351098  218.2847       10.70220  187.4647       10.70220  147.2933 3.632954  136.4306 3.922212  10.86269       5.346223  
1 1 1 43 13 5  o 26.05968 7.392756  3.311677       4.269442  7.109383       8.538883  -0.4860302     8.538883  29.04067 10.88515  23.07870 10.00625  5.961966       14.78551  
1 1 1 43 13 6  o 30.01716 8.177424  5.941957       5.131907  0.3240202      10.26381  11.55990       10.26381  25.73845 11.06176  34.29588 12.04652  -8.557425      16.35485  
1 1 1 43 13 7  o 52.43513 7.460431  30.87245       5.503577  14.44749       11.00715  47.29741       11.00715  37.22231 12.50775  67.64795 8.135616  -30.42564      14.92086  
1 1 1 43 13 8  o 151.7684 3.013989  232.8656       6.456578  249.3621       12.91316  216.3692       12.91316  157.2031 4.107156  146.3336 4.412231  10.86948       6.027978  
1 1 1 43 13 9  o 49.10474 9.326715  27.61319       7.028378  15.57203       14.05676  39.65435       14.05676  38.89597 14.05353  59.31350 12.26576  -20.41753      18.65343  
1 1 1 43 13 10 o 101.0717 5.827370  109.6189       7.948023  145.6375       15.89605  73.60022       15.89605  118.8901 6.685187  83.25334 9.546792  35.63673       11.65474  
1 1 1 43 13 11 o 140.0170 4.482119  205.4526       8.634183  152.4133       17.26837  258.4918       17.26837  121.0767 7.131166  158.9573 5.431763  -37.88056      8.964238  
1 1 1 43 13 12 o 84.61485 7.025147  78.46528       8.310163  91.01154       16.62033  65.91904       16.62033  92.02859 9.029980  77.20111 10.76431  14.82748       14.05029  
1 1 1 43 14 0  o 173.6808 4.707332  303.6450       16.32490  303.6450       16.32490  303.6450       16.32490  173.6808 4.707332  173.6808 4.707332  0.000000       0.000000  
1 1 1 43 14 1  o 100.0454 3.492989  101.1515       4.936542  95.68124       9.873084  106.6217       9.873084  97.31154 5.072926  102.7793 4.803052  -5.467743      6.985977  
1 1 1 43 14 2  o 135.0016 2.765229  183.6432       5.270092  196.1465       10.54018  171.1398       10.54018  139.6324 3.774263  130.3707 4.042389  9.261642       5.530458  
1 1 1 43 14 3  o 65.32648 6.061906  46.88285       4.993722  26.33140       9.987444  67.43431       9.987444  49.23545 10.45788  81.41752 6.133474  -32.18207      12.12381  
1 1 1 43 14 4  o 52.71580 6.541028  31.93981       4.574402  11.93157       9.148804  51.94805       9.148804  34.08631 11.40312  71.34529 6.411638  -37.25898      13.08206  
1 1 1 43 14 5  o 41.56695 7.770846  18.69787       5.008017  28.57095       10.01603  8.824783       10.01603  51.40121 10.10299  31.73269 11.80990  19.66852       15.54169  
1 1 1 43 14 6  o 26.97559 7.715875  -0.2048953     5.189087  10.73078       10.37817  -11.14057      10.37817  33.62698 12.08279  20.32421 9.599229  13.30277       15.43175  
1 1 1 43 14 7  o 79.74835 5.877516  66.10963       6.589998  74.05766       13.18000  58.16161       13.18000  84.73154 7.777503  74.76517 8.814262  9.966377       11.75503  
1 1 1 43 14 8  o 32.12873 9.015630  7.433403       6.099203  6.833013       12.19841  8.033793       12.19841  31.71616 12.69621  32.54130 12.80362  -0.8251381     18.03126  
1 1 1 43 14 9  o 61.74785 8.109126  43.08038       6.780598  28.28505       13.56120  57.87571       13.56120  49.43895 13.38657  74.05674 9.155950  -24.61779      16.21825  
1 1 1 43 14 10 o 64.73648 8.724378  47.75484       7.762188  57.78994       15.52438  37.71975       15.52438  72.98473 10.63536  56.48824 13.83287  16.49649       17.44876  
1 1 1 43 14 11 o 90.91769 6.275687  88.31455       8.029028  97.83501       16.05806  78.79407       16.05806  96.15345 8.350224  85.68192 9.370738  10.47153       12.55137  
1 1 1 43 14 12 o 23.91974 11.63022  -23.67253      17.66863  -23.67253      17.66863  ?              ?         23.91974 11.63022  ?        ?         ?              ?         
1 1 1 43 15 0  o 43.42958 16.67167  26.71260       13.62791  26.71260       13.62791  26.71260       13.62791  43.42958 16.67167  43.42958 16.67167  0.000000       0.000000  
1 1 1 43 15 1  o 36.97424 7.610666  12.83692       5.022312  -0.7624003E-01 10.04462  25.75007       10.04462  25.29383 10.90804  48.65466 10.61620  -23.36083      15.22133  
1 1 1 43 15 2  o 59.68110 5.478828  36.72863       4.602992  32.78321       9.205984  40.67405       9.205984  56.37568 8.164854  62.98652 7.307900  -6.610840      10.95766  
1 1 1 43 15 3  o 70.66870 4.933872  51.20948       4.922247  54.63551       9.844495  47.78344       9.844495  73.09271 6.734251  68.24469 7.212645  4.848022       9.867744  
1 1 1 43 15 4  o 21.97018 7.082043  -5.489282      4.888892  -7.404812      9.777783  -3.573751      9.777783  21.04387 9.751464  22.89650 10.27279  -1.852633      14.16409  
1 1 1 43 15 5  o 58.96498 6.674662  36.27596       5.565523  35.78516       11.13105  36.76675       11.13105  58.54881 9.505783  59.38115 9.372541  -0.8323441     13.34932  
1 1 1 43 15 6  o 30.92142 8.419690  4.488632       5.784712  14.94305       11.56942  -5.965783      11.56942  37.87450 12.82325  23.96833 10.91463  13.90618       16.83938  
1 1 1 43 15 7  o 123.7784 3.669614  155.7727       6.399398  171.1493       12.79880  140.3960       12.79880  129.9898 4.923002  117.5670 5.443191  12.42274       7.339228  
1 1 1 43 15 8  o 78.05778 6.181538  64.77544       6.632883  81.51012       13.26577  48.04075       13.26577  88.77720 7.471381  67.33836 9.850081  21.43884       12.36308  
1 1 1 43 15 9  f 117.2093 3.904019  140.1435       6.470873  141.8827       12.94175  138.4043       12.94175  117.9512 5.486058  116.4674 5.555954  1.483864       7.808038  
1 1 1 43 15 10 o 130.7777 3.669639  174.7088       6.785362  178.9258       13.57072  170.4918       13.57072  132.3900 5.125284  129.1654 5.253234  3.224564       7.339278  
1 1 1 43 15 11 o 34.94546 9.810878  10.74508       7.290452  7.709774       14.58090  13.78039       14.58090  33.04568 13.63417  36.84523 14.11108  -3.799557      19.62176  
1 1 1 43 15 12 o 73.82842 8.984238  66.17635       8.753308  91.70722       17.50662  40.64547       17.50662  91.47424 9.569151  56.18261 15.20847  35.29164       17.96848  
1 1 1 43 15 13 o 30.02024 13.39265  1.810701       16.41067  1.810701       16.41067  ?              ?         30.02024 13.39265  ?        ?         ?              ?         
1 1 1 43 16 0  o 21.53049 14.10918  0.1620101      14.58090  0.1620101      14.58090  0.1620101      14.58090  21.53049 14.10918  21.53049 14.10918  0.000000       0.000000  
1 1 1 43 16 1  o 94.59636 3.548043  90.61128       4.745942  92.26950       9.491883  88.95306       9.491883  95.47283 4.970987  93.71989 5.063964  1.752937       7.096087  
1 1 1 43 16 2  o 62.57648 6.534044  44.49083       5.069962  20.72776       10.13992  68.25389       10.13992  43.32307 11.50599  81.82989 6.195734  -38.50682      13.06809  
1 1 1 43 16 3  o 31.75990 7.593108  5.522636       5.089022  20.05113       10.17804  -9.005854      10.17804  42.63722 11.62061  20.88257 9.776628  21.75465       15.18622  
1 1 1 43 16 4  o 178.6571 2.533313  321.2136       6.399398  313.9279       12.79880  328.4992       12.79880  176.6180 3.623298  180.6961 3.541525  -4.078033      5.066625  
1 1 1 43 16 5  o 59.71028 6.884939  38.76329       5.470222  26.51247       10.94044  51.01411       10.94044  49.04599 11.36617  70.37457 7.773010  -21.32858      13.76988  
1 1 1 43 16 6  o 71.61141 5.237653  52.75810       5.303447  51.65262       10.60689  53.86358       10.60689  70.83955 7.486562  72.38327 7.326896  -1.543716      10.47531  
1 1 1 43 16 7  o 36.04955 8.618902  12.34612       5.636997  3.897772       11.27399  20.79447       11.27399  28.95769 11.97125  43.14141 12.40286  -14.18373      17.23780  
1 1 1 43 16 8  o 38.60346 9.176264  15.54820       6.175443  8.653244       12.35089  22.44316       12.35089  32.85345 12.89703  44.35347 13.05687  -11.50002      18.35253  
1 1 1 43 16 9  o 66.01510 7.945591  48.83650       7.042673  34.86075       14.08535  62.81225       14.08535  54.96543 13.00057  77.06477 9.138642  -22.09934      15.89118  
1 1 1 43 16 10 o 57.40656 8.887617  38.17720       7.033143  42.72301       14.06629  33.63138       14.06629  61.30759 11.89645  53.50554 13.20733  7.802052       17.77523  
1 1 1 43 16 11 o 52.09769 8.845745  31.98269       6.990257  46.51595       13.98051  17.44944       13.98051  64.89071 10.77236  39.30467 14.03372  25.58604       17.69149  
1 1 1 43 16 12 o 79.99146 6.755363  70.06935       7.638299  67.76785       15.27660  72.37085       15.27660  78.55287 9.723766  81.43005 9.380196  -2.877182      13.51073  
1 1 1 43 16 13 o 43.43581 14.21585  26.88414       14.21877  26.88414       14.21877  ?              ?         43.43581 14.21585  ?        ?         ?              ?         
1 1 1 43 17 0  o 129.9440 6.626082  171.9975       17.12542  171.9975       17.12542  171.9975       17.12542  129.9440 6.626082  129.9440 6.626082  0.000000       0.000000  
1 1 1 43 17 1  f 139.1993 2.979866  195.5843       5.860952  204.9523       11.72190  186.2163       11.72190  142.5643 4.111094  135.8344 4.314778  6.729919       5.959732  
1 1 1 43 17 2  o 59.20032 5.985463  36.29025       5.008017  34.86075       10.01603  37.71975       10.01603  57.99297 8.635558  60.40766 8.290368  -2.414684      11.97093  
1 1 1 43 17 3  o 126.8276 3.114460  163.4682       5.527402  136.4792       11.05480  190.4571       11.05480  116.1876 4.757309  137.4676 4.020875  -21.28006      6.228919  
1 1 1 43 17 4  o 84.42039 4.716377  73.50492       5.546463  59.21944       11.09293  87.79040       11.09293  75.95947 7.301870  92.88131 5.971560  -16.92184      9.432754  
1 1 1 43 17 5  o 29.55664 7.711887  1.691576       5.289153  16.87764       10.57831  -13.49448      10.57831  39.38228 12.19081  19.73100 9.448646  19.65128       15.42377  
1 1 1 43 17 6  o 36.39274 7.323950  5.336802       5.903837  31.93504       11.80767  -21.26144      11.80767  53.80720 11.32838  18.97828 9.285941  34.82892       14.64790  
1 1 1 43 17 7  o 91.62046 4.970860  87.11376       6.361277  102.3808       12.72255  71.84670       12.72255  99.95215 6.364323  83.28877 7.637618  16.66338       9.941721  
1 1 1 43 17 8  o 34.92947 9.173561  11.31211       6.146852  7.223743       12.29370  15.40049       12.29370  31.81536 12.74163  38.04358 13.20105  -6.228210      18.34712  
1 1 1 43 17 9  o 102.1667 5.126438  108.7516       7.395282  115.5227       14.79056  101.9806       14.79056  105.4805 7.011044  98.85301 7.481090  6.627472       10.25288  
1 1 1 43 17 10 o 53.13118 9.196228  33.10723       7.776483  13.71367       15.55297  52.50079       15.55297  37.40896 14.51627  68.85341 11.29426  -31.44445      18.39246  
1 1 1 43 17 11 o 91.67342 5.836586  91.15925       7.309513  65.68079       14.61903  116.6377       14.61903  77.77709 9.398027  105.5697 6.923872  -27.79264      11.67317  
1 1 1 43 17 12 o 33.36171 13.53645  9.644363       14.13300  9.644363       14.13300  ?              ?         33.36171 13.53645  ?        ?         ?              ?         
1 1 1 43 18 0  o 166.1268 5.289446  278.6859       17.53521  278.6859       17.53521  278.6859       17.53521  166.1268 5.289446  166.1268 5.289446  0.000000       0.000000  
1 1 1 43 18 1  o 179.9630 2.586077  326.1644       6.575703  310.1635       13.15141  342.1653       13.15141  175.5174 3.746467  184.4086 3.565833  -8.891190      5.172154  
1 1 1 43 18 2  o 69.14738 6.048935  50.50902       5.713237  65.03275       11.42647  35.98529       11.42647  79.64939 7.172983  58.64537 9.742010  21.00402       12.09787  
1 1 1 43 18 3  o 112.0216 3.381023  126.9206       5.355862  125.0718       10.71172  128.7694       10.71172  111.1964 4.816580  112.8468 4.746137  -1.650398      6.762046  
1 1 1 43 18 4  o 35.72240 8.509982  11.24064       5.703707  0.6385102      11.40741  21.84277       11.40741  27.15010 11.66486  44.29470 12.39396  -17.14460      17.01996  
1 1 1 43 18 5  o 80.19182 5.561058  67.40572       6.146852  84.20712       12.29370  50.60432       12.29370  90.66757 6.779549  69.71606 8.816982  20.95151       11.12212  
1 1 1 43 18 6  o 71.95703 6.043169  53.97318       6.146852  52.15771       12.29370  55.78864       12.29370  70.69554 8.694823  73.21853 8.395214  -2.522987      12.08634  
1 1 1 43 18 7  o 30.05951 7.989923  -4.078841      6.208797  -28.18975      12.41759  20.03207       12.41759  18.00213 8.943518  42.11689 13.24269  -24.11477      15.97985  
1 1 1 43 18 8  o 100.4438 4.893814  106.4978       6.690063  138.6902       13.38013  74.30544       13.38013  116.4689 5.744077  84.41879 7.924850  32.05009       9.787628  
1 1 1 43 18 9  o 56.44054 8.371397  36.77629       6.647178  22.87201       13.29436  50.68056       13.29436  44.16393 13.66563  68.71716 9.673243  -24.55324      16.74279  
1 1 1 43 18 10 o 39.27399 8.579912  9.053504       7.404812  -19.76523      14.80962  37.87223       14.80962  22.28954 10.78609  56.25844 13.34616  -33.96889      17.15982  
1 1 1 43 18 11 o 34.75128 14.24664  10.34958       15.81981  10.34958       15.81981  ?              ?         34.75128 14.24664  ?        ?         ?              ?         
1 1 1 43 18 12 o 37.33711 14.90220  15.59109       16.74422  15.59109       16.74422  ?              ?         37.33711 14.90220  ?        ?         ?              ?         
1 1 1 43 19 0  o 80.13099 10.09631  66.55755       16.34396  66.55755       16.34396  66.55755       16.34396  80.13099 10.09631  80.13099 10.09631  0.000000       0.000000  
1 1 1 43 19 1  o 73.00734 5.046439  54.96905       5.160498  46.43970       10.32100  63.49841       10.32100  67.16590 7.683210  78.84878 6.544803  -11.68288      10.09288  
1 1 1 43 19 2  o 55.15519 7.408597  33.01193       5.565523  34.01258       11.13105  32.01128       11.13105  56.06577 10.31282  54.24461 10.63931  1.821159       14.81719  
1 1 1 43 19 3  o 38.26444 8.928722  15.38619       5.684648  18.78364       11.36929  11.98874       11.36929  41.32587 12.60737  35.20301 12.64684  6.122856       17.85744  
1 1 1 43 19 4  o 107.9270 3.922850  119.1203       5.927662  100.0650       11.85532  138.1755       11.85532  99.09915 5.981547  116.7548 5.077017  -17.65568      7.845700  
1 1 1 43 19 5  o 29.09248 8.702736  2.339616       6.194502  0.3240202      12.38900  4.355212       12.38900  27.91055 12.07631  30.27441 12.53447  -2.363859      17.40547  
1 1 1 43 19 6  o 55.32072 8.363073  34.50814       6.361277  28.79014       12.72255  40.22615       12.72255  50.22293 12.66112  60.41850 10.92978  -10.19557      16.72615  
1 1 1 43 19 7  o 76.50134 6.915991  64.91361       6.794893  89.55345       13.58979  40.27380       13.58979  93.01216 7.305382  59.99051 11.74543  33.02166       13.83198  
1 1 1 43 19 8  o 60.94551 8.101883  42.33704       6.718653  55.54086       13.43731  29.13322       13.43731  72.13474 9.314033  49.75628 13.25937  22.37846       16.20377  
1 1 1 43 19 9  o 30.00331 8.751539  -1.448560      6.961668  15.53391       13.92334  -18.43103      13.92334  38.16897 13.96733  21.83766 10.54852  16.33131       17.50308  
1 1 1 43 19 10 o 86.34705 6.177200  79.89478       7.523938  73.74317       15.04788  86.04641       15.04788  82.78490 9.088538  89.90920 8.368374  -7.124298      12.35440  
1 1 1 43 19 11 o 55.51547 8.726517  37.50056       7.781249  64.52765       15.56250  10.47347       15.56250  76.31170 10.19667  34.71924 14.16462  41.59246       17.45303  
1 1 1 43 20 0  o 106.1932 7.261677  115.8563       15.27660  115.8563       15.27660  115.8563       15.27660  106.1932 7.261677  106.1932 7.261677  0.000000       0.000000  
1 1 1 43 20 1  o 51.81666 7.747857  29.46200       5.498813  30.71520       10.99763  28.20881       10.99763  53.02593 10.74497  50.60739 11.16525  2.418545       15.49571  
1 1 1 43 20 2  o 119.2913 3.666403  144.3176       6.184973  142.5117       12.36995  146.1236       12.36995  118.5344 5.217873  120.0483 5.152071  -1.513878      7.332805  
1 1 1 43 20 3  o 140.6049 3.127244  199.7584       6.218328  200.6828       12.43666  198.8340       12.43666  140.9336 4.412239  140.2762 4.432919  0.6574554      6.254488  
1 1 1 43 20 4  o 69.81656 6.240347  50.87592       6.161148  51.42390       12.32230  50.32795       12.32230  70.20901 8.775438  69.42412 8.874650  0.7848892      12.48069  
1 1 1 43 20 5  o 64.57014 6.967858  44.27639       6.346982  47.66908       12.69396  40.88372       12.69396  67.19727 9.445299  61.94301 10.24649  5.254257       13.93572  
1 1 1 43 20 6  o 81.76396 5.542469  70.24089       6.299332  84.55973       12.59866  55.92206       12.59866  90.52016 6.959038  73.00777 8.628304  17.51240       11.08494  
1 1 1 43 20 7  o 70.93295 6.324802  53.16790       6.342218  54.78799       12.68444  51.54779       12.68444  72.07495 8.799476  69.79096 9.087448  2.283989       12.64960  
1 1 1 43 20 8  o 44.93337 9.971037  23.81548       7.052203  24.75895       14.10441  22.87201       14.10441  45.72713 14.06096  44.13961 14.14128  1.587528       19.94207  
1 1 1 43 20 9  o 51.98919 9.705539  32.88805       7.566823  44.42888       15.13365  21.34721       15.13365  61.52938 12.72915  42.44900 14.65464  19.08038       19.41108  
1 1 1 43 20 10 o 71.89565 7.234256  57.28009       7.352398  55.55039       14.70480  59.00979       14.70480  70.69272 10.40050  73.09856 10.05820  -2.405846      14.46851  
1 1 1 43 20 11 o 97.04128 5.906481  101.7471       8.067148  112.3873       16.13430  91.10683       16.13430  102.5236 7.868576  91.55894 8.810880  10.96467       11.81296  
1 1 1 43 21 0  o 40.38258 18.17449  25.27357       15.61015  25.27357       15.61015  25.27357       15.61015  40.38258 18.17449  40.38258 18.17449  0.000000       0.000000  
1 1 1 43 21 1  o 73.25325 5.892921  55.78864       6.080142  50.21359       12.16028  61.36370       12.16028  69.44793 8.754967  77.05858 7.890286  -7.610649      11.78584  
1 1 1 43 21 2  o 143.5709 3.210958  208.6690       6.508993  222.2016       13.01799  195.1364       13.01799  148.2837 4.389554  138.8580 4.687518  9.425735       6.421916  
1 1 1 43 21 3  o 72.59315 5.951696  54.95954       6.089673  49.97534       12.17935  59.94373       12.17935  69.16019 8.805171  76.02611 8.009975  -6.865913      11.90339  
1 1 1 43 21 4  o 84.39117 5.138687  73.94807       6.080142  63.14580       12.16028  84.75032       12.16028  77.99107 7.795948  90.79128 6.696835  -12.80022      10.27737  
1 1 1 43 21 5  o 26.83270 8.184483  -3.607106      6.165912  8.233924       12.33182  -15.44814      12.33182  32.53181 12.85011  21.13360 10.13991  11.39821       16.36897  
1 1 1 43 21 6  o 31.09293 8.439712  3.812001       6.018198  17.05871       12.03640  -9.434704      12.03640  39.36118 13.07945  22.82469 10.66972  16.53648       16.87942  
1 1 1 43 21 7  o 117.0779 3.886476  140.5151       6.423223  130.9518       12.84645  150.0785       12.84645  112.9937 5.684585  121.1621 5.301348  -8.168381      7.772953  
1 1 1 43 21 8  o 71.48833 6.342588  54.77369       6.356512  62.57400       12.71302  46.97339       12.71302  76.94398 8.261221  66.03268 9.626313  10.91130       12.68518  
1 1 1 43 21 9  o 71.13849 7.042075  55.35503       7.042673  48.98422       14.08535  61.72583       14.08535  66.66074 10.56495  75.61623 9.313705  -8.955498      14.08415  
1 1 1 43 21 10 o 65.34244 8.117249  49.48931       7.209448  38.91100       14.41890  60.06762       14.41890  56.75190 12.97962  73.93298 9.751329  -17.18107      16.23450  
1 1 1 43 21 11 f 29.09088 12.85963  2.763701       14.73339  2.763701       14.73339  ?              ?         29.09088 12.85963  ?        ?         ?              ?         
1 1 1 43 22 0  o 26.61467 16.42109  7.928963       16.71563  7.928963       16.71563  7.928963       16.71563  26.61467 16.42109  26.61467 16.42109  0.000000       0.000000  
1 1 1 43 22 1  o 45.36697 8.334008  22.69094       6.027727  8.167212       12.05545  37.21466       12.05545  32.45464 12.74141  58.27931 10.74612  -25.82468      16.66802  
1 1 1 43 22 2  o 84.65517 5.113267  73.99094       6.118262  71.24631       12.23652  76.73560       12.23652  83.03410 7.368373  86.27625 7.091480  -3.242149      10.22653  
1 1 1 43 22 3  o 79.52383 5.442806  65.69984       6.113498  62.04033       12.22700  69.35937       12.22700  77.22294 7.916687  81.82473 7.471455  -4.601791      10.88561  
1 1 1 43 22 4  o 86.98862 5.325472  79.52311       6.404162  60.91579       12.80832  98.13044       12.80832  76.29336 8.394129  97.68389 6.556007  -21.39053      10.65094  
1 1 1 43 22 5  o 57.82262 7.972878  36.94306       6.380337  41.85578       12.76067  32.03034       12.76067  62.56050 10.19867  53.08473 12.25783  9.475773       15.94576  
1 1 1 43 22 6  o 43.07478 8.648569  19.68422       6.566173  37.01453       13.13235  2.353911       13.13235  56.92313 11.91916  29.22643 12.53494  27.69670       17.29714  
1 1 1 43 22 7  o 57.83959 8.460718  38.79188       6.856837  53.91124       13.71367  23.67253       13.71367  70.86391 9.676064  44.81528 13.88196  26.04863       16.92144  
1 1 1 43 22 8  o 66.23192 7.884129  49.58938       7.118913  41.02666       14.23783  58.15208       14.23783  59.26004 12.41235  73.20380 9.724786  -13.94375      15.76826  
1 1 1 43 22 9  o 46.68829 13.85376  27.02709       13.85663  27.02709       13.85663  ?              ?         46.68829 13.85376  ?        ?         ?              ?         
1 1 1 43 22 10 o 54.03178 13.45008  36.10918       14.49514  36.10918       14.49514  ?              ?         54.03178 13.45008  ?        ?         ?              ?         
1 1 1 43 23 0  o 22.78371 14.98516  0.4574402      16.62986  0.4574402      16.62986  0.4574402      16.62986  22.78371 14.98516  22.78371 14.98516  0.000000       0.000000  
1 1 1 43 23 1  o 58.82140 7.429032  38.32491       5.908603  27.27487       11.81721  49.37495       11.81721  49.01836 12.10905  68.62444 8.610057  -19.60608      14.85806  
1 1 1 43 23 2  o 75.73192 6.256004  60.57271       6.647178  68.92099       13.29436  52.22442       13.29436  81.24365 8.181782  70.22018 9.466193  11.02348       12.51201  
1 1 1 43 23 3  o 32.82471 9.267872  7.890843       6.513757  9.644363       13.02751  6.137322       13.02751  33.97963 13.26494  31.66978 12.94663  2.309853       18.53574  
1 1 1 43 23 4  o 100.9679 4.603518  105.6163       6.494698  123.8710       12.98940  87.36155       12.98940  110.0077 5.903856  91.92799 7.064983  18.07973       9.207035  
1 1 1 43 23 5  o 42.22149 8.123112  16.90623       6.518523  -5.641763      13.03705  39.45421       13.03705  25.31387 11.54314  59.12911 11.43223  -33.81524      16.24622  
1 1 1 43 23 6  o 45.38062 9.506341  23.87266       6.875898  33.15488       13.75180  14.59044       13.75180  53.22540 13.01015  37.53583 13.86427  15.68957       19.01268  
1 1 1 43 23 7  o 89.16921 5.518605  83.84022       6.956903  81.48154       13.91381  86.19888       13.91381  87.84663 7.919374  90.49180 7.687882  -2.645172      11.03721  
1 1 1 43 23 8  o 71.70171 8.102077  58.77154       7.871783  70.10271       15.74357  47.44036       15.74357  80.11641 9.825432  63.28700 12.88548  16.82941       16.20415  
1 1 1 43 23 9  o 47.60034 14.87293  28.83779       15.69592  28.83779       15.69592  ?              ?         47.60034 14.87293  ?        ?         ?              ?         
1 1 1 43 23 10 o 37.13270 14.68857  16.49644       16.13430  16.49644       16.13430  ?              ?         37.13270 14.68857  ?        ?         ?              ?         
1 1 1 43 24 0  o 92.28464 10.12659  90.96389       18.29761  90.96389       18.29761  90.96389       18.29761  92.28464 10.12659  92.28464 10.12659  0.000000       0.000000  
1 1 1 43 24 1  o 100.1983 4.348221  103.7246       6.080142  122.6130       12.16028  84.83609       12.16028  109.6238 5.546369  90.77275 6.698202  18.85110       8.696443  
1 1 1 43 24 2  o 118.1477 4.212600  143.6791       6.975962  165.2312       13.95192  122.1270       13.95192  127.2685 5.481296  109.0268 6.398391  18.24168       8.425200  
1 1 1 43 24 3  o 59.03172 7.716670  39.39227       6.156383  25.42605       12.31277  53.35849       12.31277  46.90118 12.78064  71.16226 8.651191  -24.26108      15.43334  
1 1 1 43 24 4  o 61.65100 7.648973  43.17092       6.299332  58.16161       12.59866  28.18022       12.59866  74.17867 8.492108  49.12334 12.72443  25.05532       15.29795  
1 1 1 43 24 5  o 60.85706 7.969793  41.40310       6.675768  47.20211       13.35154  35.60410       13.35154  66.13062 10.09482  55.58348 12.33552  10.54714       15.93959  
1 1 1 43 24 6  o 89.67454 6.130230  85.73668       7.766953  81.70072       15.53391  89.77264       15.53391  87.42420 8.884214  91.92487 8.449240  -4.500671      12.26046  
1 1 1 43 24 7  o 61.26360 8.824075  44.43364       7.514408  28.97121       15.02882  59.89607       15.02882  48.53754 14.43303  73.98965 10.15602  -25.45211      17.64815  
1 1 1 43 24 8  o 41.48746 14.36582  20.95648       14.55232  20.95648       14.55232  ?              ?         41.48746 14.36582  ?        ?         ?              ?         
1 1 1 43 24 9  o 59.01619 9.940643  44.03815       8.238688  36.76675       16.47738  51.30954       16.47738  53.17506 14.90119  64.85732 13.16131  -11.68226      19.88129  
1 1 1 43 25 0  o 26.50589 16.78555  6.585233       18.66928  6.585233       18.66928  6.585233       18.66928  26.50589 16.78555  26.50589 16.78555  0.000000       0.000000  
1 1 1 43 25 1  f 69.51021 6.723184  51.65262       6.604293  53.76828       13.20859  49.53696       13.20859  71.03204 9.297625  67.98837 9.713856  3.043671       13.44637  
1 1 1 43 25 2  o 58.71412 8.585818  39.57811       6.894957  43.65695       13.78991  35.49926       13.78991  62.17535 11.52221  55.25290 12.73200  6.922451       17.17164  
1 1 1 43 25 3  o 103.8312 5.009195  112.7256       7.280923  94.96649       14.56185  130.4848       14.56185  95.27925 7.641667  112.3831 6.478662  -17.10387      10.01839  
1 1 1 43 25 4  o 52.53411 8.977354  32.13993       6.604293  30.76285       13.20859  33.51702       13.20859  51.28371 12.88395  53.78452 12.50501  -2.500809      17.95471  
1 1 1 43 25 5  o 92.75339 5.753241  91.86923       7.414343  110.5385       14.82869  73.19996       14.82869  102.8173 7.211182  82.68945 8.966492  20.12787       11.50648  
1 1 1 43 25 6  o 48.81480 9.955341  29.07604       7.257098  30.77238       14.51420  27.37970       14.51420  50.26511 13.95277  47.36450 14.20406  2.900612       19.91068  
1 1 1 43 25 7  o 28.01835 12.63091  -2.163311      14.95257  -2.163311      14.95257  ?              ?         28.01835 12.63091  ?        ?         ?              ?         
1 1 1 43 25 8  o 54.42979 14.22585  37.21466       15.65780  37.21466       15.65780  ?              ?         54.42979 14.22585  ?        ?         ?              ?         
1 1 1 43 25 9  o 36.97622 14.64227  17.45897       16.04853  17.45897       16.04853  ?              ?         36.97622 14.64227  ?        ?         ?              ?         
1 1 1 43 26 0  o 32.35830 18.79803  16.81093       19.59369  16.81093       19.59369  16.81093       19.59369  32.35830 18.79803  32.35830 18.79803  0.000000       0.000000  
1 1 1 43 26 1  o 50.90617 8.690031  29.76220       6.875898  46.06804       13.75180  13.45637       13.75180  65.10386 10.56143  36.70849 13.80300  28.39537       17.38006  
1 1 1 43 26 2  o 35.31501 9.536261  11.86486       6.642413  12.36995       13.28483  11.35976       13.28483  35.68726 13.52687  34.94276 13.44562  0.7445030      19.07252  
1 1 1 43 26 3  o 62.75923 7.919051  44.24781       6.813953  37.26231       13.62791  51.23330       13.62791  56.68470 12.36335  68.83377 9.899143  -12.14907      15.83810  
1 1 1 43 26 4  o 32.15022 9.532024  6.046787       7.314278  7.681183       14.62856  4.412392       14.62856  33.06122 13.65017  31.23921 13.30830  1.822012       19.06405  
1 1 1 43 26 5  o 72.16258 7.297341  57.21814       7.414343  51.56685       14.82869  62.86944       14.82869  68.24692 10.86400  76.07825 9.745681  -7.831329      14.59468  
1 1 1 43 26 6  o 28.44935 12.69282  -0.8100503     14.74292  -0.8100503     14.74292  ?              ?         28.44935 12.69282  ?        ?         ?              ?         
1 1 1 43 26 7  o 33.72194 14.01524  8.681833       15.58156  8.681833       15.58156  ?              ?         33.72194 14.01524  ?        ?         ?              ?         
1 1 1 43 26 8  o 61.17371 9.438784  48.41243       8.391169  27.76090       16.78234  69.06394       16.78234  45.05099 15.44388  77.29643 10.85583  -32.24544      18.87757  
1 1 1 43 27 0  o 37.44428 19.58906  24.44446       19.05048  24.44446       19.05048  24.44446       19.05048  37.44428 19.58906  37.44428 19.58906  0.000000       0.000000  
1 1 1 43 27 1  o 34.08852 9.571942  9.992209       6.928313  7.795544       13.85663  12.18888       13.85663  32.67393 13.35388  35.50310 13.71723  -2.829166      19.14388  
1 1 1 43 27 2  f 40.54874 9.495902  18.52156       6.685298  26.87461       13.37060  10.16851       13.37060  47.25445 13.48178  33.84304 13.37648  13.41141       18.99180  
1 1 1 43 27 3  o 26.54558 8.556090  -5.274857      7.147503  -1.782111      14.29501  -8.767603      14.29501  27.94489 12.48229  25.14627 11.70552  2.798616       17.11218  
1 1 1 43 27 4  o 33.81128 9.362816  6.523288       7.323808  -7.738363      14.64762  20.78494       14.64762  25.79696 11.94682  41.82560 14.41953  -16.02864      18.72563  
1 1 1 43 27 5  o 40.13997 14.65251  19.00283       15.31472  19.00283       15.31472  ?              ?         40.13997 14.65251  ?        ?         ?              ?         
1 1 1 43 27 6  o 65.96803 8.697986  51.00458       7.924198  56.29373       15.84840  45.71543       15.84840  70.54219 11.23328  61.39388 13.28282  9.148315       17.39597  
1 1 1 43 27 7  o 99.56272 5.869390  107.6319       8.243454  115.7609       16.48691  99.50277       16.48691  103.6451 7.953537  95.48032 8.633667  8.164795       11.73878  
1 1 1 43 28 0  o 34.13690 19.32747  20.14643       20.05113  20.14643       20.05113  20.14643       20.05113  34.13690 19.32747  34.13690 19.32747  0.000000       0.000000  
1 1 1 43 28 1  o 65.56276 7.507144  48.13128       6.713887  40.38816       13.42777  55.87441       13.42777  59.18773 11.76119  71.93779 9.332908  -12.75006      15.01429  
1 1 1 43 28 2  o 64.47806 7.965458  47.34506       7.023612  39.40656       14.04722  55.28355       14.04722  57.80942 12.50349  71.14669 9.872016  -13.33727      15.93092  
1 1 1 43 28 3  o 22.14971 10.71566  -18.81223      14.58090  -18.81223      14.58090  ?              ?         22.14971 10.71566  ?        ?         ?              ?         
1 1 1 43 28 4  o 42.04114 14.56161  21.67123       14.95257  21.67123       14.95257  ?              ?         42.04114 14.56161  ?        ?         ?              ?         
1 1 1 43 28 5  o 27.36597 12.49965  -4.726882      15.39096  -4.726882      15.39096  ?              ?         27.36597 12.49965  ?        ?         ?              ?         
1 1 1 43 28 6  o 62.12525 9.311533  47.76914       7.928963  44.90538       15.85793  50.63291       15.85793  59.82581 13.56361  64.42469 12.76116  -4.598881      18.62307  
1 1 1 43 29 0  o 19.07496 13.56286  -17.84017      20.32750  -17.84017      20.32750  -17.84017      20.32750  19.07496 13.56286  19.07496 13.56286  0.000000       0.000000  
1 1 1 43 29 1  o 37.84068 14.16754  16.03900       14.45702  16.03900       14.45702  ?              ?         37.84068 14.16754  ?        ?         ?              ?         
1 1 1 43 29 2  o 23.92066 11.28698  -11.57895      14.28548  -11.57895      14.28548  ?              ?         23.92066 11.28698  ?        ?         ?              ?         
1 1 1 43 29 3  o 30.62171 13.17765  4.031191       14.59997  4.031191       14.59997  ?              ?         30.62171 13.17765  ?        ?         ?              ?         
1 1 1 43 29 4  o 30.32948 13.11613  3.669051       14.59997  3.669051       14.59997  ?              ?         30.32948 13.11613  ?        ?         ?              ?         
1 1 1 43 29 5  o 54.36234 14.12602  38.45356       15.49579  38.45356       15.49579  ?              ?         54.36234 14.12602  ?        ?         ?              ?         
1 1 1 43 30 1  o 26.54473 12.25916  -6.547113      15.28613  -6.547113      15.28613  ?              ?         26.54473 12.25916  ?        ?         ?              ?         
1 1 1 43 30 2  o 44.01200 14.75812  24.58741       15.32425  24.58741       15.32425  ?              ?         44.01200 14.75812  ?        ?         ?              ?         
1 1 1 43 30 3  o 42.53410 14.95420  23.41522       15.81981  23.41522       15.81981  ?              ?         42.53410 14.95420  ?        ?         ?              ?         
1 1 1 43 30 4  o 21.72298 10.64091  -21.81418      15.61968  -21.81418      15.61968  ?              ?         21.72298 10.64091  ?        ?         ?              ?         
1 1 1 43 31 1  o 29.69821 13.19391  2.954301       15.77216  2.954301       15.77216  ?              ?         29.69821 13.19391  ?        ?         ?              ?         
1 1 1 43 31 2  o 42.95955 14.94807  26.74119       15.77216  26.74119       15.77216  ?              ?         42.95955 14.94807  ?        ?         ?              ?         
1 1 1 44 0  0  o 51.02687 17.38376  34.29848       15.87699  34.29848       15.87699  34.29848       15.87699  51.02687 17.38376  51.02687 17.38376  0.000000       0.000000  
1 1 1 44 0  1  o 50.66226 12.85443  30.69614       11.24540  30.69614       11.24540  30.69614       11.24540  50.66226 12.85443  50.66226 12.85443  0.000000       0.000000  
1 1 1 44 0  2  o 19.04402 12.30557  0.8958204      10.60689  0.8958204      10.60689  0.8958204      10.60689  19.04402 12.30557  19.04402 12.30557  0.000000       0.000000  
1 1 1 44 0  3  o 68.69241 8.318627  49.82286       11.15010  49.82286       11.15010  49.82286       11.15010  68.69241 8.318627  68.69241 8.318627  0.000000       0.000000  
1 1 1 44 0  4  o 161.3926 5.395502  262.7708       17.37320  262.7708       17.37320  262.7708       17.37320  161.3926 5.395502  161.3926 5.395502  0.000000       0.000000  
1 1 1 44 0  5  o 139.9788 6.063377  198.4623       16.90623  198.4623       16.90623  198.4623       16.90623  139.9788 6.063377  139.9788 6.063377  0.000000       0.000000  
1 1 1 44 0  6  o 72.38097 14.21203  59.89607       18.34526  59.89607       18.34526  59.89607       18.34526  72.38097 14.21203  72.38097 14.21203  0.000000       0.000000  
1 1 1 44 0  7  o 28.18044 17.64867  7.624003       20.00348  7.624003       20.00348  7.624003       20.00348  28.18044 17.64867  28.18044 17.64867  0.000000       0.000000  
1 1 1 44 0  8  o 55.80935 18.28972  41.74142       18.03077  41.74142       18.03077  41.74142       18.03077  55.80935 18.28972  55.80935 18.28972  0.000000       0.000000  
1 1 1 44 0  9  o 27.20330 16.91223  7.728833       17.99265  7.728833       17.99265  7.728833       17.99265  27.20330 16.91223  27.20330 16.91223  0.000000       0.000000  
1 1 1 44 0  10 o 63.85998 16.37722  50.59479       18.04983  50.59479       18.04983  50.59479       18.04983  63.85998 16.37722  63.85998 16.37722  0.000000       0.000000  
1 1 1 44 0  11 o 43.14272 22.23517  32.51637       24.30151  32.51637       24.30151  32.51637       24.30151  43.14272 22.23517  43.14272 22.23517  0.000000       0.000000  
1 1 1 44 0  12 o 27.07588 18.14234  -0.9720604     26.45529  -0.9720604     26.45529  -0.9720604     26.45529  27.07588 18.14234  27.07588 18.14234  0.000000       0.000000  
1 1 1 44 1  0  o 64.51180 9.818878  44.25734       12.04593  44.25734       12.04593  44.25734       12.04593  64.51180 9.818878  64.51180 9.818878  0.000000       0.000000  
1 1 1 44 1  1  o 132.1044 2.388641  176.4099       4.417156  147.6102       8.834313  205.2096       8.834313  121.2041 3.644397  143.0048 3.088818  -21.80069      4.777282  
1 1 1 44 1  2  o 80.56133 3.760418  65.58549       4.283737  66.77674       8.567473  64.39423       8.567473  81.30067 5.269006  79.82198 5.366613  1.478691       7.520835  
1 1 1 44 1  3  o 147.6705 2.186375  218.8899       4.564872  213.3577       9.129744  224.4221       9.129744  145.7974 3.130970  149.5437 3.052535  -3.746292      4.372750  
1 1 1 44 1  4  o 65.28046 6.007975  43.77608       5.546463  44.11439       11.09293  43.43776       11.09293  65.53959 8.462767  65.02134 8.530219  0.5182495      12.01595  
1 1 1 44 1  5  o 52.52113 7.123671  31.36800       5.474988  7.023612       10.94998  55.71240       10.94998  31.20663 12.16565  73.83562 7.415102  -42.62899      14.24734  
1 1 1 44 1  6  o 136.1900 3.229043  187.6935       6.199268  170.5394       12.39854  204.8474       12.39854  129.8921 4.772628  142.4878 4.350737  -12.59564      6.458087  
1 1 1 44 1  7  o 137.0666 3.629509  190.3571       7.033143  184.7487       14.06629  195.9655       14.06629  135.0207 5.208935  139.1125 5.055724  -4.091751      7.259018  
1 1 1 44 1  8  o 76.43230 5.934107  60.46787       6.413693  61.37323       12.82739  59.56252       12.82739  77.02455 8.326817  75.84004 8.456869  1.184509       11.86821  
1 1 1 44 1  9  o 43.65804 9.258959  20.50857       6.651943  31.21076       13.30389  9.806375       13.30389  52.66280 12.74935  34.65329 13.43010  18.00951       18.51792  
1 1 1 44 1  10 o 62.08878 8.747252  43.42823       7.504878  53.62533       15.00976  33.23112       15.00976  70.73100 10.61045  53.44656 13.90956  17.28444       17.49450  
1 1 1 44 1  11 o 26.64930 8.772448  -10.95474      8.100503  -8.872433      16.20101  -13.03705      16.20101  27.35582 12.62877  25.94278 12.17939  1.413042       17.54490  
1 1 1 44 1  12 o 32.73895 14.04331  4.212262       16.48691  4.212262       16.48691  ?              ?         32.73895 14.04331  ?        ?         ?              ?         
1 1 1 44 1  13 o 85.18800 7.631337  80.93356       9.191689  79.14668       18.38338  82.72043       18.38338  84.13922 10.92438  86.23679 10.65866  -2.097565      15.26267  
1 1 1 44 2  0  o 36.91131 15.32929  19.74617       11.21681  19.74617       11.21681  19.74617       11.21681  36.91131 15.32929  36.91131 15.32929  0.000000       0.000000  
1 1 1 44 2  1  o 121.0363 2.801707  147.4720       4.788827  138.4043       9.577654  156.5398       9.577654  117.2904 4.082882  124.7822 3.837750  -7.491814      5.603414  
1 1 1 44 2  2  o 62.32156 4.536417  39.55429       3.978776  43.98096       7.957553  35.12759       7.957553  65.87305 6.040068  58.77007 6.770073  7.102978       9.072833  
1 1 1 44 2  3  o 30.74846 7.428832  9.039209       3.935891  11.61707       7.871783  6.461343       7.871783  33.45455 10.54863  28.04237 10.46310  5.412182       14.85766  
1 1 1 44 2  4  o 56.07436 6.641195  33.01193       5.131907  36.26167       10.26381  29.76220       10.26381  59.38718 8.641438  52.76153 10.08699  6.625652       13.28239  
1 1 1 44 2  5  o 86.65028 4.799687  76.52593       5.875248  80.56666       11.75050  72.48521       11.75050  88.98191 6.602744  84.31866 6.967909  4.663254       9.599374  
1 1 1 44 2  6  o 53.43239 8.087335  31.35371       5.932428  31.17264       11.86486  31.53478       11.86486  53.26418 11.46598  53.60060 11.40839  -0.3364220     16.17467  
1 1 1 44 2  7  o 85.21777 5.060473  75.25844       5.989607  91.17355       11.97921  59.34333       11.97921  94.55568 6.334476  75.87987 7.893539  18.67581       10.12095  
1 1 1 44 2  8  o 106.3155 4.772840  115.5990       7.176094  115.7609       14.35219  115.4369       14.35219  106.3917 6.744976  106.2393 6.754651  0.1523819      9.545679  
1 1 1 44 2  9  o 28.69987 8.791091  -0.5336803     6.680532  4.402862       13.36106  -5.470222      13.36106  31.22785 12.97842  26.17189 11.86144  5.055960       17.58218  
1 1 1 44 2  10 o 32.77495 9.163376  8.009968       6.342218  11.01669       12.68444  5.003252       12.68444  34.81466 13.21136  30.73524 12.70157  4.079424       18.32675  
1 1 1 44 2  11 o 43.82681 10.87258  20.59910       8.791429  31.28700       17.58286  9.911204       17.58286  50.89821 15.70919  36.75541 15.03574  14.14280       21.74516  
1 1 1 44 2  12 o 30.86631 9.406047  0.7719306      7.762188  9.701544       15.52438  -8.157682      15.52438  35.01922 14.19610  26.71340 12.34364  8.305819       18.81209  
1 1 1 44 2  13 o 80.05714 8.721549  73.87183       9.854024  69.12112       19.70805  78.62253       19.70805  77.09007 12.78248  83.02421 11.86886  -5.934143      17.44310  
1 1 1 44 3  0  o 41.15527 15.87376  23.80595       12.33182  23.80595       12.33182  23.80595       12.33182  41.15527 15.87376  41.15527 15.87376  0.000000       0.000000  
1 1 1 44 3  1  o 75.69521 3.920328  58.43798       4.140787  69.26407       8.281574  47.61190       8.281574  82.84631 4.998155  68.54410 6.041055  14.30221       7.840657  
1 1 1 44 3  2  o 29.72710 7.396055  8.219628       3.873947  9.263164       7.747893  7.176094       7.747893  30.81108 10.49383  28.64312 10.42526  2.167955       14.79211  
1 1 1 44 3  3  o 81.10268 3.474089  66.54325       3.969247  59.85795       7.938493  73.22855       7.938493  76.98117 5.156127  85.22418 4.657418  -8.243011      6.948179  
1 1 1 44 3  4  o 38.25659 8.599460  15.35284       5.236737  14.25689       10.47347  16.44879       10.47347  37.19522 12.20077  39.31797 12.12205  -2.122746      17.19892  
1 1 1 44 3  5  o 78.33945 5.143381  62.82179       5.679882  57.12284       11.35976  68.52073       11.35976  74.70212 7.603375  81.97679 6.928647  -7.274673      10.28676  
1 1 1 44 3  6  o 51.89013 8.009567  29.96234       6.108732  46.18240       12.21746  13.74226       12.21746  66.61064 9.170805  37.16962 13.13427  29.44102       16.01913  
1 1 1 44 3  7  o 74.77119 6.093989  59.48152       6.151618  39.86400       12.30324  79.09904       12.30324  61.65284 9.977834  87.88956 6.999259  -26.23672      12.18798  
1 1 1 44 3  8  o 141.9670 3.400377  204.2232       6.809187  221.0389       13.61837  187.4075       13.61837  147.8894 4.604245  136.0446 5.005116  11.84479       6.800754  
1 1 1 44 3  9  o 79.53510 7.727463  69.55473       8.071913  91.66911       16.14383  47.44036       16.14383  93.90268 8.596042  65.16753 12.84379  28.73515       15.45493  
1 1 1 44 3  10 o 73.15147 8.665131  59.34333       8.767603  62.14515       17.53521  56.54151       17.53521  75.60979 11.59586  70.69315 12.87921  4.916649       17.33026  
1 1 1 44 3  11 o 70.15776 8.703618  55.67905       8.319694  66.57661       16.63939  44.78149       16.63939  78.47196 10.60212  61.84357 13.80604  16.62840       17.40724  
1 1 1 44 3  12 o 47.22010 15.85967  27.30346       17.69722  27.30346       17.69722  ?              ?         47.22010 15.85967  ?        ?         ?              ?         
1 1 1 44 3  13 o 66.68208 9.570441  53.64915       8.862904  62.62165       17.72581  44.67665       17.72581  73.93420 11.98756  59.42995 14.92219  14.50425       19.14088  
1 1 1 44 4  0  o 158.9697 4.528237  254.2796       14.37125  254.2796       14.37125  254.2796       14.37125  158.9697 4.528237  158.9697 4.528237  0.000000       0.000000  
1 1 1 44 4  1  o 91.09614 3.351245  83.74014       4.312327  88.38126       8.624654  79.09904       8.624654  93.64351 4.605046  88.54877 4.870002  5.094742       6.702490  
1 1 1 44 4  2  o 247.3619 2.036508  614.6328       7.109383  569.1033       14.21877  660.1625       14.21877  238.1589 2.985143  256.5649 2.770988  -18.40604      4.073015  
1 1 1 44 4  3  o 36.53586 6.020113  12.19840       4.040722  28.23740       8.081444  -3.840591      8.081444  52.55444 7.688641  20.51728 9.265625  32.03715       12.04023  
1 1 1 44 4  4  o 83.97103 4.956334  74.30066       5.565523  47.15446       11.13105  101.4469       11.13105  67.80699 8.207889  100.1351 5.558015  -32.32808      9.912667  
1 1 1 44 4  5  o 146.3485 3.069164  215.8784       6.351747  212.9670       12.70349  218.7898       12.70349  145.3538 4.369852  147.3432 4.310853  -1.989365      6.138327  
1 1 1 44 4  6  o 62.85150 7.308096  42.62294       6.223093  33.33595       12.44619  51.90993       12.44619  54.99553 11.66929  70.70747 8.801182  -15.71193      14.61619  
1 1 1 44 4  7  o 70.83723 6.602095  52.73428       6.518523  62.60260       13.03705  42.86596       13.03705  77.80272 8.378272  63.87174 10.20565  13.93098       13.20419  
1 1 1 44 4  8  o 102.5924 4.942248  108.6278       7.085558  89.86794       14.17112  127.3876       14.17112  93.44954 7.582229  111.7353 6.341378  -18.28576      9.884497  
1 1 1 44 4  9  o 136.0984 4.413054  189.4279       8.472174  204.7331       16.94435  174.1227       16.94435  141.7212 5.978056  130.4755 6.493305  11.24568       8.826108  
1 1 1 44 4  10 o 59.96121 8.698556  41.32209       7.295218  58.41892       14.59044  24.22527       14.59044  74.12231 9.842136  45.80012 14.34545  28.32219       17.39711  
1 1 1 44 4  11 o 110.7633 6.020993  129.3031       9.429938  131.8476       18.85988  126.7586       18.85988  111.9119 8.426216  109.6146 8.602809  2.297249       12.04199  
1 1 1 44 4  12 o 29.90776 13.43386  -2.353911      16.76328  -2.353911      16.76328  ?              ?         29.90776 13.43386  ?        ?         ?              ?         
1 1 1 44 4  13 o 37.47006 14.68941  14.70480       16.01041  14.70480       16.01041  ?              ?         37.47006 14.68941  ?        ?         ?              ?         
1 1 1 44 4  14 o 33.14829 14.17269  7.995674       16.69657  7.995674       16.69657  ?              ?         33.14829 14.17269  ?        ?         ?              ?         
1 1 1 44 5  0  o 108.8254 6.037658  120.3163       13.05611  120.3163       13.05611  120.3163       13.05611  108.8254 6.037658  108.8254 6.037658  0.000000       0.000000  
1 1 1 44 5  1  o 58.05286 5.221189  34.61774       4.240851  40.31192       8.481703  28.92356       8.481703  62.95716 6.736091  53.14855 7.979243  9.808605       10.44238  
1 1 1 44 5  2  f 43.20811 6.974126  20.07972       4.169377  20.13690       8.338754  20.02254       8.338754  43.27148 9.853004  43.14474 9.872793  0.1267319      13.94825  
1 1 1 44 5  3  o 77.81958 3.817195  61.29698       4.193202  65.54736       8.386403  57.04660       8.386403  80.55050 5.205681  75.08866 5.584334  5.461838       7.634389  
1 1 1 44 5  4  o 53.23430 6.302256  29.93374       4.564872  23.96796       9.129744  35.89952       9.129744  47.22567 9.975038  59.24293 7.705344  -12.01727      12.60451  
1 1 1 44 5  5  o 79.92109 5.125605  65.41871       5.779948  60.42022       11.55990  70.41720       11.55990  76.79395 7.526567  83.04823 6.959748  -6.254288      10.25121  
1 1 1 44 5  6  o 141.0453 3.428005  201.8169       6.809187  222.8401       13.61837  180.7937       13.61837  148.4979 4.585376  133.5926 5.096979  14.90529       6.856009  
1 1 1 44 5  7  o 30.74873 8.658195  3.001951       6.218328  13.61837       12.43666  -7.614474      12.43666  37.18143 13.24013  24.31603 11.16048  12.86541       17.31639  
1 1 1 44 5  8  o 114.8648 4.377139  134.7018       7.095088  124.7096       14.19018  144.6940       14.19018  110.5152 6.420011  119.2143 5.951540  -8.699112      8.754277  
1 1 1 44 5  9  o 146.1153 3.468085  216.6837       7.147503  234.5906       14.29501  198.7768       14.29501  152.2429 4.694801  139.9876 5.105811  12.25531       6.936170  
1 1 1 44 5  10 o 50.53524 10.34605  28.89021       8.820019  47.74532       17.64004  10.03509       17.64004  64.01576 14.15521  37.05472 15.09283  26.96104       20.69211  
1 1 1 44 5  11 o 74.00267 8.324713  62.69790       8.114799  83.76874       16.22960  41.62705       16.22960  88.72018 9.146508  59.28515 13.91204  29.43503       16.64943  
1 1 1 44 5  12 o 62.56718 9.518468  46.63984       8.191037  41.07431       16.38207  52.20536       16.38207  58.16813 14.18858  66.96623 12.69209  -8.798100      19.03694  
1 1 1 44 6  0  o 114.0977 5.489661  131.8190       12.46525  131.8190       12.46525  131.8190       12.46525  114.0977 5.489661  114.0977 5.489661  0.000000       0.000000  
1 1 1 44 6  1  o 83.66435 3.832617  70.80793       4.531517  73.84800       9.063033  67.76785       9.063033  85.48119 5.301187  81.84753 5.536535  3.633659       7.665233  
1 1 1 44 6  2  o 171.2305 2.234084  294.3676       5.408277  285.8715       10.81655  302.8635       10.81655  168.7497 3.204912  173.7114 3.113369  -4.961731      4.468168  
1 1 1 44 6  3  o 66.91918 4.263711  46.21099       3.921597  58.54281       7.843193  33.87916       7.843193  76.13315 5.150971  57.70522 6.795914  18.42793       8.527423  
1 1 1 44 6  4  o 121.8499 3.062561  149.6211       5.274857  155.0055       10.54971  144.2366       10.54971  124.0593 4.251882  119.6404 4.408926  4.418930       6.125123  
1 1 1 44 6  5  o 61.81884 6.658367  40.99807       5.494047  52.20536       10.98809  29.79079       10.98809  71.30235 7.705283  52.33534 10.86112  18.96700       13.31673  
1 1 1 44 6  6  o 73.80673 6.186233  57.12284       6.346982  68.77805       12.69396  45.46765       12.69396  81.70249 7.768408  65.91097 9.629629  15.79152       12.37247  
1 1 1 44 6  7  o 79.51820 5.742504  65.26622       6.456578  63.86055       12.91316  66.67191       12.91316  78.63434 8.210889  80.40208 8.030362  -1.767738      11.48501  
1 1 1 44 6  8  o 69.64616 7.368780  52.44838       6.909253  40.31192       13.81851  64.58484       13.81851  60.47896 11.84662  78.81335 8.766603  -18.33438      14.73756  
1 1 1 44 6  9  o 133.2820 4.074711  181.0320       7.676419  187.6267       15.35284  174.4372       15.35284  135.7559 5.654573  130.8080 5.868464  4.947983       8.149422  
1 1 1 44 6  10 o 88.70422 6.685287  83.33035       8.386403  82.95869       16.77281  83.70203       16.77281  88.49472 9.476727  88.91372 9.432069  -0.4189987     13.37057  
1 1 1 44 6  11 o 54.46220 9.466191  34.75592       8.157682  15.25754       16.31536  54.25431       16.31536  38.92192 14.92089  70.00248 11.65342  -31.08055      18.93238  
1 1 1 44 6  12 o 58.59484 16.03246  43.77131       19.32685  43.77131       19.32685  ?              ?         58.59484 16.03246  ?        ?         ?              ?         
1 1 1 44 6  13 o 31.05648 13.52360  3.354562       15.72451  3.354562       15.72451  ?              ?         31.05648 13.52360  ?        ?         ?              ?         
1 1 1 44 7  0  o 22.94658 14.18033  5.031842       12.50336  5.031842       12.50336  5.031842       12.50336  22.94658 14.18033  22.94658 14.18033  0.000000       0.000000  
1 1 1 44 7  1  o 34.15952 7.230159  11.40265       4.188437  19.47933       8.376874  3.325971       8.376874  42.52328 10.00537  25.79576 10.43999  16.72752       14.46032  
1 1 1 44 7  2  o 46.84882 6.628162  23.41998       4.293266  29.75267       8.586533  17.08730       8.586533  53.90494 7.964514  39.79271 10.59701  14.11224       13.25632  
1 1 1 44 7  3  o 76.63232 4.355627  60.78713       4.569637  43.54259       9.139274  78.03167       9.139274  65.38085 6.989259  87.88380 5.199635  -22.50295      8.711254  
1 1 1 44 7  4  o 51.09892 6.763319  27.71802       4.755473  23.02449       9.510944  32.41154       9.510944  46.08803 10.54226  56.10982 8.475295  -10.02179      13.52664  
1 1 1 44 7  5  o 75.00881 5.064498  57.83283       5.341567  64.79450       10.68313  50.87116       10.68313  79.64938 6.706351  70.36825 7.590877  9.281128       10.12900  
1 1 1 44 7  6  o 26.21116 8.071066  -1.081656      5.660822  -4.136022      11.32164  1.972711       11.32164  24.52890 11.02797  27.89342 11.78780  -3.364513      16.14213  
1 1 1 44 7  7  o 68.94542 6.502948  49.57985       6.323157  53.65392       12.64631  45.50577       12.64631  71.89999 8.794379  65.99085 9.581869  5.909134       13.00590  
1 1 1 44 7  8  o 87.82162 5.393017  79.76137       6.656708  89.66782       13.31342  69.85493       13.31342  93.46171 7.122390  82.18153 8.100005  11.28018       10.78603  
1 1 1 44 7  9  o 54.51292 9.338031  33.90299       7.133208  34.43190       14.26642  33.37407       14.26642  54.97503 13.13577  54.05081 13.27580  0.9242172      18.67606  
1 1 1 44 7  10 o 43.44290 9.728075  19.73187       7.519173  34.24130       15.03835  5.222442       15.03835  54.19888 13.82648  32.68692 13.68833  21.51196       19.45615  
1 1 1 44 7  11 o 27.75921 8.962564  -7.624004      7.990908  -16.30584      15.98182  1.057830       15.98182  24.58194 11.73371  30.93649 13.55102  -6.354553      17.92513  
1 1 1 44 7  12 o 86.93839 7.568493  83.77350       9.201219  96.86296       18.40244  70.68404       18.40244  94.46640 9.740203  79.41038 11.58692  15.05602       15.13699  
1 1 1 44 8  0  o 165.5531 4.384598  275.6458       14.49514  275.6458       14.49514  275.6458       14.49514  165.5531 4.384598  165.5531 4.384598  0.000000       0.000000  
1 1 1 44 8  1  o 121.0989 2.988168  147.7246       5.112847  140.4818       10.22569  154.9674       10.22569  118.1084 4.328944  124.0893 4.120296  -5.980904      5.976336  
1 1 1 44 8  2  f 83.27954 3.908898  70.30283       4.588697  63.83197       9.177394  76.77370       9.177394  79.39451 5.779615  87.16458 5.264406  -7.770073      7.817795  
1 1 1 44 8  3  o 128.5833 2.569017  166.5702       4.655407  150.6598       9.310814  182.4805       9.310814  122.3965 3.803546  134.7701 3.454334  -12.37358      5.138033  
1 1 1 44 8  4  o 23.33171 6.922365  1.148365       3.883476  -0.4765002     7.766953  2.773231       7.766953  22.10988 9.564102  24.55353 10.01022  -2.443645      13.84473  
1 1 1 44 8  5  o 21.45776 7.084383  -9.796844      5.360627  -14.28548      10.72125  -5.308212      10.72125  19.67335 9.442988  23.24216 10.56333  -3.568815      14.16877  
1 1 1 44 8  6  o 89.51881 5.395878  84.21188       6.585233  59.20991       13.17047  109.2138       13.17047  75.55417 8.715909  103.4835 6.363561  -27.92928      10.79176  
1 1 1 44 8  7  o 28.68219 8.807396  -0.2859001     6.651943  1.467621       13.30389  -2.039421      13.30389  29.58225 12.64966  27.78213 12.25835  1.800121       17.61479  
1 1 1 44 8  8  o 199.8274 3.114700  403.5719       8.796195  386.6799       17.59239  420.4637       17.59239  195.6008 4.497013  204.0541 4.310718  -8.453262      6.229399  
1 1 1 44 8  9  o 43.77843 9.868243  21.63311       6.875898  22.24303       13.75180  21.02319       13.75180  44.28963 13.93798  43.26722 13.97360  1.022408       19.73649  
1 1 1 44 8  10 f 94.05063 5.809415  92.73170       7.676419  104.4298       15.35284  81.03362       15.35284  100.2697 7.655774  87.83160 8.739928  12.43806       11.61883  
1 1 1 44 8  11 o 64.69531 9.386229  49.38924       8.462644  66.62426       16.92529  32.15423       16.92529  78.10970 10.83430  51.28092 15.33046  26.82878       18.77246  
1 1 1 44 8  12 o 65.43392 9.012371  49.86098       8.157682  56.70352       16.31536  43.01844       16.31536  71.21205 11.45548  59.65579 13.91630  11.55626       18.02474  
1 1 1 44 9  0  o 18.79100 12.67010  -4.145552      13.27530  -4.145552      13.27530  -4.145552      13.27530  18.79100 12.67010  18.79100 12.67010  0.000000       0.000000  
1 1 1 44 9  1  o 69.38310 4.625855  49.07000       4.517222  54.52115       9.034444  43.61883       9.034444  73.31141 6.161690  65.45480 6.901284  7.856606       9.251711  
1 1 1 44 9  2  o 76.04768 4.284281  58.88589       4.579167  51.45249       9.158334  66.31930       9.158334  71.16035 6.434998  80.93501 5.657832  -9.774658      8.568563  
1 1 1 44 9  3  o 143.3147 2.637857  206.5724       5.346332  207.0774       10.69266  206.0673       10.69266  143.4909 3.725904  143.1385 3.735077  0.3524170      5.275714  
1 1 1 44 9  4  o 100.1802 3.262310  101.8186       4.588697  87.90475       9.177394  115.7324       9.177394  93.23584 4.921602  107.1246 4.283514  -13.88877      6.524619  
1 1 1 44 9  5  o 104.5314 4.263459  112.0347       6.232623  130.8851       12.46525  93.18438       12.46525  113.5480 5.488976  95.51481 6.525294  18.03320       8.526917  
1 1 1 44 9  6  o 79.89681 6.209489  70.96041       6.084907  36.60475       12.16981  105.3161       12.16981  58.04987 10.88408  101.7438 5.980620  -43.69388      12.41898  
1 1 1 44 9  7  o 128.8155 3.920217  168.7097       7.128443  180.3267       14.25689  157.0926       14.25689  133.3247 5.346681  124.3063 5.734580  9.018379       7.840434  
1 1 1 44 9  8  o 37.00524 9.609821  11.76479       6.961668  3.278321       13.92334  20.25126       13.92334  31.05713 13.09592  42.95335 14.06739  -11.89622      19.21964  
1 1 1 44 9  9  o 55.53400 8.566513  35.18954       6.871132  51.07129       13.74226  19.30779       13.74226  69.33009 9.910750  41.73790 13.97561  27.59220       17.13303  
1 1 1 44 9  10 o 42.58111 10.45640  19.69852       7.905138  12.88457       15.81028  26.51247       15.81028  37.64777 14.63031  47.51445 14.94320  -9.866676      20.91280  
1 1 1 44 9  11 o 105.6051 6.086148  119.9208       8.805725  152.2990       17.61145  87.54261       17.61145  120.9350 7.281372  90.27528 9.754302  30.65968       12.17230  
1 1 1 44 9  12 o 36.89470 14.74148  12.70349       16.40114  12.70349       16.40114  ?              ?         36.89470 14.74148  ?        ?         ?              ?         
1 1 1 44 10 0  o 55.72079 13.88156  37.13842       13.37060  37.13842       13.37060  37.13842       13.37060  55.72079 13.88156  55.72079 13.88156  0.000000       0.000000  
1 1 1 44 10 1  o 26.42970 7.584584  3.445096       4.426687  4.174142       8.853374  2.716051       8.853374  26.99380 10.81191  25.86559 10.63984  1.128208       15.16917  
1 1 1 44 10 2  o 89.06515 3.781039  81.25758       4.669702  63.10768       9.339403  99.40748       9.339403  78.87604 5.920305  99.25426 4.704788  -20.37822      7.562079  
1 1 1 44 10 3  o 92.72334 3.496555  86.98033       4.579167  81.94851       9.158334  92.01218       9.158334  90.00998 5.087399  95.43671 4.798120  -5.426727      6.993110  
1 1 1 44 10 4  f 27.01471 7.695078  4.126492       4.521987  4.984192       9.043974  3.268791       9.043974  27.68424 10.98265  26.34518 10.78139  1.339056       15.39016  
1 1 1 44 10 5  o 45.30696 8.559364  22.78624       5.622702  19.72711       11.24540  25.84537       11.24540  42.31086 12.45988  48.30306 11.73892  -5.992199      17.11873  
1 1 1 44 10 6  o 73.00583 5.206419  54.71175       5.374923  55.54086       10.74985  53.88265       10.74985  73.57367 7.305498  72.43800 7.420032  1.135674       10.41284  
1 1 1 44 10 7  o 82.02159 5.677185  69.66434       6.561408  76.28768       13.12282  63.04098       13.12282  86.05916 7.624299  77.98403 8.413784  8.075127       11.35437  
1 1 1 44 10 8  o 31.88432 9.485215  2.701756       7.457228  -3.993072      14.91446  9.396584       14.91446  28.36417 12.70759  35.40446 14.08525  -7.040293      18.97043  
1 1 1 44 10 9  o 117.8718 4.787677  143.1550       7.976613  148.3917       15.95323  137.9182       15.95323  120.0932 6.642019  115.6505 6.897173  4.442741       9.575355  
1 1 1 44 10 10 o 61.82226 8.424956  43.16615       7.166563  33.77433       14.33313  52.55797       14.33313  53.75946 13.37008  69.88506 10.25479  -16.12559      16.84991  
1 1 1 44 10 11 o 56.34623 9.721156  38.22008       7.933728  51.11895       15.86746  25.32122       15.86746  66.76292 12.34830  45.92954 15.01743  20.83338       19.44231  
1 1 1 44 10 12 o 29.96608 13.75093  -5.803772      18.86941  -5.803772      18.86941  ?              ?         29.96608 13.75093  ?        ?         ?              ?         
1 1 1 44 11 0  o 34.65089 16.94122  18.72646       13.76132  18.72646       13.76132  18.72646       13.76132  34.65089 16.94122  34.65089 16.94122  0.000000       0.000000  
1 1 1 44 11 1  o 74.21449 4.949216  56.25084       5.189087  59.14321       10.37817  53.35849       10.37817  76.16314 6.813122  72.26585 7.180552  3.897285       9.898432  
1 1 1 44 11 2  o 112.0137 2.974086  126.5966       4.703057  135.1640       9.406114  118.0291       9.406114  115.8380 4.060029  108.1894 4.347058  7.648598       5.948172  
1 1 1 44 11 3  o 52.74403 6.806903  29.85274       4.888892  30.13387       9.777783  29.57160       9.777783  53.01375 9.572329  52.47430 9.680199  0.5394440      13.61381  
1 1 1 44 11 4  o 55.81487 5.975298  33.27401       4.455277  24.32057       8.910554  42.22744       8.910554  47.41964 9.729991  64.21011 6.938592  -16.79046      11.95060  
1 1 1 44 11 5  o 129.2561 3.268017  168.8669       5.970548  175.2282       11.94110  162.5056       11.94110  131.7168 4.532867  126.7954 4.708806  4.921440       6.536034  
1 1 1 44 11 6  o 86.53913 5.087492  77.87442       6.084907  59.36240       12.16981  96.38647       12.16981  75.84338 8.022991  97.23489 6.257946  -21.39151      10.17498  
1 1 1 44 11 7  f 36.77252 8.853045  8.662775       6.790127  -9.615773      13.58025  26.94132       13.58025  24.76049 11.48080  48.78455 13.47950  -24.02406      17.70609  
1 1 1 44 11 8  o 56.93951 9.208977  36.88111       7.271393  41.52223       14.54279  32.24000       14.54279  60.89033 12.37221  52.98870 13.64366  7.901627       18.41795  
1 1 1 44 11 9  o 46.40868 9.437449  24.43493       6.942607  13.64697       13.88521  35.22289       13.88521  37.31797 13.90182  55.49939 12.76719  -18.18142      18.87490  
1 1 1 44 11 10 o 51.61921 10.94783  32.67362       8.629418  31.23935       17.25884  34.10788       17.25884  50.49362 15.55961  52.74480 15.40516  -2.251183      21.89567  
1 1 1 44 11 11 o 39.34558 9.759642  12.39377       8.090974  -7.776483      16.18195  32.56403       16.18195  27.33696 12.62055  51.35419 14.89041  -24.01724      19.51928  
1 1 1 44 11 12 o 121.6786 5.576010  160.4805       9.244103  207.0584       18.48821  113.9026       18.48821  140.8183 6.564559  102.5389 9.015216  38.27943       11.15202  
1 1 1 44 12 0  o 24.77650 15.02169  7.109383       13.48496  7.109383       13.48496  7.109383       13.48496  24.77650 15.02169  24.77650 15.02169  0.000000       0.000000  
1 1 1 44 12 1  o 90.63239 3.781301  84.06416       4.769767  101.0085       9.539534  67.11982       9.539534  99.98023 4.770710  81.28455 5.867987  18.69569       7.562602  
1 1 1 44 12 2  o 78.11784 4.728665  62.45488       5.208147  67.94892       10.41630  56.96083       10.41630  81.63435 6.379848  74.60133 6.981307  7.033028       9.457330  
1 1 1 44 12 3  o 87.54150 4.031651  77.95544       4.984192  73.23808       9.968384  82.67278       9.968384  84.84715 5.874319  90.23586 5.523516  -5.388702      8.063302  
1 1 1 44 12 4  o 74.69966 4.386012  57.01801       4.612522  63.14580       9.225043  50.89022       9.225043  78.80128 5.853359  70.59805 6.533498  8.203239       8.772024  
1 1 1 44 12 5  o 60.67386 6.668011  40.17373       5.303447  54.66410       10.60689  25.68336       10.60689  73.00262 7.264736  48.34510 11.18361  24.65752       13.33602  
1 1 1 44 12 6  o 30.58663 8.825193  4.731647       6.103968  1.191251       12.20794  8.272044       12.20794  28.31390 12.11269  32.85936 12.83818  -4.545462      17.65039  
1 1 1 44 12 7  o 48.40930 8.454221  25.32122       6.609057  42.32275       13.21811  8.319694       13.21811  63.23660 10.45132  33.58200 13.29155  29.65461       16.90844  
1 1 1 44 12 8  o 47.16986 9.068440  24.84948       6.871132  39.57811       13.74226  10.12086       13.74226  59.46851 11.97478  34.87120 13.62172  24.59731       18.13688  
1 1 1 44 12 9  o 64.90441 9.122140  47.93592       8.076677  46.34441       16.15335  49.52743       16.15335  63.65730 13.13606  66.15152 12.66087  -2.494221      18.24428  
1 1 1 44 12 10 o 102.0360 5.590963  110.1478       7.948023  130.9232       15.89605  89.37237       15.89605  112.2164 7.082763  91.85555 8.652741  20.36087       11.18193  
1 1 1 44 12 11 o 39.64689 15.09388  16.96341       16.60127  16.96341       16.60127  ?              ?         39.64689 15.09388  ?        ?         ?              ?         
1 1 1 44 12 12 o 43.21798 16.12568  23.11979       18.69787  23.11979       18.69787  ?              ?         43.21798 16.12568  ?        ?         ?              ?         
1 1 1 44 13 0  o 28.53938 16.02875  12.21746       13.65650  12.21746       13.65650  12.21746       13.65650  28.53938 16.02875  28.53938 16.02875  0.000000       0.000000  
1 1 1 44 13 1  o 106.9695 3.590530  116.1422       5.413042  127.0921       10.82608  105.1922       10.82608  112.0877 4.829291  101.8512 5.314657  10.23653       7.181061  
1 1 1 44 13 2  o 133.4052 2.840681  179.7978       5.341567  163.0583       10.68313  196.5373       10.68313  127.1313 4.201616  139.6791 3.824171  -12.54783      5.681361  
1 1 1 44 13 3  o 70.77826 5.150846  51.41437       5.155732  51.19519       10.31146  51.63356       10.31146  70.62342 7.300315  70.93311 7.268443  -0.3096848     10.30169  
1 1 1 44 13 4  o 110.1361 3.420166  123.4469       5.274857  143.1025       10.54971  103.7913       10.54971  119.0594 4.430440  101.2127 5.211653  17.84668       6.840331  
1 1 1 44 13 5  o 69.17065 6.054685  49.86575       5.865717  57.55169       11.73143  42.17980       11.73143  74.72643 7.849588  63.61486 9.220673  11.11158       12.10937  
1 1 1 44 13 6  o 77.93448 5.788543  62.91708       6.370807  59.17180       12.74161  66.66238       12.74161  75.53163 8.434622  80.33732 7.930072  -4.805687      11.57709  
1 1 1 44 13 7  o 28.36113 8.162506  1.091185       5.660822  11.25493       11.32164  -9.072563      11.32164  34.45824 12.59637  22.26403 10.38448  12.19421       16.32501  
1 1 1 44 13 8  o 61.33590 7.418454  40.79318       6.308862  41.39833       12.61772  40.18803       12.61772  62.29214 10.12786  60.37967 10.84252  1.912476       14.83691  
1 1 1 44 13 9  o 61.90096 9.037850  43.85231       7.786013  55.46462       15.57203  32.24000       15.57203  71.61114 10.87263  52.19079 14.44011  19.42035       18.07570  
1 1 1 44 13 10 o 134.9205 4.428885  187.6887       8.443583  196.2514       16.88717  179.1259       16.88717  138.0937 6.114387  131.7472 6.408927  6.346497       8.857769  
1 1 1 44 13 11 f 38.71341 14.89624  15.69592       16.30584  15.69592       16.30584  ?              ?         38.71341 14.89624  ?        ?         ?              ?         
1 1 1 44 13 12 o 29.91085 13.59497  -2.973361      17.76393  -2.973361      17.76393  ?              ?         29.91085 13.59497  ?        ?         ?              ?         
1 1 1 44 14 0  o 19.01124 13.02782  -6.813953      14.98116  -6.813953      14.98116  -6.813953      14.98116  19.01124 13.02782  19.01124 13.02782  0.000000       0.000000  
1 1 1 44 14 1  o 36.45689 8.179248  12.78450       5.270092  22.57658       10.54018  2.992421       10.54018  45.17229 11.60606  27.74150 11.52822  17.43080       16.35850  
1 1 1 44 14 2  o 83.49129 4.616512  72.17072       5.327272  54.95000       10.65454  89.39144       10.65454  73.17841 7.279841  93.80418 5.679142  -20.62576      9.233025  
1 1 1 44 14 3  o 38.21960 8.782651  15.36237       5.508343  12.06498       11.01669  18.65975       11.01669  35.15579 12.46713  41.28340 12.37378  -6.127605      17.56530  
1 1 1 44 14 4  o 107.3230 3.767483  117.0380       5.698943  106.1166       11.39789  127.9594       11.39789  102.2349 5.574362  112.4111 5.069734  -10.17619      7.534966  
1 1 1 44 14 5  o 63.91418 6.727758  45.13410       5.532167  26.54106       11.06433  63.72713       11.06433  48.98877 11.48097  78.83958 7.016992  -29.85081      13.45552  
1 1 1 44 14 6  o 67.11967 7.001091  49.46549       6.127792  31.81115       12.25558  67.11982       12.25558  53.54177 11.76433  80.69759 7.593527  -27.15582      14.00218  
1 1 1 44 14 7  o 111.2724 4.662121  127.3351       7.309513  139.5955       14.61903  115.0748       14.61903  116.7816 6.259133  105.7632 6.911203  11.01832       9.324242  
1 1 1 44 14 8  o 37.39320 9.028749  11.12628       6.790127  -4.831712      13.58025  27.08427       13.58025  26.43037 11.96952  48.35604 13.52050  -21.92566      18.05750  
1 1 1 44 14 9  o 60.72015 7.875557  41.98920       6.451812  27.28440       12.90362  56.69400       12.90362  48.29037 13.05011  73.14993 8.819985  -24.85955      15.75111  
1 1 1 44 14 10 o 115.7507 4.865456  139.4764       7.938493  126.9492       15.87699  152.0036       15.87699  110.3395 7.194610  121.1620 6.551965  -10.82256      9.730912  
1 1 1 44 14 11 o 82.92981 7.087154  76.47353       8.033793  55.79818       16.06759  97.14886       16.06759  70.46425 11.40123  95.39538 8.421576  -24.93113      14.17431  
1 1 1 44 14 12 o 40.61920 15.26365  19.50792       16.81093  19.50792       16.81093  ?              ?         40.61920 15.26365  ?        ?         ?              ?         
1 1 1 44 15 0  o 25.86119 15.85769  7.404812       15.40049  7.404812       15.40049  7.404812       15.40049  25.86119 15.85769  25.86119 15.85769  0.000000       0.000000  
1 1 1 44 15 1  o 144.0034 2.928071  209.4695       5.946723  191.7341       11.89345  227.2048       11.89345  137.8454 4.314052  150.1613 3.960222  -12.31592      5.856142  
1 1 1 44 15 2  o 38.05655 7.230871  10.86897       5.513107  32.51637       11.02621  -10.77843      11.02621  54.80730 10.43470  21.30580 10.01295  33.50150       14.46174  
1 1 1 44 15 3  o 72.67274 5.639320  56.08407       5.508343  36.69051       11.01669  75.47763       11.01669  59.32967 9.284297  86.01582 6.403871  -26.68615      11.27864  
1 1 1 44 15 4  o 93.97824 3.973978  89.95847       5.260562  80.84303       10.52112  99.07392       10.52112  89.12848 5.902224  98.82801 5.322947  -9.699532      7.947956  
1 1 1 44 15 5  o 86.57557 4.680512  77.28833       5.656057  63.28875       11.31211  91.28791       11.31211  78.49039 7.206051  94.66075 5.975082  -16.17036      9.361024  
1 1 1 44 15 6  o 67.54672 5.946556  47.43083       5.679882  48.19323       11.35976  46.66843       11.35976  68.11108 8.339146  66.98238 8.479667  1.128700       11.89311  
1 1 1 44 15 7  o 88.46902 5.132972  81.22898       6.380337  91.54522       12.76067  70.91276       12.76067  94.29944 6.766040  82.63860 7.720772  11.66084       10.26594  
1 1 1 44 15 8  o 105.6771 5.096517  116.1755       7.542998  98.19716       15.08600  134.1539       15.08600  97.17085 7.762614  114.1834 6.606039  -17.01253      10.19303  
1 1 1 44 15 9  o 63.25648 7.855098  44.63854       6.818718  50.91881       13.63744  38.35827       13.63744  68.73009 9.921007  57.78288 12.18129  10.94722       15.71020  
1 1 1 44 15 10 o 27.13997 8.654078  -6.213562      7.342868  -16.86811      14.68574  4.440981       14.68574  22.97637 11.03409  31.30357 13.33496  -8.327196      17.30816  
1 1 1 44 15 11 f 75.11031 9.261797  67.83457       9.382290  85.40789       18.76458  50.26124       18.76458  87.34314 10.74187  62.87748 15.09091  24.46566       18.52359  
1 1 1 44 16 0  o 42.88506 17.89632  27.36064       15.26707  27.36064       15.26707  27.36064       15.26707  42.88506 17.89632  42.88506 17.89632  0.000000       0.000000  
1 1 1 44 16 1  o 51.54133 7.648764  28.99027       5.513107  37.33855       11.02621  20.64199       11.02621  59.87454 9.207766  43.20811 12.21603  16.66642       15.29753  
1 1 1 44 16 2  o 61.65077 6.872425  41.06479       5.665587  29.69549       11.33117  52.43408       11.33117  51.99714 11.21552  71.30440 7.945635  -19.30725      13.74485  
1 1 1 44 16 3  o 83.09911 4.584538  70.55538       5.384452  73.34290       10.76890  67.76785       10.76890  84.77634 6.351362  81.42188 6.613028  3.354462       9.169075  
1 1 1 44 16 4  o 101.1323 3.937273  104.1439       5.613173  94.69012       11.22635  113.5977       11.22635  96.45834 5.819272  105.8063 5.305143  -9.347916      7.874545  
1 1 1 44 16 5  o 26.44970 7.949811  -2.415856      5.675117  8.119563       11.35023  -12.95128      11.35023  32.02258 12.40604  20.87682 9.944250  11.14576       15.89962  
1 1 1 44 16 6  o 32.80648 7.015541  -2.496862      5.646527  27.73231       11.29305  -32.72603      11.29305  49.79127 11.55377  15.82168 7.961263  33.96959       14.03108  
1 1 1 44 16 7  o 101.2959 4.138103  105.3447       5.889543  91.83112       11.77909  118.8582       11.77909  94.62562 6.224046  107.9663 5.454984  -13.34065      8.276207  
1 1 1 44 16 8  o 32.64164 9.098182  7.028378       6.513757  14.91446       13.02751  -0.8577003     13.02751  37.68959 13.53797  27.59369 12.15858  10.09590       18.19636  
1 1 1 44 16 9  o 57.42425 9.320090  38.73947       7.447698  44.97209       14.89540  32.50684       14.89540  62.66543 12.32395  52.18307 13.98487  10.48236       18.64018  
1 1 1 44 16 10 o 68.11183 7.599801  51.23807       7.314278  49.03187       14.62856  53.44426       14.62856  66.49229 11.00019  69.73138 10.48922  -3.239082      15.19960  
1 1 1 44 16 11 o 69.62853 8.398236  57.50404       7.752658  37.58633       15.50532  77.42175       15.50532  54.90789 14.05860  84.34917 9.191149  -29.44128      16.79647  
1 1 1 44 16 12 o 36.16943 13.83762  15.81028       14.00911  15.81028       14.00911  ?              ?         36.16943 13.83762  ?        ?         ?              ?         
1 1 1 44 17 0  o 77.80093 10.09016  63.06004       15.70545  63.06004       15.70545  63.06004       15.70545  77.80093 10.09016  77.80093 10.09016  0.000000       0.000000  
1 1 1 44 17 1  o 23.44602 7.520363  -9.353699      5.779948  -20.49904      11.55990  1.791641       11.55990  18.88392 9.227691  28.00812 11.87742  -9.124199      15.04073  
1 1 1 44 17 2  f 81.92196 4.812145  68.85428       5.555993  62.43106       11.11199  75.27750       11.11199  78.00163 7.122919  85.84229 6.472326  -7.840668      9.624290  
1 1 1 44 17 3  o 41.19075 8.639729  18.58351       5.498813  23.11979       10.99763  14.04722       10.99763  45.57207 11.92774  36.80943 12.50235  8.762650       17.27946  
1 1 1 44 17 4  o 141.8424 3.241553  203.7086       6.489933  218.1037       12.97987  189.3135       12.97987  146.9167 4.417423  136.7681 4.745211  10.14865       6.483105  
1 1 1 44 17 5  o 46.82568 8.717720  24.51594       6.332687  11.79815       12.66537  37.23373       12.66537  35.57215 13.27203  58.07920 11.30698  -22.50706      17.43544  
1 1 1 44 17 6  o 64.42760 6.827069  44.09056       6.204032  40.60735       12.40806  47.57378       12.40806  61.72439 10.05118  67.13080 9.241708  -5.406406      13.65414  
1 1 1 44 17 7  o 82.70918 5.712302  71.37497       6.680532  69.96929       13.36106  72.78065       13.36106  81.85941 8.160984  83.55894 7.994994  -1.699539      11.42460  
1 1 1 44 17 8  o 37.62752 9.789585  14.54755       6.942607  10.46395       13.88521  18.63116       13.88521  34.64394 13.65092  40.61110 14.03554  -5.967159      19.57917  
1 1 1 44 17 9  o 61.11202 8.900774  43.88090       7.581119  29.40959       15.16224  58.35221       15.16224  49.13048 14.46793  73.09357 10.37180  -23.96309      17.80155  
1 1 1 44 17 10 o 43.92285 14.58269  23.59629       14.96210  23.59629       14.96210  ?              ?         43.92285 14.58269  ?        ?         ?              ?         
1 1 1 44 17 11 o 51.42812 14.32137  33.34548       15.26707  33.34548       15.26707  ?              ?         51.42812 14.32137  ?        ?         ?              ?         
1 1 1 44 18 0  o 101.9544 9.003986  108.4991       18.08795  108.4991       18.08795  108.4991       18.08795  101.9544 9.003986  101.9544 9.003986  0.000000       0.000000  
1 1 1 44 18 1  o 105.2619 3.796652  113.0783       5.603642  96.34834       11.20728  129.8082       11.20728  97.31508 5.758247  113.2087 4.949834  -15.89362      7.593304  
1 1 1 44 18 2  o 37.74489 8.887465  15.01928       5.565523  13.59931       11.13105  16.43926       11.13105  36.44639 12.56952  39.04339 12.56802  -2.597000      17.77493  
1 1 1 44 18 3  o 31.99490 8.653970  8.210097       5.532167  11.12151       11.06433  5.298682       11.06433  34.24916 12.45900  29.74064 12.01408  4.508518       17.30794  
1 1 1 44 18 4  o 84.56290 5.141759  74.35309       6.056317  59.97231       12.11263  88.73387       12.11263  76.05989 7.962564  93.06590 6.507558  -17.00601      10.28352  
1 1 1 44 18 5  o 52.38750 8.715647  31.13929       6.356512  31.70633       12.71302  30.57225       12.71302  52.91232 12.24601  51.86269 12.40505  1.049629       17.43129  
1 1 1 44 18 6  o 38.11259 9.469931  14.75245       6.528053  20.98507       13.05611  8.519823       13.05611  42.98318 13.58894  33.24200 13.19315  9.741180       18.93986  
1 1 1 44 18 7  o 41.00286 9.305980  18.02600       6.656708  28.78061       13.31342  7.271393       13.31342  49.63590 13.18483  32.36982 13.13641  17.26609       18.61196  
1 1 1 44 18 8  o 56.44225 9.088297  37.11937       7.104619  33.55514       14.20924  40.68359       14.20924  53.37597 13.33500  59.50852 12.35177  -6.132549      18.17659  
1 1 1 44 18 9  o 32.05385 9.348860  4.574402       7.299983  -5.432102      14.59997  14.58090       14.59997  26.70426 12.18777  37.40343 14.17967  -10.69917      18.69772  
1 1 1 44 18 10 o 28.30743 12.68459  -1.286550      14.86681  -1.286550      14.86681  ?              ?         28.30743 12.68459  ?        ?         ?              ?         
1 1 1 44 18 11 o 91.89247 6.473655  93.09384       8.338754  80.12827       16.67751  106.0594       16.67751  84.83772 9.829063  98.94723 8.427476  -14.10950      12.94731  
1 1 1 44 19 0  o 32.89598 18.24728  17.05871       17.40179  17.05871       17.40179  17.05871       17.40179  32.89598 18.24728  32.89598 18.24728  0.000000       0.000000  
1 1 1 44 19 1  o 101.3074 4.292793  105.2684       6.094438  121.2693       12.18888  89.26755       12.18888  109.2046 5.580750  93.41026 6.524377  15.79436       8.585586  
1 1 1 44 19 2  o 65.81506 6.680896  45.46764       6.218328  45.59154       12.43666  45.34376       12.43666  65.90917 9.434692  65.72094 9.461715  0.1882324      13.36179  
1 1 1 44 19 3  o 63.03142 7.333462  44.35740       6.065848  27.05568       12.13170  61.65912       12.13170  48.93396 12.38012  77.12887 7.864562  -28.19490      14.66692  
1 1 1 44 19 4  o 24.44034 7.835764  -7.771718      6.132557  -17.13495      12.26511  1.591511       12.26511  20.55209 9.921824  28.32859 12.13071  -7.776499      15.67153  
1 1 1 44 19 5  o 39.07108 9.028707  15.46720       6.289802  26.00738       12.57960  4.927012       12.57960  47.58756 12.89646  30.55460 12.63928  17.03296       18.05741  
1 1 1 44 19 6  o 76.81581 6.163567  62.42152       6.628118  52.71999       13.25624  72.12307       13.25624  70.50101 9.401452  83.13062 7.973136  -12.62962      12.32713  
1 1 1 44 19 7  o 86.02757 6.017449  78.26516       7.319043  80.19498       14.63809  76.33533       14.63809  87.14920 8.398292  84.90593 8.620179  2.243271       12.03490  
1 1 1 44 19 8  o 37.31181 8.862215  7.943258       7.276158  -16.04853      14.55232  31.93504       14.55232  23.13715 11.08036  51.48646 13.83405  -28.34931      17.72443  
1 1 1 44 19 9  f 59.90382 8.789269  42.40852       7.352398  28.91403       14.70480  55.90300       14.70480  48.49010 14.23804  71.31754 10.30938  -22.82743      17.57854  
1 1 1 44 19 10 o 81.30212 7.695963  75.75401       8.286338  54.90235       16.57268  96.60565       16.57268  68.01435 12.65579  94.58990 8.760278  -26.57555      15.39193  
1 1 1 44 20 0  o 75.75214 10.56857  60.91579       15.63874  60.91579       15.63874  60.91579       15.63874  75.75214 10.56857  75.75214 10.56857  0.000000       0.000000  
1 1 1 44 20 1  o 53.98447 7.934605  33.29307       6.570938  8.071913       13.14188  58.51423       13.14188  33.18039 13.21506  74.78856 8.786019  -41.60817      15.86921  
1 1 1 44 20 2  o 42.45173 9.235009  20.19408       6.146852  16.70610       12.29370  23.68206       12.29370  39.29060 13.21853  45.61285 12.90008  -6.322254      18.47002  
1 1 1 44 20 3  o 66.56647 6.874106  48.15988       6.142087  59.85795       12.28417  36.46180       12.28417  75.77406 8.105791  57.35888 11.10448  18.41518       13.74821  
1 1 1 44 20 4  o 90.81693 5.382146  87.43302       6.661473  113.2831       13.32295  61.58288       13.32295  105.0489 6.341305  76.58492 8.698152  28.46400       10.76429  
1 1 1 44 20 5  o 27.27414 8.347756  -8.843843      6.880662  10.64501       13.76132  -28.33270      13.76132  35.07969 13.64590  19.46859 9.619228  15.61110       16.69551  
1 1 1 44 20 6  o 103.3741 5.082616  111.5439       7.390518  124.3475       14.78104  98.74036       14.78104  109.5670 6.745207  97.18130 7.604877  12.38566       10.16523  
1 1 1 44 20 7  o 85.25601 5.995030  77.61712       7.085558  60.87766       14.17112  94.35657       14.17112  75.43884 9.392453  95.07317 7.452741  -19.63433      11.99006  
1 1 1 44 20 8  o 72.52428 7.888156  59.63400       7.685949  45.85838       15.37190  73.40962       15.37190  62.53170 12.73319  82.51686 9.314397  -19.98516      15.77631  
1 1 1 44 20 9  o 57.54111 8.286076  40.51205       7.662123  74.25779       15.32425  6.766303       15.32425  82.55187 9.281587  32.53036 13.72911  50.02151       16.57215  
1 1 1 44 20 10 o 54.23713 9.470397  36.80487       7.481052  48.83174       14.96210  24.77801       14.96210  64.25291 12.08712  44.22135 14.58270  20.03157       18.94079  
1 1 1 44 21 0  o 112.6501 8.208621  131.6284       18.29761  131.6284       18.29761  131.6284       18.29761  112.6501 8.208621  112.6501 8.208621  0.000000       0.000000  
1 1 1 44 21 1  o 110.7673 4.173515  125.4863       6.537583  126.5108       13.07517  124.4618       13.07517  111.2297 5.877549  110.3048 5.926832  0.9248962      8.347031  
1 1 1 44 21 2  o 40.43519 8.728071  17.13971       6.075377  5.498813       12.15075  28.78061       12.15075  30.55216 12.49884  50.31821 12.18589  -19.76605      17.45614  
1 1 1 44 21 3  o 83.25565 5.844834  72.44232       6.880662  70.99853       13.76132  73.88612       13.76132  82.38857 8.351478  84.12274 8.179314  -1.734177      11.68967  
1 1 1 44 21 4  o 134.1995 3.896631  183.7861       7.395282  184.0148       14.79056  183.5574       14.79056  134.2847 5.507167  134.1143 5.514166  0.1704254      7.793261  
1 1 1 44 21 5  o 99.05905 5.130826  103.1480       7.061733  124.4428       14.12347  81.85320       14.12347  109.8076 6.431006  88.31052 7.996480  21.49706       10.26165  
1 1 1 44 21 6  o 57.14479 9.356326  38.34397       7.433403  33.52655       14.86681  43.16138       14.86681  53.08223 13.85641  61.20735 12.57630  -8.125118      18.71265  
1 1 1 44 21 7  o 41.86926 9.501240  18.24043       7.423873  1.610571       14.84775  34.87029       14.84775  30.02101 13.10633  53.71751 13.75930  -23.69651      19.00248  
1 1 1 44 21 8  o 37.78143 9.937681  15.56726       7.090323  15.98182       14.18065  15.15271       14.18065  38.07866 14.07599  37.48421 14.03199  0.5944557      19.87536  
1 1 1 44 21 9  o 21.22711 10.30643  -19.17437      13.78991  -19.17437      13.78991  ?              ?         21.22711 10.30643  ?        ?         ?              ?         
1 1 1 44 21 10 o 86.90522 6.630620  84.89328       8.119563  77.45034       16.23913  92.33621       16.23913  82.62301 9.827242  91.18743 8.904257  -8.564423      13.26124  
1 1 1 44 22 0  o 30.27950 17.69980  13.70415       17.54474  13.70415       17.54474  13.70415       17.54474  30.27950 17.69980  30.27950 17.69980  0.000000       0.000000  
1 1 1 44 22 1  f 72.94734 6.137315  55.89346       6.323157  52.74857       12.64631  59.03837       12.64631  70.79175 8.932055  75.10294 8.419321  -4.311195      12.27463  
1 1 1 44 22 2  o 63.32208 7.751552  44.34311       6.661473  34.44143       13.32295  54.24479       13.32295  55.02230 12.40321  71.62186 9.300895  -16.59955      15.50310  
1 1 1 44 22 3  o 147.4554 3.526729  221.2724       7.352398  227.1476       14.70480  215.3971       14.70480  149.4477 4.919714  145.4632 5.054471  3.984421       7.053458  
1 1 1 44 22 4  o 40.34898 8.946414  15.92940       6.752007  -0.4860302     13.50401  32.34483       13.50401  28.10819 12.38293  52.58978 12.91574  -24.48159      17.89283  
1 1 1 44 22 5  o 65.73034 7.975235  53.40615       7.171328  93.46075       14.34266  13.35154       14.34266  94.57875 7.582388  36.88193 14.03299  57.69682       15.95047  
1 1 1 44 22 6  o 47.83396 9.415855  27.17480       7.014082  15.90558       14.02816  38.44404       14.02816  38.31298 14.01984  57.35494 12.57289  -19.04195      18.83171  
1 1 1 44 22 7  o 62.83132 8.547875  45.42953       7.419108  51.71933       14.83822  39.13973       14.83822  68.36157 10.85275  57.30107 13.20919  11.06050       17.09575  
1 1 1 44 22 8  o 80.81916 7.347018  72.98077       8.319694  62.70742       16.63939  83.25410       16.63939  74.46340 11.17286  87.17492 9.543678  -12.71152      14.69404  
1 1 1 44 22 9  o 25.81127 12.07576  -8.748544      15.45767  -8.748544      15.45767  ?              ?         25.81127 12.07576  ?        ?         ?              ?         
1 1 1 44 23 0  f 30.65591 18.17179  13.98051       18.91706  13.98051       18.91706  13.98051       18.91706  30.65591 18.17179  30.65591 18.17179  0.000000       0.000000  
1 1 1 44 23 1  o 52.82961 9.101350  32.47825       6.794893  38.32014       13.58979  26.63636       13.58979  58.00925 12.10885  47.64996 13.59095  10.35929       18.20270  
1 1 1 44 23 2  o 28.46294 8.781056  -2.044186      6.999787  -11.35023      13.99957  7.261863       13.99957  24.15502 11.33677  32.77085 13.41288  -8.615828      17.56211  
1 1 1 44 23 3  o 88.33031 5.732263  84.98857       6.704357  117.5526       13.40871  52.42455       13.40871  106.7634 6.279640  69.89721 9.591739  36.86620       11.46453  
1 1 1 44 23 4  o 35.31305 8.619236  8.577003       6.408928  25.54041       12.81786  -8.386403      12.81786  46.65763 13.16471  23.96846 11.12903  22.68917       17.23847  
1 1 1 44 23 5  o 31.89976 9.033817  3.521337       6.980727  -10.47347      13.96145  17.51615       13.96145  24.27600 11.38054  39.52351 14.03292  -15.24751      18.06763  
1 1 1 44 23 6  o 45.90215 8.838175  21.96189       7.571588  47.17352       15.14318  -3.249731      15.14318  63.74250 12.31801  28.06181 12.67754  35.68070       17.67635  
1 1 1 44 23 7  o 51.35976 14.33944  33.10723       15.28613  33.10723       15.28613  ?              ?         51.35976 14.33944  ?        ?         ?              ?         
1 1 1 44 23 8  o 26.80055 12.43173  -7.566823      15.94370  -7.566823      15.94370  ?              ?         26.80055 12.43173  ?        ?         ?              ?         
1 1 1 44 23 9  o 60.37046 8.933418  48.38383       8.291104  79.69942       16.58221  17.06824       16.58221  83.43632 9.937044  37.30460 14.84853  46.13171       17.86684  
1 1 1 44 24 0  o 37.04649 19.32118  23.47240       18.48821  23.47240       18.48821  23.47240       18.48821  37.04649 19.32118  37.04649 19.32118  0.000000       0.000000  
1 1 1 44 24 1  o 107.5500 4.748116  120.5784       7.137973  100.1794       14.27595  140.9774       14.27595  98.06651 7.278707  117.0335 6.099087  -18.96697      9.496232  
1 1 1 44 24 2  o 55.29775 9.579863  36.12825       7.442933  35.87093       14.88587  36.38555       14.88587  55.07768 13.58127  55.51783 13.51459  -0.4401512     19.15973  
1 1 1 44 24 3  o 29.78369 9.124166  1.758286       7.090323  0.9434704      14.18065  2.573101       14.18065  29.37562 12.81668  30.19176 12.98977  -0.8161354     18.24833  
1 1 1 44 24 4  o 27.11959 8.686652  -3.850122      7.157033  -3.974012      14.31407  -3.726231      14.31407  27.06721 12.27166  27.17198 12.29788  -0.1047649     17.37330  
1 1 1 44 24 5  o 74.81752 7.356239  61.71631       7.700243  71.18913       15.40049  52.24348       15.40049  81.14815 9.489119  68.48690 11.24338  12.66125       14.71248  
1 1 1 44 24 6  o 84.07614 6.750987  77.60282       7.914669  63.90820       15.82934  91.29744       15.82934  75.93197 10.42337  92.22032 8.582348  -16.28835      13.50197  
1 1 1 44 24 7  o 107.2304 5.972402  123.8472       9.005854  137.9659       18.01171  109.7285       18.01171  113.8138 7.912800  100.6471 8.947956  13.16669       11.94480  
1 1 1 44 24 8  o 48.73836 14.79688  31.32512       15.68639  31.32512       15.68639  ?              ?         48.73836 14.79688  ?        ?         ?              ?         
1 1 1 44 25 0  f 92.46753 10.77058  92.83176       19.46027  92.83176       19.46027  92.83176       19.46027  92.46753 10.77058  92.46753 10.77058  0.000000       0.000000  
1 1 1 44 25 1  o 34.96439 9.485352  9.634833       7.061733  19.71758       14.12347  -0.4479102     14.12347  41.35677 14.16812  28.57202 12.61555  12.78474       18.97070  
1 1 1 44 25 2  o 54.86351 8.639016  35.52309       6.980727  18.51680       13.96145  52.52938       13.96145  40.23516 14.05776  69.49185 10.04539  -29.25669      17.27803  
1 1 1 44 25 3  o 32.26965 9.423800  4.002601       7.509643  -7.614474      15.01929  15.61968       15.01929  26.26538 12.13836  38.27392 14.41847  -12.00854      18.84760  
1 1 1 44 25 4  o 38.13860 14.60547  15.18130       15.61968  15.18130       15.61968  ?              ?         38.13860 14.60547  ?        ?         ?              ?         
1 1 1 44 25 5  o 56.87617 10.17605  40.56446       8.314929  48.84127       16.62986  32.28765       16.62986  63.50875 13.49831  50.24358 15.23168  13.26517       20.35211  
1 1 1 44 25 6  f 47.66814 15.44087  29.29523       16.78234  29.29523       16.78234  ?              ?         47.66814 15.44087  ?        ?         ?              ?         
1 1 1 44 25 7  o 30.52445 13.61157  0.7909903      16.93482  0.7909903      16.93482  ?              ?         30.52445 13.61157  ?        ?         ?              ?         
1 1 1 44 26 0  o 23.05608 15.68860  -4.860302      21.05178  -4.860302      21.05178  -4.860302      21.05178  23.05608 15.68860  23.05608 15.68860  0.000000       0.000000  
1 1 1 44 26 1  o 117.8972 4.710437  144.6607       7.843193  153.0042       15.68639  136.3172       15.68639  121.4357 6.458722  114.3588 6.858410  7.076935       9.420875  
1 1 1 44 26 2  o 25.37001 8.162733  -11.93157      7.042673  -29.26664      14.08535  5.403512       14.08535  19.37679 9.611952  31.36325 13.19588  -11.98646      16.32547  
1 1 1 44 26 3  o 77.93968 6.831346  66.19540       7.509643  71.32255       15.01929  61.06826       15.01929  81.22886 9.245044  74.65050 10.05974  6.578362       13.66269  
1 1 1 44 26 4  o 88.40108 6.417865  84.89804       8.005203  90.99248       16.01041  78.80360       16.01041  91.84812 8.715697  84.95404 9.422981  6.894081       12.83573  
1 1 1 44 26 5  o 50.90711 15.67789  33.84104       17.52568  33.84104       17.52568  ?              ?         50.90711 15.67789  ?        ?         ?              ?         
1 1 1 44 26 6  o 47.62245 15.74395  29.93374       17.43991  29.93374       17.43991  ?              ?         47.62245 15.74395  ?        ?         ?              ?         
1 1 1 44 26 7  o 54.97770 14.77145  42.23698       16.59174  42.23698       16.59174  ?              ?         54.97770 14.77145  ?        ?         ?              ?         
1 1 1 44 27 0  o 90.14009 12.17623  91.26884       21.32815  91.26884       21.32815  91.26884       21.32815  90.14009 12.17623  90.14009 12.17623  0.000000       0.000000  
1 1 1 44 27 1  o 54.68240 9.099225  35.98053       6.933078  33.06911       13.86616  38.89194       13.86616  52.13137 13.26340  57.23343 12.46057  -5.102062      18.19845  
1 1 1 44 27 2  o 42.12988 14.48885  21.71888       14.78104  21.71888       14.78104  ?              ?         42.12988 14.48885  ?        ?         ?              ?         
1 1 1 44 27 3  o 35.89189 14.39272  12.38900       15.71498  12.38900       15.71498  ?              ?         35.89189 14.39272  ?        ?         ?              ?         
1 1 1 44 27 4  o 41.72108 14.74181  21.19473       15.39096  21.19473       15.39096  ?              ?         41.72108 14.74181  ?        ?         ?              ?         
1 1 1 44 27 5  o 111.7167 5.768704  135.9074       8.877199  168.9288       17.75440  102.8859       17.75440  126.4958 7.017783  96.93755 9.157647  29.55822       11.53741  
1 1 1 44 28 1  f 26.29653 11.98437  -4.374272      14.00911  -4.374272      14.00911  ?              ?         26.29653 11.98437  ?        ?         ?              ?         
1 1 1 44 28 2  o 80.58850 6.564058  70.82223       7.471523  67.04358       14.94305  74.60087       14.94305  78.24410 9.548992  82.93291 9.009117  -4.688805      13.12812  
1 1 1 44 28 3  o 23.22768 11.21358  -18.31667      15.66733  -18.31667      15.66733  ?              ?         23.22768 11.21358  ?        ?         ?              ?         
1 1 1 44 28 4  o 37.04984 14.27732  15.70545       14.99070  15.70545       14.99070  ?              ?         37.04984 14.27732  ?        ?         ?              ?         
1 1 1 44 29 1  o 34.70155 14.12169  11.38835       15.42908  11.38835       15.42908  ?              ?         34.70155 14.12169  ?        ?         ?              ?         
1 1 1 44 29 2  o 30.94958 13.75500  2.487331       17.16354  2.487331       17.16354  ?              ?         30.94958 13.75500  ?        ?         ?              ?         
1 1 1 44 29 3  o 55.80498 14.27070  41.91296       15.99135  41.91296       15.99135  ?              ?         55.80498 14.27070  ?        ?         ?              ?         
1 1 1 45 0  1  o 130.0488 5.439645  170.9683       14.09487  170.9683       14.09487  170.9683       14.09487  130.0488 5.439645  130.0488 5.439645  0.000000       0.000000  
1 1 1 45 0  2  o 127.2602 5.151730  163.5920       13.06564  163.5920       13.06564  163.5920       13.06564  127.2602 5.151730  127.2602 5.151730  0.000000       0.000000  
1 1 1 45 0  3  o 140.8870 5.108170  200.3683       14.35219  200.3683       14.35219  200.3683       14.35219  140.8870 5.108170  140.8870 5.108170  0.000000       0.000000  
1 1 1 45 0  4  o 28.51119 17.31483  9.863553       17.98312  9.863553       17.98312  9.863553       17.98312  28.51119 17.31483  28.51119 17.31483  0.000000       0.000000  
1 1 1 45 0  5  o 114.8014 8.356681  136.1361       18.98377  136.1361       18.98377  136.1361       18.98377  114.8014 8.356681  114.8014 8.356681  0.000000       0.000000  
1 1 1 45 0  6  o 29.02478 17.50304  10.70220       18.08795  10.70220       18.08795  10.70220       18.08795  29.02478 17.50304  29.02478 17.50304  0.000000       0.000000  
1 1 1 45 0  7  o 206.1409 5.944601  429.8223       24.46352  429.8223       24.46352  429.8223       24.46352  206.1409 5.944601  206.1409 5.944601  0.000000       0.000000  
1 1 1 45 0  8  o 76.48400 15.04893  67.53914       20.51810  67.53914       20.51810  67.53914       20.51810  76.48400 15.04893  76.48400 15.04893  0.000000       0.000000  
1 1 1 45 0  9  o 23.70725 15.85559  -2.372971      19.99395  -2.372971      19.99395  -2.372971      19.99395  23.70725 15.85559  23.70725 15.85559  0.000000       0.000000  
1 1 1 45 0  10 o 44.79526 20.67294  32.88805       20.24173  32.88805       20.24173  32.88805       20.24173  44.79526 20.67294  44.79526 20.67294  0.000000       0.000000  
1 1 1 45 0  12 o 128.3577 8.384993  172.1500       21.33768  172.1500       21.33768  172.1500       21.33768  128.3577 8.384993  128.3577 8.384993  0.000000       0.000000  
1 1 1 45 1  0  o 26.36698 14.80451  10.10180       11.64566  10.10180       11.64566  10.10180       11.64566  26.36698 14.80451  26.36698 14.80451  0.000000       0.000000  
1 1 1 45 1  1  o 81.76169 3.870059  67.67256       4.469572  63.90820       8.939144  71.43691       8.939144  79.45966 5.624957  84.06371 5.316886  -4.604050      7.740118  
1 1 1 45 1  2  o 99.23006 3.431863  99.62189       4.798357  109.3663       9.596713  89.87746       9.596713  104.1401 4.607598  94.32005 5.087314  9.820038       6.863725  
1 1 1 45 1  3  o 111.2016 2.872922  124.7144       4.507692  115.0462       9.015384  134.3826       9.015384  106.8545 4.218533  115.5488 3.901116  -8.694290      5.745844  
1 1 1 45 1  4  o 74.93190 5.934969  60.02949       5.927662  82.26299       11.85532  37.79600       11.85532  89.76771 6.603335  60.09610 9.863640  29.67161       11.86994  
1 1 1 45 1  5  o 36.91184 9.279025  12.78450       6.308862  6.489933       12.61772  19.07907       12.61772  31.98781 12.86776  41.83587 13.37243  -9.848061      18.55805  
1 1 1 45 1  6  o 83.88100 5.460156  72.40897       6.475638  74.16249       12.95128  70.65545       12.95128  84.92625 7.625013  82.83575 7.817442  2.090492       10.92031  
1 1 1 45 1  7  o 121.0338 4.293872  149.6401       7.319043  134.1729       14.63809  165.1073       14.63809  114.6442 6.384139  127.4234 5.743876  -12.77924      8.587744  
1 1 1 45 1  8  o 50.56958 8.596787  28.25646       6.728183  12.38900       13.45637  44.12392       13.45637  36.58619 13.67427  64.55297 10.42273  -27.96679      17.19357  
1 1 1 45 1  9  f 44.10851 9.809147  21.34721       7.304748  10.51159       14.60950  32.18282       14.60950  35.58477 14.00851  52.63226 13.73459  -17.04749      19.61829  
1 1 1 45 1  10 o 87.15558 6.256934  81.28618       7.500113  101.9615       15.00023  60.61082       15.00023  99.01675 7.574590  75.29440 9.961049  23.72235       12.51387  
1 1 1 45 1  11 f 59.80212 9.326446  41.87007       7.919433  29.78126       15.83887  53.95889       15.83887  49.60005 14.83074  70.00419 11.31280  -20.40414      18.65289  
1 1 1 45 1  12 o 90.79021 7.964823  92.18373       10.22569  93.43216       20.45139  90.93530       20.45139  91.47775 11.17834  90.10268 11.34894  1.375076       15.92965  
1 1 1 45 2  0  o 64.48322 11.49227  45.88697       13.50401  45.88697       13.50401  45.88697       13.50401  64.48322 11.49227  64.48322 11.49227  0.000000       0.000000  
1 1 1 45 2  1  o 33.04438 7.620771  10.08751       4.460042  2.839941       8.920084  17.33508       8.920084  26.04423 10.69095  40.04453 10.86316  -14.00030      15.24154  
1 1 1 45 2  2  o 86.59946 3.651379  75.82072       4.469572  73.05701       8.939144  78.58440       8.939144  85.00378 5.258086  88.19514 5.067821  -3.191368      7.302758  
1 1 1 45 2  3  o 79.55006 3.712209  64.05592       4.174142  66.38600       8.348284  61.72583       8.348284  81.01460 5.152332  78.08553 5.345602  2.929077       7.424418  
1 1 1 45 2  4  o 54.51458 7.675908  32.89757       5.779948  19.66993       11.55990  46.12521       11.55990  42.31174 12.67379  66.71741 8.663327  -24.40567      15.35182  
1 1 1 45 2  5  o 37.46846 8.891799  13.15617       6.070612  3.325971       12.14122  22.98637       12.14122  29.54449 12.33109  45.39243 12.81407  -15.84794      17.78360  
1 1 1 45 2  6  o 33.25729 8.737582  5.894307       6.294568  -7.299983      12.58914  19.08860       12.58914  24.62595 11.27169  41.88864 13.35404  -17.26269      17.47516  
1 1 1 45 2  7  o 49.43821 8.269478  26.32664       6.694828  5.918132       13.38966  46.73514       13.38966  32.21698 13.14034  66.65943 10.04333  -34.44245      16.53896  
1 1 1 45 2  8  o 42.36714 9.735032  18.52633       7.204682  29.44771       14.40936  7.604944       14.40936  50.77671 13.82126  33.95757 13.71336  16.81914       19.47006  
1 1 1 45 2  9  o 58.37588 8.175452  40.00219       6.985494  67.74880       13.97099  12.25558       13.97099  80.36111 8.692629  36.39065 13.84884  43.97047       16.35090  
1 1 1 45 2  10 o 46.11444 8.788423  22.29068       7.218978  0.2477801      14.43796  44.33358       14.43796  29.49835 12.90077  62.73053 11.93799  -33.23217      17.57685  
1 1 1 45 2  11 o 43.97690 9.287047  18.09748       7.971848  -6.585233      15.94370  42.78019       15.94370  27.73143 12.68967  60.22236 13.56353  -32.49093      18.57409  
1 1 1 45 2  12 o 82.11496 8.897167  79.16575       9.692014  101.4183       19.38403  56.91319       19.38403  96.22060 10.07270  68.00932 14.66898  28.21129       17.79433  
1 1 1 45 3  0  o 129.7724 5.102594  170.0343       13.19905  170.0343       13.19905  170.0343       13.19905  129.7724 5.102594  129.7724 5.102594  0.000000       0.000000  
1 1 1 45 3  1  o 42.48798 7.372517  19.62228       4.541047  12.43666       9.082094  26.80790       9.082094  34.80455 11.36148  50.17142 9.398556  -15.36688      14.74503  
1 1 1 45 3  2  o 31.93700 7.877713  9.768255       4.388567  8.758074       8.777133  10.77843       8.777133  30.94118 11.11236  32.93282 11.16911  -1.991638      15.75543  
1 1 1 45 3  3  f 32.52790 7.611031  10.62595       4.131257  13.14188       8.262513  8.110033       8.262513  35.17963 10.75071  29.87618 10.77652  5.303450       15.22206  
1 1 1 45 3  4  o 107.4719 3.721362  117.5049       5.622702  132.0001       11.24540  103.0098       11.24540  114.2156 4.922887  100.7282 5.582055  13.48737       7.442725  
1 1 1 45 3  5  o 95.18253 4.535215  92.67928       6.080142  83.27317       12.16028  102.0854       12.16028  90.24143 6.737640  100.1236 6.072636  -9.882179      9.070430  
1 1 1 45 3  6  o 83.33559 5.312280  71.51791       6.237388  64.58484       12.47478  78.45100       12.47478  79.17586 7.877891  87.49533 7.128823  -8.319473      10.62456  
1 1 1 45 3  7  o 109.5202 4.447965  122.4892       6.880662  115.5799       13.76132  129.3984       13.76132  106.3659 6.468861  112.6746 6.106669  -6.308662      8.895930  
1 1 1 45 3  8  o 95.65179 5.329311  95.04749       7.118913  111.7965       14.23783  78.29851       14.23783  104.4070 6.818426  86.89661 8.192393  17.51037       10.65862  
1 1 1 45 3  9  o 81.19336 6.144718  69.29742       7.033143  75.38232       14.06629  63.21251       14.06629  84.94054 8.280079  77.44619 9.081328  7.494347       12.28944  
1 1 1 45 3  10 o 82.69800 6.771066  73.76224       7.733598  90.92577       15.46720  56.59870       15.46720  93.07524 8.308975  72.32076 10.69347  20.75448       13.54213  
1 1 1 45 3  11 o 41.10913 15.40029  18.31667       17.08730  18.31667       17.08730  ?              ?         41.10913 15.40029  ?        ?         ?              ?         
1 1 1 45 3  12 o 56.64140 15.65064  41.05525       18.30714  41.05525       18.30714  ?              ?         56.64140 15.65064  ?        ?         ?              ?         
1 1 1 45 4  0  o 158.8329 5.516580  254.6989       17.47803  254.6989       17.47803  254.6989       17.47803  158.8329 5.516580  158.8329 5.516580  0.000000       0.000000  
1 1 1 45 4  1  o 56.33377 6.095378  34.27943       4.488632  21.66170       8.977263  46.89715       8.977263  44.77655 10.24218  67.89100 6.611527  -23.11445      12.19076  
1 1 1 45 4  2  o 180.5037 2.303731  327.6320       5.870482  305.3890       11.74096  349.8751       11.74096  174.3423 3.367215  186.6651 3.144928  -12.32275      4.607462  
1 1 1 45 4  3  o 82.78844 3.931023  72.18977       4.326622  44.46700       8.653244  99.91257       8.653244  66.04528 6.550993  99.53159 4.346984  -33.48631      7.862047  
1 1 1 45 4  4  o 72.06641 5.838448  54.49733       5.799007  68.09187       11.59801  40.90278       11.59801  81.49837 7.115489  62.63445 9.258494  18.86392       11.67690  
1 1 1 45 4  5  o 60.17462 6.962378  38.44880       5.789477  40.93137       11.57895  35.96623       11.57895  62.67186 9.237762  57.67739 10.41934  4.994469       13.92476  
1 1 1 45 4  6  f 68.24454 6.563716  48.73168       6.289802  55.15014       12.57960  42.31322       12.57960  72.94708 8.622418  63.54200 9.898655  9.405087       13.12743  
1 1 1 45 4  7  o 132.9216 3.744286  179.2641       7.037908  181.8896       14.07582  176.6386       14.07582  133.9092 5.255732  131.9340 5.334417  1.975235       7.488573  
1 1 1 45 4  8  o 40.41703 8.931031  13.60885       7.052203  -6.127792      14.10441  33.34548       14.10441  26.63665 12.10870  54.19740 13.13136  -27.56075      17.86206  
1 1 1 45 4  9  o 73.12775 7.962781  58.90495       7.924198  48.49819       15.84840  69.31171       15.84840  65.52090 12.54141  80.73460 9.815120  -15.21371      15.92556  
1 1 1 45 4  10 o 96.07114 6.509956  99.81249       8.543649  71.81811       17.08730  127.8069       17.08730  81.50153 10.48281  110.6408 7.721972  -29.13924      13.01991  
1 1 1 45 4  11 o 117.5280 5.899813  147.4673       9.625304  178.2015       19.25061  116.7330       19.25061  130.6033 7.369880  104.4527 9.214991  26.15058       11.79963  
1 1 1 45 4  12 o 35.03484 14.90131  7.919433       18.28808  7.919433       18.28808  ?              ?         35.03484 14.90131  ?        ?         ?              ?         
1 1 1 45 4  13 o 31.73127 13.98788  2.973361       17.26837  2.973361       17.26837  ?              ?         31.73127 13.98788  ?        ?         ?              ?         
1 1 1 45 5  0  o 63.82893 10.59710  44.24781       12.55101  44.24781       12.55101  44.24781       12.55101  63.82893 10.59710  63.82893 10.59710  0.000000       0.000000  
1 1 1 45 5  1  o 125.4955 2.794929  158.5030       4.960367  158.6078       9.920734  158.3982       9.920734  125.5373 3.951310  125.4537 3.953941  0.8353424E-01  5.589857  
1 1 1 45 5  2  o 67.62471 4.927094  46.88762       4.679232  53.12977       9.358463  40.64547       9.358463  72.24000 6.477342  63.00942 7.426241  9.230576       9.854188  
1 1 1 45 5  3  o 75.90170 4.189828  58.59047       4.493397  55.77911       8.986794  61.40181       8.986794  74.04973 6.068080  77.75366 5.779016  -3.703934      8.379656  
1 1 1 45 5  4  o 96.48920 4.163239  94.83307       5.670352  88.24784       11.34070  101.4183       11.34070  93.07678 6.092124  99.90162 5.675936  -6.824837      8.326477  
1 1 1 45 5  5  o 59.62423 7.799045  38.98724       6.318392  27.47500       12.63678  50.49949       12.63678  49.57247 12.69123  69.67599 9.068251  -20.10352      15.59809  
1 1 1 45 5  6  o 53.14484 8.090441  31.40613       6.156383  17.28743       12.31277  45.52483       12.31277  40.21813 13.22877  66.07154 9.317752  -25.85341      16.18088  
1 1 1 45 5  7  f 44.78761 8.912126  20.81829       6.847308  3.792941       13.69462  37.84365       13.69462  31.17992 13.06009  58.39529 12.13004  -27.21537      17.82425  
1 1 1 45 5  8  o 116.4865 4.707334  140.8154       7.600178  109.4140       15.20036  172.2167       15.20036  103.0080 7.378242  129.9651 5.847863  -26.95708      9.414667  
1 1 1 45 5  9  f 93.47548 5.226683  90.53027       6.909253  89.92512       13.81851  91.13543       13.81851  93.15179 7.417199  93.79918 7.366005  -0.6473923     10.45337  
1 1 1 45 5  10 o 93.99667 5.821863  92.93659       7.738363  94.32798       15.47673  91.54522       15.47673  94.73679 8.168276  93.25655 8.297930  1.480240       11.64373  
1 1 1 45 5  11 o 36.65438 14.99748  10.89279       17.49709  10.89279       17.49709  ?              ?         36.65438 14.99748  ?        ?         ?              ?         
1 1 1 45 5  12 o 40.26582 15.80144  17.92594       18.53586  17.92594       18.53586  ?              ?         40.26582 15.80144  ?        ?         ?              ?         
1 1 1 45 6  0  o 21.44239 13.56382  3.030541       12.16028  3.030541       12.16028  3.030541       12.16028  21.44239 13.56382  21.44239 13.56382  0.000000       0.000000  
1 1 1 45 6  1  o 104.0001 3.323230  109.7142       4.850772  94.32798       9.701544  125.1004       9.701544  96.60294 5.021350  111.3973 4.354478  -14.79438      6.646461  
1 1 1 45 6  2  o 87.56484 3.951660  78.66542       4.803122  61.58288       9.606244  95.74795       9.606244  77.81062 6.172836  97.31906 4.935439  -19.50844      7.903319  
1 1 1 45 6  3  o 55.99872 6.422768  35.28008       4.607757  17.15401       9.215513  53.40615       9.215513  39.62671 11.15664  72.37073 6.366879  -32.74402      12.84554  
1 1 1 45 6  4  o 49.51744 7.289449  26.66972       5.036607  18.97424       10.07321  34.36520       10.07321  41.50967 11.65701  57.52522 8.755476  -16.01556      14.57890  
1 1 1 45 6  5  f 43.11627 8.728052  20.50380       5.636997  23.84407       11.27399  17.16354       11.27399  46.36069 12.05007  39.87185 12.62979  6.488846       17.45610  
1 1 1 45 6  6  o 31.15473 8.555534  2.892356       6.184973  -10.30193      12.36995  16.08665       12.36995  23.13517 10.81551  39.17428 13.25947  -16.03911      17.11107  
1 1 1 45 6  7  o 85.47243 6.717967  81.40529       7.104619  119.1536       14.20924  43.65695       14.20924  107.9332 6.582424  63.01168 11.71307  44.92148       13.43593  
1 1 1 45 6  8  o 77.27818 6.521657  63.49365       6.966432  78.21274       13.93286  48.77456       13.93286  86.80162 8.025694  67.75473 10.28184  19.04689       13.04331  
1 1 1 45 6  9  o 93.63573 6.093460  92.51727       7.981378  77.56470       15.96276  107.4699       15.96276  85.65128 9.318458  101.6202 7.854129  -15.96888      12.18692  
1 1 1 45 6  10 o 91.26450 6.465421  88.85776       8.329224  94.72823       16.65845  82.98727       16.65845  94.48069 8.815794  88.04830 9.459835  6.432388       12.93084  
1 1 1 45 6  11 o 46.01404 9.982022  23.67729       8.257749  5.041372       16.51550  42.31322       16.51550  32.94191 14.09041  59.08617 14.14297  -26.14425      19.96404  
1 1 1 45 6  12 o 62.41190 9.777203  47.85015       8.410229  44.60041       16.82046  51.09988       16.82046  59.85924 14.23809  64.96455 13.40342  -5.105312      19.55441  
1 1 1 45 7  0  o 134.5434 5.437919  183.0809       14.58090  183.0809       14.58090  183.0809       14.58090  134.5434 5.437919  134.5434 5.437919  0.000000       0.000000  
1 1 1 45 7  1  o 111.2605 3.259807  125.0051       5.127142  120.9739       10.25428  129.0363       10.25428  109.4489 4.684506  113.0721 4.534399  -3.623199      6.519614  
1 1 1 45 7  2  o 32.39793 8.007865  10.18281       4.536282  11.26446       9.072563  9.101154       9.072563  33.44392 11.35552  31.35193 11.29405  2.091982       16.01573  
1 1 1 45 7  3  o 85.84724 3.987348  74.91060       4.836477  78.54629       9.672954  71.27490       9.672954  87.96478 5.498197  83.72971 5.776298  4.235077       7.974697  
1 1 1 45 7  4  o 143.3969 2.799626  209.6600       5.575052  254.9181       11.15010  164.4021       11.15010  159.1775 3.502411  127.6162 4.368609  31.56135       5.599253  
1 1 1 45 7  5  o 149.4592 2.994395  225.3560       6.327922  230.4736       12.65584  220.2384       12.65584  151.1712 4.185931  147.7471 4.282941  3.424088       5.988790  
1 1 1 45 7  6  o 43.68093 9.492395  21.10896       6.442283  19.14578       12.88457  23.07214       12.88457  41.92670 13.52434  45.43517 13.32346  -3.508461      18.98479  
1 1 1 45 7  7  o 96.28454 5.007205  95.37151       6.794893  104.2201       13.58979  86.52291       13.58979  100.8796 6.735649  91.68951 7.410764  9.190048       10.01441  
1 1 1 45 7  8  f 25.54351 8.252378  -11.77432      7.095088  2.268141       14.19018  -25.81678      14.19018  30.53084 13.06004  20.55618 10.09170  9.974661       16.50476  
1 1 1 45 7  9  o 114.3492 4.745630  135.5071       7.590649  157.8550       15.18130  113.1593       15.18130  124.1210 6.115525  104.5774 7.258399  19.54352       9.491260  
1 1 1 45 7  10 o 47.22723 9.558434  24.64459       7.943258  4.250381       15.88652  45.03880       15.88652  32.38275 13.83433  62.07172 13.19340  -29.68897      19.11687  
1 1 1 45 7  11 o 100.7313 6.456863  109.3377       9.148804  121.4885       18.29761  97.18698       18.29761  106.7626 8.569296  94.70006 9.660822  12.06255       12.91373  
1 1 1 45 7  12 o 53.60335 14.93061  36.77629       16.59174  36.77629       16.59174  ?              ?         53.60335 14.93061  ?        ?         ?              ?         
1 1 1 45 8  0  o 24.48558 15.07490  6.261212       14.02816  6.261212       14.02816  6.261212       14.02816  24.48558 15.07490  24.48558 15.07490  0.000000       0.000000  
1 1 1 45 8  1  o 113.8613 3.096392  130.8565       4.984192  134.8210       9.968384  126.8920       9.968384  115.6022 4.311502  112.1204 4.445394  3.481850       6.192784  
1 1 1 45 8  2  o 35.95303 7.924259  13.63744       4.555342  10.03509       9.110683  17.23978       9.110683  32.20398 11.34583  39.70208 11.06561  -7.498104      15.84852  
1 1 1 45 8  3  o 39.97919 7.695869  17.42561       4.612522  23.09120       9.225043  11.76003       9.225043  46.01178 10.28546  33.94662 11.45055  12.06516       15.39174  
1 1 1 45 8  4  o 69.54832 4.695320  49.41784       4.617287  48.34571       9.234573  50.48996       9.234573  68.77755 6.713363  70.31911 6.566192  -1.541557      9.390639  
1 1 1 45 8  5  o 91.73882 4.785830  86.05117       6.208797  85.16965       12.41759  86.93269       12.41759  91.25836 6.803538  92.21927 6.732647  -0.9609070     9.571660  
1 1 1 45 8  6  o 41.98389 9.573740  19.16484       6.508993  16.36302       13.01799  21.96666       13.01799  39.57146 13.59844  44.39634 13.47992  -4.824879      19.14748  
1 1 1 45 8  7  o 96.56258 5.521627  96.43888       7.523938  103.5435       15.04788  89.33426       15.04788  100.2413 7.505823  92.88381 8.100375  7.357529       11.04325  
1 1 1 45 8  8  o 98.68974 5.456995  101.7090       7.533468  118.3245       15.06694  85.09341       15.06694  107.1078 7.033538  90.27166 8.345330  16.83616       10.91399  
1 1 1 45 8  9  o 30.06924 9.182009  0.7147501      7.242803  5.975312       14.48561  -4.545812      14.48561  32.68632 13.54462  27.45215 12.40083  5.234163       18.36402  
1 1 1 45 8  10 o 83.06537 6.930457  74.92966       7.976613  58.83825       15.95323  91.02106       15.95323  73.37938 10.87037  92.75137 8.599996  -19.37199      13.86091  
1 1 1 45 8  11 o 112.5724 5.403358  134.0348       8.524589  153.7285       17.04918  114.3410       17.04918  121.3195 7.026558  103.8252 8.210515  17.49430       10.80672  
1 1 1 45 8  12 o 37.91514 15.49364  13.92334       18.65022  13.92334       18.65022  ?              ?         37.91514 15.49364  ?        ?         ?              ?         
1 1 1 45 9  0  o 44.74580 16.02950  27.52265       13.07517  27.52265       13.07517  27.52265       13.07517  44.74580 16.02950  44.74580 16.02950  0.000000       0.000000  
1 1 1 45 9  1  o 34.86226 7.887053  11.49319       4.888892  2.496861       9.777783  20.48951       9.777783  26.59210 11.08031  43.13242 11.22716  -16.54032      15.77411  
1 1 1 45 9  2  o 34.58190 8.494584  11.47889       5.241503  16.42973       10.48301  6.528053       10.48301  38.96139 12.15097  30.20242 11.87374  8.758976       16.98917  
1 1 1 45 9  3  o 87.46117 4.068666  77.89348       5.017547  84.70267       10.03509  71.08430       10.03509  91.35385 5.492431  83.56847 6.004115  7.785378       8.137333  
1 1 1 45 9  4  o 93.21603 3.509539  87.98576       4.622052  92.40291       9.244103  83.56860       9.244103  95.58534 4.835524  90.84673 5.087748  4.738617       7.019079  
1 1 1 45 9  5  o 70.40400 5.966972  52.23396       5.760887  66.41460       11.52177  38.05330       11.52177  80.47491 7.158613  60.33310 9.548470  20.14181       11.93394  
1 1 1 45 9  6  o 111.8138 4.209127  127.6687       6.628118  114.4839       13.25624  140.8535       13.25624  105.9179 6.257788  117.7096 5.630906  -11.79172      8.418255  
1 1 1 45 9  7  o 35.81646 9.152301  8.843843       6.823483  -5.289153      13.64697  22.97684       13.64697  26.50304 12.00084  45.12989 13.82166  -18.62685      18.30460  
1 1 1 45 9  8  o 51.89478 9.074738  31.12023       6.899723  19.32685       13.79945  42.91360       13.79945  41.70191 14.00466  62.08766 11.54439  -20.38575      18.14948  
1 1 1 45 9  9  o 105.4144 5.436793  116.0135       8.062383  102.8287       16.12477  129.1983       16.12477  99.16058 8.130633  111.6681 7.219951  -12.50755      10.87359  
1 1 1 45 9  10 o 133.9742 4.300915  185.0584       8.119563  167.4708       16.23913  202.6460       16.23913  127.4104 6.372766  140.5380 5.777487  -13.12762      8.601830  
1 1 1 45 9  11 o 34.60121 14.21759  9.196454       15.79122  9.196454       15.79122  ?              ?         34.60121 14.21759  ?        ?         ?              ?         
1 1 1 45 9  12 f 68.88679 10.11369  58.52852       9.706309  48.94610       19.41262  68.11094       19.41262  61.40418 15.73565  76.36940 12.70968  -14.96522      20.22738  
1 1 1 45 10 0  o 30.95436 17.23050  14.75245       15.59109  14.75245       15.59109  14.75245       15.59109  30.95436 17.23050  30.95436 17.23050  0.000000       0.000000  
1 1 1 45 10 1  o 70.99288 5.320383  52.92011       5.155732  68.37778       10.31146  37.46244       10.31146  81.87965 6.296719  60.10611 8.577716  21.77354       10.64077  
1 1 1 45 10 2  o 89.19383 4.108726  80.96691       5.174792  75.88742       10.34958  86.04641       10.34958  86.34638 5.993062  92.04128 5.622252  -5.694893      8.217451  
1 1 1 45 10 3  o 150.8078 2.764025  229.8589       5.865717  203.6752       11.73143  256.0426       11.73143  142.1267 4.127104  159.4890 3.677820  -17.36227      5.528051  
1 1 1 45 10 4  o 106.3178 3.271277  114.5173       4.898422  102.6953       9.796844  126.3392       9.796844  100.7581 4.861566  111.8776 4.378377  -11.11946      6.542553  
1 1 1 45 10 5  o 108.5099 4.263483  119.9256       6.542348  121.0692       13.08470  118.7820       13.08470  109.0369 6.000123  107.9830 6.058684  1.053917       8.526965  
1 1 1 45 10 6  o 78.47430 5.892259  64.33705       6.451812  52.68186       12.90362  75.99226       12.90362  71.04818 9.080898  85.90042 7.510804  -14.85224      11.78452  
1 1 1 45 10 7  o 45.50925 8.958994  22.31450       6.823483  6.270743       13.64697  38.35827       13.64697  32.42770 13.25272  58.59081 12.05900  -26.16311      17.91799  
1 1 1 45 10 8  o 56.50076 9.182598  36.56186       7.500113  24.39681       15.00023  48.72691       15.00023  45.91098 14.57081  67.09055 11.17909  -21.17958      18.36520  
1 1 1 45 10 9  o 62.93069 8.917831  45.48671       7.657358  49.57508       15.31472  41.39833       15.31472  66.19485 12.01035  59.66653 13.18569  6.528316       17.83566  
1 1 1 45 10 10 o 37.30196 9.972444  13.12758       7.471523  5.870482       14.94305  20.38468       14.94305  32.51625 13.63213  42.08767 14.55896  -9.571411      19.94489  
1 1 1 45 10 11 o 56.68047 15.06404  40.30238       17.37320  40.30238       17.37320  ?              ?         56.68047 15.06404  ?        ?         ?              ?         
1 1 1 45 10 12 o 50.06362 15.80144  32.87851       17.65910  32.87851       17.65910  ?              ?         50.06362 15.80144  ?        ?         ?              ?         
1 1 1 45 11 0  o 69.39039 11.79786  53.01541       15.09553  53.01541       15.09553  53.01541       15.09553  69.39039 11.79786  69.39039 11.79786  0.000000       0.000000  
1 1 1 45 11 1  o 54.77212 6.751313  31.76827       5.122376  32.42107       10.24475  31.11546       10.24475  55.79334 9.180983  53.75089 9.901032  2.042454       13.50263  
1 1 1 45 11 2  o 109.7180 3.296217  122.1889       5.079492  138.4900       10.15898  105.8879       10.15898  117.1467 4.336010  102.2894 4.965804  14.85725       6.592434  
1 1 1 45 11 3  o 57.37908 6.611782  34.88458       5.212912  30.69614       10.42582  39.07301       10.42582  53.31651 10.14292  61.44166 8.484328  -8.125156      13.22356  
1 1 1 45 11 4  o 58.12884 6.868768  38.00089       5.179556  56.69400       10.35911  19.30779       10.35911  74.40181 6.961601  41.85586 11.84297  32.54595       13.73754  
1 1 1 45 11 5  o 54.62463 7.502088  34.29372       6.180207  62.32622       12.36041  6.261212       12.36041  77.67831 7.956156  31.57096 12.72104  46.10735       15.00418  
1 1 1 45 11 6  o 155.7123 3.085823  245.0831       6.790127  234.1522       13.58025  256.0140       13.58025  152.2023 4.461250  159.2223 4.264559  -7.019928      6.171646  
1 1 1 45 11 7  o 34.95853 8.344651  1.667750       6.847308  28.54236       13.69462  -25.20686      13.69462  49.78196 13.44009  20.13511 9.894282  29.64685       16.68930  
1 1 1 45 11 8  o 101.8074 5.613648  108.9279       7.952788  87.42825       15.90558  130.4276       15.90558  91.24845 8.715532  112.3664 7.077548  -21.11799      11.22730  
1 1 1 45 11 9  o 48.82353 9.504342  28.07063       7.218978  40.20709       14.43796  15.93417       14.43796  58.92522 12.61672  38.72185 14.21789  20.20337       19.00868  
1 1 1 45 11 10 o 102.5783 5.925454  111.9918       8.538883  97.97797       17.07777  126.0057       17.07777  95.74745 8.918131  109.4091 7.804547  -13.66163      11.85091  
1 1 1 45 11 11 o 80.74272 9.105988  77.90778       9.701544  102.4761       19.40309  53.33943       19.40309  96.48572 10.05490  64.99972 15.18470  31.48600       18.21198  
1 1 1 45 12 0  o 89.18326 7.941333  82.59654       13.95192  82.59654       13.95192  82.59654       13.95192  89.18326 7.941333  89.18326 7.941333  0.000000       0.000000  
1 1 1 45 12 1  o 36.51355 8.281425  12.31277       5.489282  1.315140       10.97856  23.31039       10.97856  27.14670 11.54587  45.88040 11.87522  -18.73369      16.56285  
1 1 1 45 12 2  o 63.90129 5.677046  42.36086       5.079492  49.01281       10.15898  35.70893       10.15898  69.10615 7.350275  58.69643 8.653834  10.40971       11.35409  
1 1 1 45 12 3  o 78.35291 4.832100  62.96950       5.332037  69.44514       10.66407  56.49387       10.66407  82.48527 6.464230  74.22056 7.184043  8.264709       9.664200  
1 1 1 45 12 4  o 79.36893 5.306021  65.99051       5.775182  47.97404       11.55036  84.00698       11.55036  68.01910 8.490531  90.71875 6.366030  -22.69965      10.61204  
1 1 1 45 12 5  o 87.67471 4.791251  78.83696       5.927662  72.95218       11.85532  84.72173       11.85532  84.31868 7.030070  91.03074 6.511715  -6.712059      9.582501  
1 1 1 45 12 6  o 36.74168 9.456937  13.19905       6.375573  13.29436       12.75115  13.10376       12.75115  36.81641 13.37679  36.66695 13.37146  0.1494598      18.91387  
1 1 1 45 12 7  o 46.24182 9.325708  24.48734       6.542348  30.59131       13.08470  18.38338       13.08470  51.69744 12.72414  40.78621 13.63714  10.91123       18.65142  
1 1 1 45 12 8  o 80.55887 6.442795  68.53025       7.338103  66.77674       14.67621  70.28378       14.67621  79.47053 9.233742  81.64722 8.987573  -2.176689      12.88559  
1 1 1 45 12 9  o 37.35730 10.29213  12.60820       7.981378  7.033143       15.96276  18.18325       15.96276  33.91737 14.14661  40.79723 14.95276  -6.879868      20.58425  
1 1 1 45 12 10 o 52.22398 15.51055  34.36520       17.36367  34.36520       17.36367  ?              ?         52.22398 15.51055  ?        ?         ?              ?         
1 1 1 45 12 11 o 37.94141 15.43637  14.14252       18.43103  14.14252       18.43103  ?              ?         37.94141 15.43637  ?        ?         ?              ?         
1 1 1 45 13 0  o 19.47289 13.18181  -4.784062      14.59997  -4.784062      14.59997  -4.784062      14.59997  19.47289 13.18181  19.47289 13.18181  0.000000       0.000000  
1 1 1 45 13 1  o 70.39748 5.527398  52.07195       5.317742  37.12889       10.63548  67.01499       10.63548  59.78415 8.894904  81.01083 6.564237  -21.22668      11.05480  
1 1 1 45 13 2  o 23.41983 7.363584  -8.596064      5.441632  4.488632       10.88326  -21.68076      10.88326  29.09715 11.85384  17.74252 8.739330  11.35463       14.72717  
1 1 1 45 13 3  o 28.10892 8.218681  1.305610       5.656057  8.986794       11.31211  -6.375573      11.31211  32.74632 12.46166  23.47152 10.71886  9.274794       16.43736  
1 1 1 45 13 4  o 78.59646 4.925988  63.84626       5.403512  75.42998       10.80702  52.26254       10.80702  85.96557 6.285671  71.22735 7.586288  14.73822       9.851976  
1 1 1 45 13 5  o 119.1109 3.656906  143.9841       6.156383  149.5925       12.31277  138.3757       12.31277  121.4651 5.068436  116.7566 5.272836  4.708565       7.313812  
1 1 1 45 13 6  o 78.68224 5.823901  64.48000       6.480402  64.77544       12.96080  64.18457       12.96080  78.86997 8.216565  78.49450 8.255869  0.3754730      11.64780  
1 1 1 45 13 7  o 74.26366 7.039623  62.81226       6.461343  32.47825       12.92269  93.14626       12.92269  53.45405 12.33034  95.07328 6.796172  -41.61923      14.07925  
1 1 1 45 13 8  o 41.15343 10.26784  17.67339       7.838428  27.11286       15.67686  8.233924       15.67686  47.72883 14.85406  34.57804 14.17996  13.15079       20.53569  
1 1 1 45 13 9  o 43.44383 10.56449  21.89995       7.876549  23.41522       15.75310  20.38468       15.75310  44.58330 14.96320  42.30436 14.91764  2.278942       21.12897  
1 1 1 45 13 10 o 54.59422 15.85159  37.93895       18.32620  37.93895       18.32620  ?              ?         54.59422 15.85159  ?        ?         ?              ?         
1 1 1 45 13 11 o 35.67553 14.81137  10.62595       17.37320  10.62595       17.37320  ?              ?         35.67553 14.81137  ?        ?         ?              ?         
1 1 1 45 14 0  o 35.27307 18.31732  19.97489       16.56315  19.97489       16.56315  19.97489       16.56315  35.27307 18.31732  35.27307 18.31732  0.000000       0.000000  
1 1 1 45 14 1  o 61.29590 7.172362  42.14168       5.708472  22.72906       11.41694  61.55430       11.41694  45.19047 12.30358  77.40132 7.375161  -32.21085      14.34472  
1 1 1 45 14 2  o 54.13704 6.984526  32.09230       5.103317  43.14233       10.20663  21.04225       10.20663  64.65910 7.892651  43.61498 11.52564  21.04411       13.96905  
1 1 1 45 14 3  o 62.70440 6.347576  41.15532       5.584582  46.85903       11.16916  35.45161       11.16916  67.25249 8.303904  58.15631 9.602711  9.096184       12.69515  
1 1 1 45 14 4  o 56.66823 7.490563  34.61297       5.870482  37.73882       11.74096  31.48713       11.74096  59.91583 9.797882  53.42063 11.33295  6.495201       14.98113  
1 1 1 45 14 5  o 106.3769 4.215548  116.3899       6.261212  95.50018       12.52242  137.2797       12.52242  96.55818 6.484393  116.1957 5.388507  -19.63750      8.431095  
1 1 1 45 14 6  o 84.18843 5.894962  75.73971       6.737713  99.07392       13.47543  52.40549       13.47543  98.04675 6.871938  70.33011 9.580125  27.71664       11.78992  
1 1 1 45 14 7  o 81.79404 6.542599  70.69357       7.566823  72.11354       15.13365  69.27360       15.13365  82.66205 9.153926  80.92603 9.350297  1.736023       13.08520  
1 1 1 45 14 8  o 37.03466 9.414843  12.51289       6.890193  23.79642       13.78039  1.229370       13.78039  44.88861 13.91790  29.18071 12.68263  15.70790       18.82969  
1 1 1 45 14 9  o 111.0337 5.442851  130.3895       8.434053  107.2221       16.86811  153.5570       16.86811  100.6010 8.383665  121.4663 6.943535  -20.86525      10.88570  
1 1 1 45 14 10 o 56.84137 10.22228  40.52634       8.734248  24.27292       17.46850  56.77976       17.46850  44.43286 15.70474  69.24988 13.08973  -24.81702      20.44456  
1 1 1 45 14 11 f 38.96935 15.67854  15.84840       18.73599  15.84840       18.73599  ?              ?         38.96935 15.67854  ?        ?         ?              ?         
1 1 1 45 15 0  o 28.99690 16.89871  12.00780       15.91511  12.00780       15.91511  12.00780       15.91511  28.99690 16.89871  28.99690 16.89871  0.000000       0.000000  
1 1 1 45 15 1  o 40.13005 8.529681  17.63527       5.246267  19.46027       10.49253  15.81028       10.49253  41.94726 11.93511  38.31284 12.18914  3.634415       17.05936  
1 1 1 45 15 2  o 94.90381 4.490750  94.69487       5.741827  62.39294       11.48365  126.9968       11.48365  77.88556 7.372134  111.9221 5.130202  -34.03650      8.981500  
1 1 1 45 15 3  o 123.0422 3.300357  153.8190       5.703707  174.2657       11.40741  133.3724       11.40741  131.3510 4.342340  114.7334 4.971268  16.61758       6.600714  
1 1 1 45 15 4  o 131.3420 3.271969  174.7993       6.065848  162.4389       12.13170  187.1597       12.13170  126.6366 4.789966  136.0474 4.458628  -9.410873      6.543939  
1 1 1 45 15 5  o 25.31752 7.857206  -8.076677      6.080142  7.309513       12.16028  -23.46287      12.16028  31.85927 12.70470  18.77577 9.248429  13.08349       15.71441  
1 1 1 45 15 6  o 38.47360 8.162027  14.01387       5.775182  29.09510       11.55036  -1.067360      11.55036  50.84463 11.60909  26.10257 11.47623  24.74206       16.32405  
1 1 1 45 15 7  o 62.78400 8.041068  43.67125       6.961668  39.29220       13.92334  48.05028       13.92334  58.77340 12.24772  66.79460 10.42250  -8.021198      16.08214  
1 1 1 45 15 8  o 29.57023 9.185359  0.6194507E-01  7.419108  -1.286550      14.83822  1.410441       14.83822  28.93904 12.83441  30.20142 13.14387  -1.262379      18.37072  
1 1 1 45 15 9  o 44.38889 9.958950  23.74401       7.014082  22.88154       14.02816  24.60647       14.02816  43.66781 14.11435  45.10995 14.05375  -1.442142      19.91790  
1 1 1 45 15 10 o 44.65090 15.82759  25.24498       17.75440  25.24498       17.75440  ?              ?         44.65090 15.82759  ?        ?         ?              ?         
1 1 1 45 16 0  o 19.16204 13.25484  -8.948673      16.19147  -8.948673      16.19147  -8.948673      16.19147  19.16204 13.25484  19.16204 13.25484  0.000000       0.000000  
1 1 1 45 16 1  o 31.00630 8.389468  5.775183       5.570287  14.23783       11.14057  -2.687461      11.14057  37.01525 12.58334  24.99735 11.09920  12.01790       16.77894  
1 1 1 45 16 2  o 29.27029 8.356341  1.076890       5.980077  12.71302       11.96015  -10.55925      11.96015  36.05229 12.96938  22.48829 10.54082  13.56400       16.71268  
1 1 1 45 16 3  o 30.17094 8.309478  1.453325       6.003902  -12.99893      12.00780  15.90558       12.00780  21.64985 10.27246  38.69203 13.06393  -17.04218      16.61896  
1 1 1 45 16 4  o 46.60461 8.870617  24.65412       5.994372  22.42410       11.98874  26.88414       11.98874  44.48156 12.79058  48.72765 12.29441  -4.246090      17.74123  
1 1 1 45 16 5  o 33.62322 9.045917  9.058269       6.213562  2.439681       12.42712  15.67686       12.42712  28.92128 12.29180  38.32516 13.27501  -9.403881      18.09183  
1 1 1 45 16 6  o 62.92207 7.819815  44.13821       6.642413  31.75397       13.28483  56.52245       13.28483  52.63473 12.73875  73.20942 9.073167  -20.57469      15.63963  
1 1 1 45 16 7  o 124.6885 4.484575  161.4001       7.824133  187.5886       15.64827  135.2117       15.64827  135.1901 5.787507  114.1870 6.852037  21.00311       8.969150  
1 1 1 45 16 8  o 44.30342 9.115219  21.85230       6.875898  36.93829       13.75180  6.766303       13.75180  56.41940 12.51738  32.18743 13.25383  24.23197       18.23044  
1 1 1 45 16 9  o 84.96297 6.959814  78.94179       8.262513  66.01434       16.52503  91.86923       16.52503  77.35526 10.68126  92.57067 8.925628  -15.21541      13.91963  
1 1 1 45 16 10 o 46.86651 14.31251  27.59889       14.64762  27.59889       14.64762  ?              ?         46.86651 14.31251  ?        ?         ?              ?         
1 1 1 45 17 0  o 21.72871 14.57323  -3.354562      17.14448  -3.354562      17.14448  -3.354562      17.14448  21.72871 14.57323  21.72871 14.57323  0.000000       0.000000  
1 1 1 45 17 1  o 44.47934 8.675491  22.17155       5.636997  22.89107       11.27399  21.45204       11.27399  45.18651 12.19238  43.77216 12.34514  1.414352       17.35098  
1 1 1 45 17 2  o 27.70745 8.399742  0.4860302      5.984842  -3.783412      11.96968  4.755472       11.96968  25.31287 11.36127  30.10203 12.37515  -4.789160      16.79948  
1 1 1 45 17 3  o 71.53004 6.148357  53.56338       6.218328  52.36737       12.43666  54.75940       12.43666  70.69402 8.796115  72.36606 8.592878  -1.672035      12.29671  
1 1 1 45 17 4  o 50.03515 8.759778  28.65672       6.285037  21.05178       12.57007  36.26167       12.57007  43.04703 13.28173  57.02328 11.42500  -13.97625      17.51956  
1 1 1 45 17 5  o 56.43356 8.864365  36.35696       6.914018  41.74142       13.82804  30.97251       13.82804  61.10370 11.73383  51.76341 13.29003  9.340294       17.72873  
1 1 1 45 17 6  o 33.22051 9.310938  6.942608       6.904487  15.77216       13.80897  -1.886941      13.80897  38.61119 13.93124  27.82984 12.35698  10.78135       18.62188  
1 1 1 45 17 7  o 53.96654 8.463397  33.27401       6.480402  24.33963       12.96080  42.20839       12.96080  45.54021 13.36555  62.39286 10.38645  -16.85265      16.92679  
1 1 1 45 17 8  o 30.22814 8.864906  -9.301284      7.838428  19.27920       15.67686  -37.88176      15.67686  41.03967 14.84000  19.41662 9.701574  21.62304       17.72981  
1 1 1 45 17 9  o 41.88801 14.82957  21.06131       15.58156  21.06131       15.58156  ?              ?         41.88801 14.82957  ?        ?         ?              ?         
1 1 1 45 17 10 o 61.76758 10.16491  47.76438       8.734248  43.61883       17.46850  51.90993       17.46850  58.53889 14.88292  64.99627 13.84920  -6.457375      20.32983  
1 1 1 45 17 11 o 23.89791 11.45390  -11.44553      15.62921  -11.44553      15.62921  ?              ?         23.89791 11.45390  ?        ?         ?              ?         
1 1 1 45 18 0  o 83.91071 10.23505  75.65871       16.75375  75.65871       16.75375  75.65871       16.75375  83.91071 10.23505  83.91071 10.23505  0.000000       0.000000  
1 1 1 45 18 1  o 100.7436 4.447015  104.6728       6.265977  87.23766       12.53195  122.1079       12.53195  92.09035 6.804163  109.3968 5.727752  -17.30646      8.894030  
1 1 1 45 18 2  o 56.23796 7.390338  34.36043       5.746593  31.61102       11.49319  37.10983       11.49319  53.31105 11.14132  59.16486 9.712847  -5.853809      14.78068  
1 1 1 45 18 3  o 55.92241 8.089207  34.72256       6.289802  28.51377       12.57960  40.93137       12.57960  49.93193 12.59101  61.91288 10.15912  -11.98096      16.17841  
1 1 1 45 18 4  o 126.8710 3.668694  164.0686       6.566173  150.9839       13.13235  177.1533       13.13235  121.7143 5.394743  132.0277 4.973331  -10.31338      7.337389  
1 1 1 45 18 5  o 36.68550 9.402931  13.64697       6.327922  16.01041       12.65584  11.28353       12.65584  38.53848 13.39202  34.83253 13.20281  3.705952       18.80586  
1 1 1 45 18 6  o 46.73168 7.380309  23.41046       6.042023  -0.9434704     12.08405  47.76438       12.08405  26.48101 11.68373  66.98235 9.020322  -40.50134      14.76062  
1 1 1 45 18 7  o 55.58135 8.855769  35.92812       6.799657  37.09077       13.59931  34.76545       13.59931  56.59429 12.35617  54.56841 12.68951  2.025875       17.71154  
1 1 1 45 18 8  o 52.60895 9.907096  33.88869       7.776483  44.30499       15.55297  23.47240       15.55297  61.14318 13.09766  44.07471 14.86786  17.06846       19.81419  
1 1 1 45 18 9  o 44.88564 15.29448  25.55947       16.45832  25.55947       16.45832  ?              ?         44.88564 15.29448  ?        ?         ?              ?         
1 1 1 45 18 10 o 56.18374 14.60681  40.74077       16.56315  40.74077       16.56315  ?              ?         56.18374 14.60681  ?        ?         ?              ?         
1 1 1 45 19 0  o 26.24157 16.65880  5.822832       18.48821  5.822832       18.48821  5.822832       18.48821  26.24157 16.65880  26.24157 16.65880  0.000000       0.000000  
1 1 1 45 19 1  o 70.96560 6.990633  55.33121       6.532818  72.46616       13.06564  38.19625       13.06564  83.46065 7.827424  58.47055 11.58478  24.99010       13.98127  
1 1 1 45 19 2  o 71.58754 6.224561  53.92553       6.289802  57.57075       12.57960  50.28030       12.57960  74.13354 8.484424  69.04155 9.110170  5.091988       12.44912  
1 1 1 45 19 3  o 31.23808 9.029194  5.860952       6.337452  4.479102       12.67490  7.242803       12.67490  30.36188 12.63103  32.11429 12.90590  -1.752411      18.05839  
1 1 1 45 19 4  o 50.98807 8.323202  29.52872       6.375573  14.58090       12.75115  44.47653       12.75115  37.43307 13.39879  64.54306 9.878015  -27.10999      16.64640  
1 1 1 45 19 5  o 62.14452 8.065083  43.72842       6.828248  32.75462       13.65650  54.70222       13.65650  52.86229 12.99202  71.42675 9.559791  -18.56446      16.13017  
1 1 1 45 19 6  o 38.35402 9.104323  13.26100       6.833013  -2.153781      13.66603  28.67578       13.66603  27.45830 12.23639  49.24974 13.48427  -21.79145      18.20865  
1 1 1 45 19 7  o 44.93270 8.985390  23.12932       6.766303  38.29155       13.53261  7.967083       13.53261  57.35841 12.16593  32.50699 13.22645  24.85142       17.97078  
1 1 1 45 19 8  o 32.98153 9.493877  8.700893       6.975962  8.557944       13.95192  8.843843       13.95192  32.89732 13.41488  33.06574 13.43785  -0.1684265     18.98775  
1 1 1 45 19 9  o 35.48753 14.54543  11.04527       16.48691  11.04527       16.48691  ?              ?         35.48753 14.54543  ?        ?         ?              ?         
1 1 1 45 20 0  o 39.63881 19.63606  26.07409       18.58351  26.07409       18.58351  26.07409       18.58351  39.63881 19.63606  39.63881 19.63606  0.000000       0.000000  
1 1 1 45 20 1  o 26.24603 7.908672  -4.255147      5.851423  -17.76393      11.70285  9.253633       11.70285  19.67090 9.533178  32.82117 12.62168  -13.15027      15.81734  
1 1 1 45 20 2  o 80.97992 5.516509  68.47784       6.280273  76.72606       12.56055  60.22962       12.56055  86.07268 7.296476  75.88717 8.275803  10.18551       11.03302  
1 1 1 45 20 3  o 78.68690 7.094778  70.04554       6.990257  39.36845       13.98051  100.7226       13.98051  58.77427 12.29154  98.59953 7.089544  -39.82526      14.18956  
1 1 1 45 20 4  o 109.1232 4.641011  123.2325       7.152268  115.9992       14.30454  130.4657       14.30454  105.8090 6.759605  112.4375 6.361106  -6.628532      9.282022  
1 1 1 45 20 5  o 69.07413 8.241145  53.87788       7.709774  65.65220       15.41955  42.10356       15.41955  78.11829 9.869358  60.02997 13.20082  18.08832       16.48229  
1 1 1 45 20 6  o 40.89679 9.529165  16.51073       7.500113  33.57420       15.00023  -0.5527402     15.00023  52.61472 14.00389  29.17886 12.92714  23.43586       19.05833  
1 1 1 45 20 7  o 36.77242 13.91798  14.02816       14.04722  14.02816       14.04722  ?              ?         36.77242 13.91798  ?        ?         ?              ?         
1 1 1 45 20 8  o 27.70119 12.23424  0.2573101      13.29436  0.2573101      13.29436  ?              ?         27.70119 12.23424  ?        ?         ?              ?         
1 1 1 45 20 9  o 27.34021 12.07501  0.4955602      12.95128  0.4955602      12.95128  ?              ?         27.34021 12.07501  ?        ?         ?              ?         
1 1 1 45 21 0  o 33.35165 18.56140  18.31667       18.08795  18.31667       18.08795  18.31667       18.08795  33.35165 18.56140  33.35165 18.56140  0.000000       0.000000  
1 1 1 45 21 1  o 54.20304 9.136134  34.09359       6.914018  33.77433       13.82804  34.41285       13.82804  53.91971 12.96330  54.48637 12.87744  -0.5666618     18.27227  
1 1 1 45 21 2  o 41.10624 9.405242  17.33031       7.085558  31.58243       14.17112  3.078191       14.17112  51.69284 13.54438  30.51965 13.05313  21.17319       18.81048  
1 1 1 45 21 3  o 78.28995 6.238136  65.62360       6.794893  78.40334       13.58979  52.84387       13.58979  86.45174 7.859753  70.12814 9.689254  16.32360       12.47627  
1 1 1 45 21 4  f 70.80325 7.184900  54.19236       7.185624  57.03707       14.37125  51.34766       14.37125  72.81213 9.868716  68.79437 10.44507  4.017761       14.36980  
1 1 1 45 21 5  o 77.65184 7.202774  66.03817       7.809838  77.13585       15.61968  54.94047       15.61968  84.79765 9.209970  70.50604 11.07683  14.29160       14.40555  
1 1 1 45 21 6  o 46.49458 10.30261  26.46482       7.533468  25.31169       15.06694  27.61795       15.06694  45.55545 14.61795  47.43370 14.52207  -1.878246      20.60522  
1 1 1 45 21 7  o 23.88821 11.41055  -14.63809      15.18130  -14.63809      15.18130  ?              ?         23.88821 11.41055  ?        ?         ?              ?         
1 1 1 45 21 8  o 52.80352 14.27670  35.05135       15.43861  35.05135       15.43861  ?              ?         52.80352 14.27670  ?        ?         ?              ?         
1 1 1 45 21 9  o 30.91756 13.12076  7.423873       14.12347  7.423873       14.12347  ?              ?         30.91756 13.12076  ?        ?         ?              ?         
1 1 1 45 22 0  o 169.3848 5.886545  291.8659       19.88912  291.8659       19.88912  291.8659       19.88912  169.3848 5.886545  169.3848 5.886545  0.000000       0.000000  
1 1 1 45 22 1  o 138.3803 3.846724  196.8565       7.471523  223.9837       14.94305  169.7294       14.94305  148.1819 5.042128  128.5786 5.810860  19.60333       7.693449  
1 1 1 45 22 2  o 52.81879 9.679151  33.10247       7.295218  34.17459       14.59044  32.03034       14.59044  53.74503 13.56456  51.89254 13.81110  1.852489       19.35830  
1 1 1 45 22 3  o 36.92830 9.235632  9.863553       7.214212  -7.795544      14.42842  27.52265       14.42842  25.84365 11.92581  48.01294 14.10541  -22.16928      18.47126  
1 1 1 45 22 4  o 24.49802 8.144940  -11.61231      7.247568  -15.42908      14.49514  -7.795544      14.49514  23.23496 11.11071  25.76107 11.91269  -2.526114      16.28988  
1 1 1 45 22 5  o 46.52413 10.26651  26.29805       7.690712  19.29826       15.38142  33.29784       15.38142  40.95938 14.71050  52.08888 14.32501  -11.12950      20.53302  
1 1 1 45 22 6  o 46.99628 15.04776  27.83714       15.97229  27.83714       15.97229  ?              ?         46.99628 15.04776  ?        ?         ?              ?         
1 1 1 45 22 7  o 67.29675 9.108535  53.97318       8.448348  63.01239       16.89670  44.93397       16.89670  74.55653 11.33147  60.03697 14.26392  14.51956       18.21707  
1 1 1 45 22 8  o 33.95397 14.11986  9.825435       15.82934  9.825435       15.82934  ?              ?         33.95397 14.11986  ?        ?         ?              ?         
1 1 1 45 23 0  o 26.51624 17.12866  5.022312       20.52763  5.022312       20.52763  5.022312       20.52763  26.51624 17.12866  26.51624 17.12866  0.000000       0.000000  
1 1 1 45 23 1  o 36.88929 9.793449  12.92269       7.185624  5.756122       14.37125  20.08925       14.37125  32.02142 13.39363  41.75717 14.29186  -9.735752      19.58690  
1 1 1 45 23 2  o 61.68127 8.497240  43.71413       7.142738  42.34181       14.28548  45.08645       14.28548  60.55803 12.22312  62.80451 11.80711  -2.246475      16.99448  
1 1 1 45 23 3  o 73.31060 7.842893  61.83543       7.485818  83.88309       14.97164  39.78777       14.97164  88.80656 8.429354  57.81465 13.22837  30.99191       15.68579  
1 1 1 45 23 4  o 65.91774 8.608369  50.44231       7.738363  62.74554       15.47673  38.13908       15.47673  75.72958 10.21841  56.10589 13.85641  19.62370       17.21674  
1 1 1 45 23 5  o 54.81711 9.962917  37.45292       8.095737  50.12782       16.19147  24.77801       16.19147  64.97063 12.91937  44.66359 15.16999  20.30704       19.92583  
1 1 1 45 23 6  o 33.76684 13.94827  9.072563       15.28613  9.072563       15.28613  ?              ?         33.76684 13.94827  ?        ?         ?              ?         
1 1 1 45 23 7  o 46.89501 14.83712  28.28505       15.56250  28.28505       15.56250  ?              ?         46.89501 14.83712  ?        ?         ?              ?         
1 1 1 45 24 0  o 15.62389 11.48093  -38.86335      20.25126  -38.86335      20.25126  -38.86335      20.25126  15.62389 11.48093  15.62389 11.48093  0.000000       0.000000  
1 1 1 45 24 1  o 33.18327 9.276726  2.573101       7.619238  -16.63939      15.23848  21.78559       15.23848  23.58383 11.30493  42.78271 14.71153  -19.19888      18.55345  
1 1 1 45 24 2  o 40.13231 8.832082  13.13711       7.290452  -10.52112      14.58090  36.79535       14.58090  24.80231 11.62781  55.46231 13.29724  -30.66000      17.66416  
1 1 1 45 24 3  o 55.97232 9.757829  38.49645       8.009969  52.56750       16.01994  24.42540       16.01994  67.23949 12.37620  44.70515 15.08942  22.53435       19.51566  
1 1 1 45 24 4  o 50.04457 15.01717  31.86833       16.22007  31.86833       16.22007  ?              ?         50.04457 15.01717  ?        ?         ?              ?         
1 1 1 45 24 5  o 29.98791 13.39422  -0.2573101     16.45832  -0.2573101     16.45832  ?              ?         29.98791 13.39422  ?        ?         ?              ?         
1 1 1 45 24 6  o 33.07006 14.09870  6.728183       16.43926  6.728183       16.43926  ?              ?         33.07006 14.09870  ?        ?         ?              ?         
1 1 1 45 25 1  o 100.8903 5.171541  107.0982       7.366693  113.8264       14.73339  100.3700       14.73339  104.2247 7.068089  97.55587 7.551256  6.668816       10.34308  
1 1 1 45 25 2  o 55.97988 10.28573  39.39227       8.314929  46.42065       16.62986  32.36390       16.62986  61.63154 13.83247  50.32822 15.22655  11.30332       20.57146  
1 1 1 45 25 3  o 39.35575 14.86649  17.70675       16.00088  17.70675       16.00088  ?              ?         39.35575 14.86649  ?        ?         ?              ?         
1 1 1 45 25 4  o 29.38469 13.25754  -1.858351      16.50597  -1.858351      16.50597  ?              ?         29.38469 13.25754  ?        ?         ?              ?         
1 1 1 45 25 5  o 27.96718 12.85600  -5.527402      16.57268  -5.527402      16.57268  ?              ?         27.96718 12.85600  ?        ?         ?              ?         
1 1 1 45 26 1  o 49.42709 14.64154  31.01063       15.48626  31.01063       15.48626  ?              ?         49.42709 14.64154  ?        ?         ?              ?         
1 1 1 45 26 2  o 65.28741 9.280704  53.12977       8.538883  79.21339       17.07777  27.04615       17.07777  84.63043 10.08961  45.94439 15.57965  38.68604       18.56141  
1 1 1 45 26 3  o 34.56078 14.44726  9.158334       16.70610  9.158334       16.70610  ?              ?         34.56078 14.44726  ?        ?         ?              ?         
1 1 1 45 26 4  o 136.8634 4.254586  194.9219       8.233924  198.2908       16.46785  191.5531       16.46785  138.0941 5.962546  135.6326 6.070755  2.461456       8.509172  
1 1 1 45 26 5  o 45.27042 15.47496  28.69484       16.84905  28.69484       16.84905  ?              ?         45.27042 15.47496  ?        ?         ?              ?         
1 1 1 45 27 1  o 33.19217 13.76799  8.538883       14.99070  8.538883       14.99070  ?              ?         33.19217 13.76799  ?        ?         ?              ?         
1 1 1 45 27 2  o 30.15320 13.39296  1.038770       16.23913  1.038770       16.23913  ?              ?         30.15320 13.39296  ?        ?         ?              ?         
1 1 1 45 27 3  o 46.14214 15.13870  28.51377       16.12477  28.51377       16.12477  ?              ?         46.14214 15.13870  ?        ?         ?              ?         
1 1 1 45 28 1  o 49.70961 14.46751  33.67904       15.24801  33.67904       15.24801  ?              ?         49.70961 14.46751  ?        ?         ?              ?         
1 1 1 45 28 2  o 120.2186 4.843847  156.3635       8.162449  178.5923       16.32490  134.1348       16.32490  129.4637 6.304817  110.9734 7.355319  18.49027       9.687695  
1 1 1 46 0  0  o 17.57924 12.66460  -26.53153      19.48886  -26.53153      19.48886  -26.53153      19.48886  17.57924 12.66460  17.57924 12.66460  0.000000       0.000000  
1 1 1 46 0  1  o 174.0302 5.231846  305.7607       18.17372  305.7607       18.17372  305.7607       18.17372  174.0302 5.231846  174.0302 5.231846  0.000000       0.000000  
1 1 1 46 0  2  o 64.42922 11.11019  45.70590       13.15141  45.70590       13.15141  45.70590       13.15141  64.42922 11.11019  64.42922 11.11019  0.000000       0.000000  
1 1 1 46 0  3  o 37.89358 15.87831  21.16614       12.00780  21.16614       12.00780  21.16614       12.00780  37.89358 15.87831  37.89358 15.87831  0.000000       0.000000  
1 1 1 46 0  4  o 103.2289 8.570763  110.6052       17.45897  110.6052       17.45897  110.6052       17.45897  103.2289 8.570763  103.2289 8.570763  0.000000       0.000000  
1 1 1 46 0  5  o 90.52860 10.48745  87.38060       18.55492  87.38060       18.55492  87.38060       18.55492  90.52860 10.48745  90.52860 10.48745  0.000000       0.000000  
1 1 1 46 0  6  o 70.04736 16.38210  59.00979       19.92724  59.00979       19.92724  59.00979       19.92724  70.04736 16.38210  70.04736 16.38210  0.000000       0.000000  
1 1 1 46 0  7  o 33.69460 18.94828  18.02124       19.11719  18.02124       19.11719  18.02124       19.11719  33.69460 18.94828  33.69460 18.94828  0.000000       0.000000  
1 1 1 46 0  8  o 57.46554 19.50899  46.02992       20.04160  46.02992       20.04160  46.02992       20.04160  57.46554 19.50899  57.46554 19.50899  0.000000       0.000000  
1 1 1 46 0  9  o 29.95871 18.76969  10.37817       22.65282  10.37817       22.65282  10.37817       22.65282  29.95871 18.76969  29.95871 18.76969  0.000000       0.000000  
1 1 1 46 0  10 o 31.17566 19.27425  13.15141       23.11979  13.15141       23.11979  13.15141       23.11979  31.17566 19.27425  31.17566 19.27425  0.000000       0.000000  
1 1 1 46 1  0  o 138.9168 5.607460  195.4318       15.52438  195.4318       15.52438  195.4318       15.52438  138.9168 5.607460  138.9168 5.607460  0.000000       0.000000  
1 1 1 46 1  1  o 81.29585 4.271186  67.32471       4.907952  69.81680       9.815904  64.83261       9.815904  82.82858 5.925433  79.76311 6.153160  3.065468       8.542373  
1 1 1 46 1  2  o 40.82280 7.711780  18.25949       4.617287  13.78039       9.234573  22.73859       9.234573  36.00333 11.43318  45.64227 10.35223  -9.638939      15.42356  
1 1 1 46 1  3  o 28.49854 7.725682  4.941308       4.645877  -1.267491      9.291754  11.15010       9.291754  23.59237 10.33334  33.40471 11.48768  -9.812332      15.45136  
1 1 1 46 1  4  o 120.4453 3.739008  147.0861       6.366043  152.0607       12.73209  142.1114       12.73209  122.5104 5.196330  118.3801 5.377628  4.130226       7.478016  
1 1 1 46 1  5  o 65.57585 8.098008  47.74532       7.099854  31.37277       14.19971  64.11787       14.19971  52.68126 13.43310  78.47044 9.047806  -25.78918      16.19602  
1 1 1 46 1  6  o 42.30637 9.397676  18.80746       6.723418  28.98074       13.44684  8.634183       13.44684  50.63380 13.15987  33.97894 13.41950  16.65486       18.79535  
1 1 1 46 1  7  o 112.1952 4.967146  130.2513       7.800308  109.3758       15.60062  151.1268       15.60062  102.8920 7.581067  121.4984 6.420094  -18.60640      9.934293  
1 1 1 46 1  8  o 62.43147 8.560163  43.99526       7.338103  32.28765       14.67621  55.70287       14.67621  52.64513 13.77890  72.21780 10.16107  -19.57267      17.12033  
1 1 1 46 1  9  o 43.54551 9.856708  20.99460       7.347633  31.72538       14.69527  10.26381       14.69527  51.86282 13.88679  35.22821 13.99199  16.63461       19.71342  
1 1 1 46 1  10 o 103.5163 5.931350  113.5214       8.624654  99.14063       17.24931  127.9022       17.24931  96.57011 8.930976  110.4624 7.807773  -13.89228      11.86270  
1 1 1 46 1  11 o 51.99651 15.69270  34.34613       17.67816  34.34613       17.67816  ?              ?         51.99651 15.69270  ?        ?         ?              ?         
1 1 1 46 2  0  o 98.20774 7.265008  99.27404       14.11394  99.27404       14.11394  99.27404       14.11394  98.20774 7.265008  98.20774 7.265008  0.000000       0.000000  
1 1 1 46 2  1  o 174.6128 2.540249  307.0948       6.265977  290.5698       12.53195  323.6199       12.53195  169.8809 3.688453  179.3447 3.493818  -9.463806      5.080497  
1 1 1 46 2  2  o 86.72986 4.203866  77.25975       5.079492  92.28856       10.15898  62.23092       10.15898  95.39401 5.324749  78.06571 6.506688  17.32830       8.407731  
1 1 1 46 2  3  o 39.57109 7.633732  17.09206       4.431452  14.22830       8.862904  19.95583       8.862904  36.41199 11.13592  42.73019 10.44446  -6.318207      15.26746  
1 1 1 46 2  4  o 66.47525 6.619596  46.07757       6.223093  46.12521       12.44619  46.02992       12.44619  66.51109 9.356474  66.43941 9.366568  0.7167816E-01  13.23919  
1 1 1 46 2  5  o 116.8678 3.880657  139.5717       6.346982  116.7616       12.69396  162.3817       12.69396  107.1089 5.925730  126.6267 5.012357  -19.51785      7.761314  
1 1 1 46 2  6  o 35.69067 9.447722  11.10722       6.570938  15.76263       13.14188  6.451812       13.14188  39.07297 13.64012  32.30836 13.07612  6.764610       18.89544  
1 1 1 46 2  7  o 112.1747 4.487005  128.8218       7.114148  123.9568       14.22830  133.6869       14.22830  110.0061 6.467046  114.3432 6.221749  -4.337059      8.974010  
1 1 1 46 2  8  o 34.86381 9.945812  7.471523       7.833663  -0.5908602     15.66733  15.53391       15.66733  30.30740 13.34517  39.42021 14.75070  -9.112812      19.89162  
1 1 1 46 2  9  o 40.25843 10.30534  16.74898       7.790778  23.90125       15.58156  9.596713       15.58156  45.20803 14.88152  35.30884 14.25975  9.899189       20.61067  
1 1 1 46 2  10 o 81.09427 7.940060  72.44710       9.082094  66.93875       18.16419  77.95542       18.16419  77.69801 11.68897  84.49052 10.74925  -6.792519      15.88012  
1 1 1 46 2  11 o 64.62392 11.03629  52.73428       10.01127  47.04963       20.02254  58.41892       20.02254  60.46661 16.21825  68.78121 14.97222  -8.314598      22.07259  
1 1 1 46 3  0  o 15.58600 11.13838  -16.49644      14.20924  -16.49644      14.20924  -16.49644      14.20924  15.58600 11.13838  15.58600 11.13838  0.000000       0.000000  
1 1 1 46 3  1  o 111.5782 3.241498  125.8437       5.112847  121.7363       10.22569  129.9511       10.22569  109.7376 4.659158  113.4188 4.507936  -3.681213      6.482996  
1 1 1 46 3  2  o 45.37057 7.164338  22.46222       4.722116  32.47825       9.444233  12.44619       9.444233  56.00928 8.430954  34.73186 11.58576  21.27743       14.32868  
1 1 1 46 3  3  o 133.8195 2.787484  180.4411       5.274857  183.1000       10.54971  177.7822       10.54971  134.8129 3.912724  132.8260 3.971253  1.986908       5.574967  
1 1 1 46 3  4  o 75.37477 5.225923  58.33316       5.570287  59.05743       11.14057  57.60888       11.14057  75.85523 7.343313  74.89432 7.437530  0.9609146      10.45185  
1 1 1 46 3  5  o 78.48380 6.066057  63.95586       6.723418  67.72974       13.44684  60.18198       13.44684  80.88804 8.312005  76.07955 8.837352  4.808487       12.13211  
1 1 1 46 3  6  o 50.74796 8.453278  28.52330       6.380337  15.98182       12.76067  41.06479       12.76067  39.11809 13.46138  62.37782 10.22854  -23.25972      16.90656  
1 1 1 46 3  7  o 31.54246 9.179459  1.786876       7.161798  13.72320       14.32360  -10.14945      14.32360  37.83292 14.11442  25.25200 11.74023  12.58092       18.35892  
1 1 1 46 3  8  o 39.93276 10.40724  16.15812       7.833663  20.16549       15.66733  12.15075       15.66733  42.68982 14.89408  37.17570 14.53992  5.514111       20.81449  
1 1 1 46 3  9  o 65.55061 8.701485  48.74121       7.843193  40.21661       15.68639  57.26580       15.68639  58.52060 13.64147  72.58062 10.80618  -14.06002      17.40297  
1 1 1 46 3  10 o 60.99049 11.18001  46.31105       9.787313  52.25301       19.57463  40.36910       19.57463  65.41523 15.23215  56.56575 16.36924  8.849483       22.36002  
1 1 1 46 3  11 o 49.35415 15.06958  30.54366       16.23913  30.54366       16.23913  ?              ?         49.35415 15.06958  ?        ?         ?              ?         
1 1 1 46 4  0  o 87.18867 8.104418  79.18481       13.90427  79.18481       13.90427  79.18481       13.90427  87.18867 8.104418  87.18867 8.104418  0.000000       0.000000  
1 1 1 46 4  1  o 19.76767 6.609706  -13.11329      5.046137  -4.460042      10.09227  -21.76653      10.09227  22.84511 10.33362  16.69022 8.244340  6.154890       13.21941  
1 1 1 46 4  2  o 69.48726 5.234878  50.55191       4.979427  36.34743       9.958854  64.75638       9.958854  59.26635 8.401778  79.70818 6.247072  -20.44183      10.46976  
1 1 1 46 4  3  o 69.14787 4.765286  49.38924       4.579167  59.70547       9.158334  39.07301       9.158334  76.60741 5.977447  61.68833 7.423069  14.91908       9.530573  
1 1 1 46 4  4  o 79.09981 5.652396  64.81831       6.275507  73.68599       12.55101  55.95065       12.55101  84.70518 7.408647  73.49445 8.538751  11.21073       11.30479  
1 1 1 46 4  5  o 75.15001 5.873996  59.15273       6.118262  72.22791       12.23652  46.07757       12.23652  83.84939 7.296729  66.45063 9.207230  17.39876       11.74799  
1 1 1 46 4  6  o 108.4087 4.636527  120.3020       7.099854  113.6453       14.19971  126.9587       14.19971  105.3385 6.740035  111.4789 6.368787  -6.140373      9.273054  
1 1 1 46 4  7  o 72.29485 8.033423  58.27121       7.681183  39.83541       15.36237  76.70700       15.36237  59.05873 13.32263  85.53096 8.980588  -26.47223      16.06685  
1 1 1 46 4  8  o 72.65019 7.052956  56.27944       7.238038  53.34896       14.47608  59.20991       14.47608  70.63335 10.24734  74.66703 9.693753  -4.033676      14.10591  
1 1 1 46 4  9  o 38.05698 10.54165  10.94521       8.862904  23.44381       17.72581  -1.553391      17.72581  44.85486 15.82341  31.25911 13.93287  13.59575       21.08329  
1 1 1 46 4  10 o 77.89015 6.971994  65.81897       7.609708  75.30609       15.21942  56.33185       15.21942  83.98022 9.061311  71.80009 10.59846  12.18012       13.94399  
1 1 1 46 4  11 o 103.4268 6.538264  115.7610       9.549064  109.0042       19.09813  122.5177       19.09813  100.1604 9.533772  106.6933 8.950014  -6.532898      13.07653  
1 1 1 46 5  0  o 22.95378 14.78070  2.420621       15.10505  2.420621       15.10505  2.420621       15.10505  22.95378 14.78070  22.95378 14.78070  0.000000       0.000000  
1 1 1 46 5  1  o 68.67049 5.423130  49.00805       5.179556  58.94307       10.35911  39.07301       10.35911  75.90434 6.823796  61.43665 8.430728  14.46768       10.84626  
1 1 1 46 5  2  o 58.74025 5.977009  35.82805       4.936542  31.54431       9.873084  40.11179       9.873084  55.09392 8.960231  62.38659 7.912826  -7.292671      11.95402  
1 1 1 46 5  3  o 111.7902 3.064562  126.1725       4.841242  120.5450       9.682484  131.8000       9.682484  109.2732 4.430401  114.3072 4.235292  -5.033951      6.129124  
1 1 1 46 5  4  o 64.39659 6.129221  43.17092       5.546463  48.57443       11.09293  37.76740       11.09293  68.59209 8.086155  60.20110 9.213224  8.390987       12.25844  
1 1 1 46 5  5  o 52.73380 8.879333  31.30606       6.623353  23.37710       13.24671  39.23503       13.24671  45.66853 13.54426  59.79905 11.48579  -14.13052      17.75867  
1 1 1 46 5  6  o 56.58004 9.093346  36.29502       7.185624  27.48453       14.37125  45.10551       14.37125  49.10697 13.96661  64.05311 11.64859  -14.94614      18.18669  
1 1 1 46 5  7  o 68.67047 7.985312  51.97664       7.433403  41.11243       14.86681  62.84084       14.86681  60.24844 12.73142  77.09251 9.642187  -16.84407      15.97062  
1 1 1 46 5  8  o 74.65675 7.252787  59.60064       7.657358  59.16226       15.31472  60.03902       15.31472  74.36316 10.29725  74.95036 10.21657  -0.5871964     14.50557  
1 1 1 46 5  9  o 166.8993 3.702358  285.2997       8.700893  315.2525       17.40179  255.3469       17.40179  175.8726 4.947270  157.9260 5.509477  17.94664       7.404716  
1 1 1 46 5  10 o 70.75385 9.920350  59.66735       9.572888  57.03707       19.14578  62.29764       19.14578  68.87254 14.36959  72.63516 13.68095  -3.762627      19.84070  
1 1 1 46 5  11 o 123.8520 6.079012  164.6022       10.63548  173.0458       21.27097  156.1586       21.27097  127.2607 8.357243  120.4432 8.830290  6.817490       12.15802  
1 1 1 46 6  0  o 45.69180 16.81205  29.14275       14.16159  29.14275       14.16159  29.14275       14.16159  45.69180 16.81205  45.69180 16.81205  0.000000       0.000000  
1 1 1 46 6  1  o 120.8114 3.357013  147.6960       5.727532  138.7759       11.45506  156.6161       11.45506  117.1197 4.890326  124.5031 4.600312  -7.383476      6.714026  
1 1 1 46 6  2  o 105.1577 3.434368  111.9728       5.098552  104.4393       10.19710  119.5063       10.19710  101.5757 5.019460  108.7397 4.688768  -7.163979      6.868735  
1 1 1 46 6  3  o 139.7444 2.840386  196.8279       5.613173  198.8912       11.22635  194.7647       11.22635  140.4826 3.995636  139.0061 4.038076  1.476440       5.680771  
1 1 1 46 6  4  o 105.0905 4.200093  112.3969       6.242152  111.9204       12.48430  112.8734       12.48430  104.8638 5.952629  105.3172 5.927001  -0.4534225     8.400187  
1 1 1 46 6  5  o 107.9497 4.477015  118.9916       6.833013  122.0603       13.66603  115.9230       13.66603  109.3711 6.247550  106.5284 6.414264  2.842682       8.954031  
1 1 1 46 6  6  o 139.6373 4.019229  198.6339       7.924198  185.8160       15.84840  211.4517       15.84840  135.0476 5.867707  144.2270 5.494255  -9.179382      8.038459  
1 1 1 46 6  7  o 136.8387 3.950553  191.2720       7.624003  207.3348       15.24801  175.2091       15.24801  142.7080 5.342381  130.9695 5.821208  11.73851       7.901107  
1 1 1 46 6  8  o 101.4215 5.288332  107.1887       7.519173  91.49757       15.03835  122.8799       15.03835  93.68584 8.025945  109.1571 6.888398  -15.47124      10.57666  
1 1 1 46 6  9  o 110.1057 5.480871  127.8355       8.434053  106.3167       16.86811  149.3542       16.86811  100.3338 8.405993  119.8775 7.035557  -19.54372      10.96174  
1 1 1 46 6  10 o 53.44946 8.824716  33.63138       7.500113  55.56945       15.00023  11.69331       15.00023  71.15153 10.54104  35.74739 14.15588  35.40414       17.64943  
1 1 1 46 6  11 o 141.2370 4.713495  208.5784       9.406114  198.7387       18.81223  218.4182       18.81223  137.7536 6.828217  144.7204 6.499506  -6.966812      9.426990  
1 1 1 46 7  0  o 21.57934 14.00310  1.162660       13.95192  1.162660       13.95192  1.162660       13.95192  21.57934 14.00310  21.57934 14.00310  0.000000       0.000000  
1 1 1 46 7  1  f 111.5837 3.495698  126.0343       5.513107  130.9423       11.02621  121.1264       11.02621  113.7829 4.845286  109.3844 5.040120  4.398453       6.991395  
1 1 1 46 7  2  o 31.38573 8.455291  7.562057       5.322507  11.54083       10.64501  3.583282       10.64501  34.49740 12.25287  28.27406 11.65482  6.223339       16.91058  
1 1 1 46 7  3  o 121.0796 3.358211  148.3726       5.741827  139.1571       11.48365  157.5881       11.48365  117.2740 4.896079  124.8851 4.597687  -7.611130      6.716422  
1 1 1 46 7  4  o 64.32018 6.799305  44.40505       5.884778  54.85470       11.76956  33.95540       11.76956  72.86240 8.076564  55.77797 10.94035  17.08443       13.59861  
1 1 1 46 7  5  o 27.27812 8.354204  -5.127141      6.518523  8.081444       13.03705  -18.33573      13.03705  33.31082 13.19515  21.24542 10.24982  12.06540       16.70841  
1 1 1 46 7  6  o 36.55352 9.539022  11.87915       6.756773  5.165262       13.51355  18.59304       13.51355  31.73009 13.11125  41.37695 13.85882  -9.646860      19.07804  
1 1 1 46 7  7  o 75.39786 7.403832  62.31193       7.466758  46.67796       14.93352  77.94590       14.93352  64.57916 12.01096  86.21655 8.660470  -21.63738      14.80766  
1 1 1 46 7  8  o 36.45152 9.761688  7.204682       7.990908  24.75895       15.98182  -10.34958      15.98182  46.19773 15.07144  26.70530 12.41023  19.49243       19.52338  
1 1 1 46 7  9  o 55.36177 10.07660  36.84776       7.995674  31.43948       15.99135  42.25604       15.99135  50.91399 14.81529  59.80954 13.66231  -8.895546      20.15320  
1 1 1 46 7  10 o 38.59648 9.275341  7.461993       8.119563  35.74704       16.23913  -20.82306      16.23913  53.76608 14.68934  23.42688 11.32921  30.33920       18.55068  
1 1 1 46 7  11 o 60.30123 15.36223  46.77326       18.58351  46.77326       18.58351  ?              ?         60.30123 15.36223  ?        ?         ?              ?         
1 1 1 46 8  0  o 18.89056 12.82371  -5.022312      13.95192  -5.022312      13.95192  -5.022312      13.95192  18.89056 12.82371  18.89056 12.82371  0.000000       0.000000  
1 1 1 46 8  1  o 35.11848 7.817200  9.377523       5.398747  24.47305       10.79749  -5.718002      10.79749  47.07537 11.54154  23.16158 10.54644  23.91380       15.63440  
1 1 1 46 8  2  o 50.30708 7.394571  27.36064       5.184323  33.18348       10.36865  21.53781       10.36865  56.44990 9.183935  44.16425 11.59198  12.28565       14.78914  
1 1 1 46 8  3  o 71.30113 4.865921  52.15771       4.888892  47.17352       9.777783  57.14190       9.777783  67.80596 7.210121  74.79630 6.536276  -6.990334      9.731842  
1 1 1 46 8  4  o 37.60896 8.831852  14.88587       5.498813  16.39161       10.99763  13.38013       10.99763  38.99566 12.48645  36.22227 12.49380  2.773388       17.66370  
1 1 1 46 8  5  o 57.44469 8.453722  36.51897       6.771068  45.67731       13.54214  27.36064       13.54214  65.75352 10.29765  49.13585 13.40970  16.61767       16.90744  
1 1 1 46 8  6  o 122.1456 4.165308  152.2418       7.195153  152.2895       14.39031  152.1942       14.39031  122.1651 5.889694  122.1261 5.891576  0.3901672E-01  8.330615  
1 1 1 46 8  7  f 129.4045 4.289127  172.5407       7.771719  145.2944       15.54344  199.7870       15.54344  118.8770 6.537614  139.9321 5.553921  -21.05512      8.578254  
1 1 1 46 8  8  o 106.7749 5.574974  121.5171       8.095737  158.2362       16.19147  84.79797       16.19147  123.9695 6.530427  89.58025 9.037415  34.38927       11.14995  
1 1 1 46 8  9  o 108.4176 5.614765  123.6041       8.572238  136.1361       17.14448  111.0722       17.14448  114.1971 7.506531  102.6381 8.351906  11.55896       11.22953  
1 1 1 46 8  10 o 55.44919 9.037667  36.23307       8.410229  65.38535       16.82046  7.080793       16.82046  76.82176 10.94772  34.07661 14.38281  42.74515       18.07533  
1 1 1 46 8  11 o 42.59355 15.60825  22.30021       17.39226  22.30021       17.39226  ?              ?         42.59355 15.60825  ?        ?         ?              ?         
1 1 1 46 9  0  o 122.4273 6.792809  152.9375       16.52503  152.9375       16.52503  152.9375       16.52503  122.4273 6.792809  122.4273 6.792809  0.000000       0.000000  
1 1 1 46 9  1  o 115.3696 3.503171  134.7447       5.713237  130.2561       11.42647  139.2334       11.42647  113.4242 5.037052  117.3149 4.870003  -3.890648      7.006341  
1 1 1 46 9  2  o 105.5015 3.669170  112.8543       5.470222  107.7939       10.94044  117.9147       10.94044  103.1033 5.305577  107.8998 5.069724  -4.796562      7.338341  
1 1 1 46 9  3  o 86.67287 4.265632  76.53069       5.227207  74.56275       10.45441  78.49864       10.45441  85.53759 6.111006  87.80814 5.952988  -2.270546      8.531263  
1 1 1 46 9  4  o 50.26218 7.185257  27.83714       5.012782  16.90623       10.02556  38.76805       10.02556  39.32832 11.80735  61.19605 8.191349  -21.86773      14.37051  
1 1 1 46 9  5  o 78.91016 5.810873  64.66585       6.466108  70.11224       12.93222  59.21944       12.93222  82.36117 7.850918  75.45914 8.569018  6.902023       11.62175  
1 1 1 46 9  6  o 99.09403 5.202260  101.4755       7.290452  101.3992       14.58090  101.5517       14.58090  99.05556 7.359963  99.13250 7.354251  -0.7693481E-01 10.40452  
1 1 1 46 9  7  o 53.28175 9.574893  33.08340       7.376224  24.42540       14.75245  41.74142       14.75245  45.93398 14.43235  60.62953 12.58656  -14.69556      19.14979  
1 1 1 46 9  8  o 67.29527 8.148774  50.75203       7.461993  60.75378       14.92399  40.75030       14.92399  75.24676 9.916698  59.34378 12.93326  15.90297       16.29755  
1 1 1 46 9  9  o 67.72578 9.281997  54.84041       8.624654  79.48976       17.24931  30.19105       17.24931  85.80653 10.05128  49.64503 15.60749  36.16150       18.56399  
1 1 1 46 9  10 o 98.97133 6.381234  106.1023       8.767603  127.8545       17.53521  84.35007       17.53521  109.9605 7.973413  87.98217 9.965204  21.97832       12.76247  
1 1 1 46 9  11 o 83.29014 8.058867  78.81313       9.472824  83.97840       18.94565  73.64787       18.94565  86.39090 10.96507  80.18938 11.81307  6.201523       16.11773  
1 1 1 46 10 0  o 30.18250 16.61475  14.06629       14.27595  14.06629       14.27595  14.06629       14.27595  30.18250 16.61475  30.18250 16.61475  0.000000       0.000000  
1 1 1 46 10 1  o 22.64302 7.319675  -7.481054      5.374923  -13.79945      10.74985  -1.162660      10.74985  19.86764 9.516693  25.41840 11.12399  -5.550762      14.63935  
1 1 1 46 10 2  o 135.3010 3.027375  184.8392       5.789477  191.9057       11.57895  177.7727       11.57895  137.9124 4.197939  132.6896 4.363174  5.222809       6.054749  
1 1 1 46 10 3  o 37.37451 8.176211  13.36583       5.455927  25.01626       10.91185  1.715401       10.91185  47.49075 11.57723  27.25828 11.54857  20.23247       16.35242  
1 1 1 46 10 4  o 45.69576 8.200692  23.25321       5.413042  29.52395       10.82608  16.98247       10.82608  51.90959 10.78677  39.48194 12.35520  12.42765       16.40138  
1 1 1 46 10 5  o 118.3393 4.085775  142.7070       6.837778  143.3503       13.67556  142.0638       13.67556  118.6111 5.764873  118.0675 5.791414  0.5435791      8.171550  
1 1 1 46 10 6  o 60.65001 8.146648  41.24586       6.747242  29.13322       13.49448  53.35849       13.49448  50.28484 13.23632  71.01518 9.501128  -20.73034      16.29330  
1 1 1 46 10 7  o 130.8631 4.342392  175.9191       8.005203  158.4840       16.01041  193.3542       16.01041  124.2015 6.445337  137.5247 5.820921  -13.32320      8.684785  
1 1 1 46 10 8  o 39.05729 10.46491  15.38619       8.033793  11.24540       16.06759  19.52698       16.06759  36.35841 14.56431  41.75616 15.03123  -5.397751      20.92981  
1 1 1 46 10 9  o 103.4444 5.726310  113.5977       8.272044  93.97536       16.54409  133.2199       16.54409  93.95995 8.803797  112.9289 7.325003  -18.96892      11.45262  
1 1 1 46 10 10 o 38.04569 15.01410  14.50467       16.82046  14.50467       16.82046  ?              ?         38.04569 15.01410  ?        ?         ?              ?         
1 1 1 46 10 11 o 95.00856 7.084688  99.78868       9.501414  93.42262       19.00283  106.1547       19.00283  91.65831 10.36612  98.35880 9.659953  -6.700493      14.16938  
1 1 1 46 11 0  o 124.4420 7.085925  158.3220       17.51615  158.3220       17.51615  158.3220       17.51615  124.4420 7.085925  124.4420 7.085925  0.000000       0.000000  
1 1 1 46 11 1  o 37.28563 8.945572  13.48496       5.965783  21.21379       11.93157  5.756122       11.93157  43.69141 12.82419  30.87985 12.47531  12.81156       17.89114  
1 1 1 46 11 2  o 60.12923 7.162379  39.23027       5.803772  49.41307       11.60754  29.04745       11.60754  69.03604 8.406873  51.22241 11.59841  17.81363       14.32476  
1 1 1 46 11 3  o 50.24331 7.322094  28.08969       5.184323  14.69527       10.36865  41.48410       10.36865  37.18945 12.13956  63.29718 8.190447  -26.10773      14.64419  
1 1 1 46 11 4  o 24.94140 7.469326  -4.197966      5.203382  -16.66798      10.40676  8.272044       10.40676  18.45438 8.958034  31.42843 11.95479  -12.97406      14.93865  
1 1 1 46 11 5  o 172.0745 2.998289  299.4709       7.290452  313.2036       14.58090  285.7381       14.58090  176.0648 4.140778  168.0841 4.337384  7.980698       5.996577  
1 1 1 46 11 6  o 78.43771 6.772628  70.38385       6.404162  106.7646       12.80832  34.00305       12.80832  102.0110 6.277916  54.86447 12.00257  47.14649       13.54526  
1 1 1 46 11 7  o 56.85510 8.606115  37.51010       7.199918  16.29631       14.39984  58.72389       14.39984  39.40830 14.22544  74.30190 9.690085  -34.89360      17.21223  
1 1 1 46 11 8  o 66.97937 9.034870  53.28225       8.248219  29.80985       16.49644  76.75465       16.49644  49.47113 15.20547  84.48762 9.762636  -35.01649      18.06974  
1 1 1 46 11 9  o 70.36790 9.008206  60.26774       8.467408  90.66846       16.93482  29.86703       16.93482  91.82594 9.221151  48.90986 15.47777  42.91608       18.01641  
1 1 1 46 11 10 o 97.57497 6.329487  103.1718       8.672303  116.2756       17.34461  90.06806       17.34461  104.2897 8.315591  90.86025 9.544662  13.42943       12.65897  
1 1 1 46 12 0  o 48.69341 18.58451  34.08883       16.97294  34.08883       16.97294  34.08883       16.97294  48.69341 18.58451  48.69341 18.58451  0.000000       0.000000  
1 1 1 46 12 1  o 52.81640 8.093875  30.81050       5.875248  30.46742       11.75050  31.15358       11.75050  52.49612 11.50636  53.13668 11.38626  -0.6405525     16.18775  
1 1 1 46 12 2  o 90.63170 4.555086  84.07846       5.822832  91.00201       11.64566  77.15491       11.64566  94.45131 6.164904  86.81210 6.707398  7.639214       9.110171  
1 1 1 46 12 3  o 50.29652 7.959873  27.96103       5.522637  27.37970       11.04527  28.54236       11.04527  49.73680 11.34987  50.85625 11.16328  -1.119442      15.91975  
1 1 1 46 12 4  o 89.98727 4.778606  83.12547       6.080142  84.95998       12.16028  81.29093       12.16028  91.00660 6.680991  88.96795 6.834082  2.038651       9.557213  
1 1 1 46 12 5  o 72.19643 7.717875  57.54216       7.442933  42.55146       14.88587  72.53285       14.88587  61.33107 12.56853  83.06179 8.960718  -21.73072      15.43575  
1 1 1 46 12 6  o 46.72916 9.910823  25.29740       7.090323  27.87526       14.18065  22.71953       14.18065  48.93869 13.85928  44.51965 14.17102  4.419041       19.82165  
1 1 1 46 12 7  o 56.54393 9.044138  36.89541       7.328573  25.76913       14.65715  48.02169       14.65715  46.71073 14.32781  66.37713 11.04081  -19.66640      18.08828  
1 1 1 46 12 8  o 26.25982 8.590461  -8.562708      7.552527  -10.10180      15.10505  -7.023612      15.10505  25.69746 11.98934  26.82217 12.30608  -1.124704      17.18092  
1 1 1 46 12 9  o 76.56001 8.916084  70.04552       8.877199  99.16922       17.75440  40.92183       17.75440  95.95422 9.251493  57.16581 15.24454  38.78841       17.83217  
1 1 1 46 12 10 f 75.17120 9.240242  67.45814       9.491884  78.47958       18.98377  56.43668       18.98377  83.09662 11.42271  67.24577 14.52756  15.85085       18.48048  
1 1 1 46 13 0  o 16.22930 11.57677  -16.83952      15.15271  -16.83952      15.15271  -16.83952      15.15271  16.22930 11.57677  16.22930 11.57677  0.000000       0.000000  
1 1 1 46 13 1  o 40.12199 8.557511  16.94435       5.684648  26.23610       11.36929  7.652593       11.36929  48.53663 11.80822  31.70735 12.38911  16.82928       17.11502  
1 1 1 46 13 2  o 42.14019 7.417398  15.95323       5.941957  -6.042023      11.88391  37.94848       11.88391  24.25352 11.04918  60.02687 9.898829  -35.77335      14.83480  
1 1 1 46 13 3  o 42.10283 7.848121  18.08318       5.746593  0.7242803      11.49319  35.44209       11.49319  27.18391 11.69496  57.02175 10.46899  -29.83783      15.69624  
1 1 1 46 13 4  o 63.39444 6.527624  42.37040       5.837128  39.03490       11.67426  45.70590       11.67426  60.76369 9.606276  66.02519 8.840757  -5.261505      13.05525  
1 1 1 46 13 5  o 74.13503 5.827775  57.77565       6.042023  67.26276       12.08405  48.28853       12.08405  80.53357 7.502490  67.73650 8.919893  12.79707       11.65555  
1 1 1 46 13 6  f 49.51478 8.679751  24.79230       7.933728  -3.259262      15.86746  52.84387       15.86746  29.28242 13.11343  69.74713 11.37499  -40.46471      17.35950  
1 1 1 46 13 7  o 72.62284 7.789538  60.01043       7.376224  38.67275       14.75245  81.34811       14.75245  57.47424 13.11801  87.77145 8.403898  -30.29721      15.57908  
1 1 1 46 13 8  o 97.06650 6.361709  100.5225       8.724718  105.2303       17.44944  95.81466       17.44944  99.49155 8.769307  94.64144 9.218709  4.850105       12.72342  
1 1 1 46 13 9  o 75.91622 8.400921  68.08234       8.195804  39.41610       16.39161  96.74860       16.39161  56.62555 14.42904  95.20689 8.608414  -38.58135      16.80184  
1 1 1 46 13 10 o 34.16740 14.70483  6.728183       18.18325  6.728183       18.18325  ?              ?         34.16740 14.70483  ?        ?         ?              ?         
1 1 1 46 14 0  o 52.87853 18.45651  38.72993       17.62098  38.72993       17.62098  38.72993       17.62098  52.87853 18.45651  52.87853 18.45651  0.000000       0.000000  
1 1 1 46 14 1  o 93.25058 4.830997  89.26755       6.366043  93.20344       12.73209  85.33166       12.73209  95.36096 6.675733  91.14020 6.984891  4.220764       9.661993  
1 1 1 46 14 2  o 98.65165 4.484499  99.58853       6.256447  100.1508       12.51289  99.02627       12.51289  98.93662 6.323692  98.36668 6.360333  0.5699463      8.968998  
1 1 1 46 14 3  o 77.88896 5.402338  63.16010       5.899073  53.91124       11.79815  72.40897       11.79815  71.95174 8.198651  83.82617 7.037268  -11.87443      10.80468  
1 1 1 46 14 4  o 124.0973 3.640634  156.8019       6.380337  166.2319       12.76067  147.3720       12.76067  127.8967 4.988663  120.2979 5.303781  7.598831       7.281267  
1 1 1 46 14 5  o 37.32414 8.293695  10.50683       6.256447  -8.491233      12.51289  29.50489       12.51289  23.77637 11.02291  50.87192 12.39503  -27.09555      16.58739  
1 1 1 46 14 6  o 45.18698 9.350420  22.41457       7.223743  38.23438       14.44749  6.594762       14.44749  57.54416 12.87749  32.82981 13.56067  24.71435       18.70084  
1 1 1 46 14 7  o 96.18413 5.706985  97.29658       7.752658  91.80252       15.50532  102.7906       15.50532  93.32812 8.306884  99.04013 7.827795  -5.712013      11.41397  
1 1 1 46 14 8  o 109.3772 5.160237  125.3005       7.981378  127.0159       15.96276  123.5851       15.96276  110.1614 7.245171  108.5930 7.349808  1.568336       10.32047  
1 1 1 46 14 9  o 32.75596 14.42080  2.782761       18.28808  2.782761       18.28808  ?              ?         32.75596 14.42080  ?        ?         ?              ?         
1 1 1 46 14 10 o 63.49525 14.25643  50.10876       17.65910  50.10876       17.65910  ?              ?         63.49525 14.25643  ?        ?         ?              ?         
1 1 1 46 15 0  o 26.57527 16.74956  6.375573       18.37385  6.375573       18.37385  6.375573       18.37385  26.57527 16.74956  26.57527 16.74956  0.000000       0.000000  
1 1 1 46 15 1  o 103.5918 4.437680  110.5290       6.437518  127.9117       12.87504  93.14626       12.87504  111.9818 5.748717  95.20181 6.761971  16.78001       8.875360  
1 1 1 46 15 2  o 50.99158 8.163914  29.12846       6.022963  17.96406       12.04593  40.29285       12.04593  40.32301 13.08374  61.66015 9.767998  -21.33714      16.32783  
1 1 1 46 15 3  o 60.75136 7.444777  41.45552       6.003902  25.58806       12.00780  57.32297       12.00780  47.35809 12.49514  74.14462 8.097556  -26.78653      14.88955  
1 1 1 46 15 4  o 36.98877 7.866540  8.991558       6.065848  -12.83692      12.13170  30.82003       12.13170  21.73468 10.31868  52.24287 11.87665  -30.50819      15.73308  
1 1 1 46 15 5  o 37.08840 9.392849  13.35153       6.528053  6.175443       13.05611  20.52763       13.05611  31.66162 12.95498  42.51518 13.60408  -10.85357      18.78570  
1 1 1 46 15 6  o 34.13250 9.090580  11.18822       5.989607  9.958854       11.97921  12.41759       11.97921  33.17550 12.76737  35.08950 12.94407  -1.914001      18.18116  
1 1 1 46 15 7  o 56.54958 9.370082  37.84365       7.447698  29.60972       14.89540  46.07757       14.89540  49.62522 14.25294  63.47393 12.16748  -13.84871      18.74016  
1 1 1 46 15 8  o 71.05057 8.285398  57.68511       7.990908  68.81615       15.98182  46.55407       15.98182  79.41517 10.06219  62.68597 13.16600  16.72920       16.57080  
1 1 1 46 15 9  o 28.88241 12.65619  1.543861       13.95192  1.543861       13.95192  ?              ?         28.88241 12.65619  ?        ?         ?              ?         
1 1 1 46 16 0  o 46.65768 20.07445  33.98399       19.08860  33.98399       19.08860  33.98399       19.08860  46.65768 20.07445  46.65768 20.07445  0.000000       0.000000  
1 1 1 46 16 1  o 58.87480 8.039227  38.54410       6.451812  37.85318       12.90362  39.23503       12.90362  58.28419 11.47841  59.46541 11.25890  -1.181221      16.07845  
1 1 1 46 16 2  o 40.90345 9.069026  18.27855       6.123027  10.73078       12.24605  25.82631       12.24605  34.30212 12.99154  47.50478 12.65736  -13.20266      18.13805  
1 1 1 46 16 3  o 34.58023 9.513031  10.00174       6.732948  12.76067       13.46590  7.242803       13.46590  36.47212 13.66969  32.68834 13.23369  3.783783       19.02606  
1 1 1 46 16 4  o 63.14018 8.039244  45.77261       6.771068  25.46417       13.54214  66.08105       13.54214  46.89593 13.62960  79.38443 8.529466  -32.48850      16.07849  
1 1 1 46 16 5  f 82.67769 5.645180  72.88547       6.399398  92.48869       12.79880  53.28225       12.79880  94.53290 6.769492  70.82249 9.035829  23.71041       11.29036  
1 1 1 46 16 6  o 41.70752 9.722512  19.60798       6.856837  13.11329       13.71367  26.10268       13.71367  36.43895 13.76350  46.97609 13.73590  -10.53714      19.44502  
1 1 1 46 16 7  o 34.78738 10.11171  9.005853       8.029028  5.860952       16.05806  12.15075       16.05806  33.03713 14.00388  36.53764 14.59035  -3.500507      20.22343  
1 1 1 46 16 8  o 74.36623 7.559974  61.26839       7.938493  57.71370       15.87699  64.82309       15.87699  71.97624 11.02933  76.75623 10.34248  -4.779984      15.11995  
1 1 1 46 16 9  o 41.46032 15.12469  20.69917       16.31536  20.69917       16.31536  ?              ?         41.46032 15.12469  ?        ?         ?              ?         
1 1 1 46 16 10 o 21.08839 10.38750  -24.68271      15.35284  -24.68271      15.35284  ?              ?         21.08839 10.38750  ?        ?         ?              ?         
1 1 1 46 17 0  o 21.07895 14.51072  -8.548413      19.03142  -8.548413      19.03142  -8.548413      19.03142  21.07895 14.51072  21.07895 14.51072  0.000000       0.000000  
1 1 1 46 17 1  o 61.21006 8.266265  42.66583       6.894957  26.46482       13.78991  58.86684       13.78991  47.76765 13.71202  74.65247 9.236074  -26.88482      16.53253  
1 1 1 46 17 2  o 50.40556 9.104923  29.28094       6.632883  22.15726       13.26577  36.40462       13.26577  44.01929 13.65700  56.79183 12.04512  -12.77254      18.20985  
1 1 1 46 17 3  o 53.65387 8.324927  32.51161       6.351747  43.22810       12.70349  21.79512       12.70349  63.65405 9.978545  43.65369 13.32840  20.00036       16.64985  
1 1 1 46 17 4  o 40.70314 9.213467  18.32620       6.289802  25.88349       12.57960  10.76890       12.57960  47.15425 12.94899  34.25203 13.11013  12.90222       18.42693  
1 1 1 46 17 5  o 80.88493 6.141517  69.42607       7.004553  75.22031       14.00911  63.63184       14.00911  84.46671 8.292679  77.30315 9.061149  7.163559       12.28303  
1 1 1 46 17 6  o 46.74717 9.909540  26.08362       7.157033  30.78192       14.31407  21.38533       14.31407  50.73200 13.76051  42.76234 14.26339  7.969662       19.81908  
1 1 1 46 17 7  o 34.62763 9.824516  10.19710       7.352398  12.47478       14.70480  7.919433       14.70480  36.02103 14.08663  33.23423 13.69858  2.786808       19.64903  
1 1 1 46 17 8  o 27.97381 12.57654  -1.848821      14.72386  -1.848821      14.72386  ?              ?         27.97381 12.57654  ?        ?         ?              ?         
1 1 1 46 17 9  o 46.17720 14.49522  26.97944       14.88587  26.97944       14.88587  ?              ?         46.17720 14.49522  ?        ?         ?              ?         
1 1 1 46 18 0  o 31.22520 18.76258  13.90427       20.62293  13.90427       20.62293  13.90427       20.62293  31.22520 18.76258  31.22520 18.76258  0.000000       0.000000  
1 1 1 46 18 1  f 37.55679 9.541918  14.22830       6.575703  9.577654       13.15141  18.87894       13.15141  33.97245 13.31439  41.14112 13.67186  -7.168674      19.08384  
1 1 1 46 18 2  o 51.39728 9.077655  30.63897       6.709123  22.57658       13.41825  38.70134       13.41825  44.22589 13.73812  58.56866 11.86926  -14.34277      18.15531  
1 1 1 46 18 3  o 133.2774 3.862704  181.7991       7.271393  192.0772       14.54279  171.5210       14.54279  137.1333 5.302426  129.4215 5.618381  7.711823       7.725408  
1 1 1 46 18 4  o 35.69602 9.949428  11.30258       7.390518  12.25558       14.78104  10.34958       14.78104  36.29790 14.13778  35.09414 14.00312  1.203762       19.89886  
1 1 1 46 18 5  f 35.73761 9.598490  8.915318       7.481052  22.74812       14.96210  -4.917482      14.96210  44.00069 14.58270  27.47453 12.48475  16.52616       19.19698  
1 1 1 46 18 6  f 50.31461 10.02395  30.94868       7.685949  22.03337       15.37190  39.86400       15.37190  42.99381 14.77660  57.63541 13.54882  -14.64160      20.04790  
1 1 1 46 18 7  o 27.35043 8.478699  -4.579167      6.861602  9.101154       13.72320  -18.25949      13.72320  33.19841 13.39274  21.50245 10.40135  11.69596       16.95740  
1 1 1 46 18 8  o 101.6732 6.400355  112.5589       9.139274  98.50212       18.27855  126.6156       18.27855  94.76044 9.644609  108.5859 8.416633  -13.82544      12.80071  
1 1 1 46 18 9  o 54.80587 15.03106  39.78777       16.96341  39.78777       16.96341  ?              ?         54.80587 15.03106  ?        ?         ?              ?         
1 1 1 46 19 0  o 20.41428 14.02293  -7.271393      17.58286  -7.271393      17.58286  -7.271393      17.58286  20.41428 14.02293  20.41428 14.02293  0.000000       0.000000  
1 1 1 46 19 1  o 35.79948 9.520585  11.83150       6.756773  5.708472       13.51355  17.95453       13.51355  31.50007 13.06946  40.09889 13.84758  -8.598824      19.04117  
1 1 1 46 19 2  o 35.23853 9.233105  7.185624       7.233273  -10.17804      14.46655  24.54929       14.46655  25.00634 11.69258  45.47073 14.29281  -20.46439      18.46621  
1 1 1 46 19 3  o 41.90051 8.445422  13.99004       7.242803  -13.26577      14.48561  41.24585       14.48561  24.01174 11.34084  59.78929 12.51742  -35.77755      16.89084  
1 1 1 46 19 4  o 41.36761 9.772797  18.95518       7.033143  10.74985       14.06629  27.16051       14.06629  34.94896 13.74961  47.78627 13.89167  -12.83731      19.54559  
1 1 1 46 19 5  o 29.53301 9.288156  -0.9434702     7.809838  1.715401       15.61968  -3.602341      15.61968  30.69429 13.42112  28.37173 12.84340  2.322559       18.57631  
1 1 1 46 19 6  o 42.93012 9.878963  21.94760       6.947372  18.35479       13.89474  25.54041       13.89474  39.95111 14.01786  45.90912 13.92391  -5.958008      19.75793  
1 1 1 46 19 7  o 77.65714 7.142202  66.95303       7.781249  58.14256       15.56250  75.76353       15.56250  71.98445 10.80962  83.32983 9.337892  -11.34538      14.28440  
1 1 1 46 19 8  o 33.52596 13.25170  10.62595       13.12282  10.62595       13.12282  ?              ?         33.52596 13.25170  ?        ?         ?              ?         
1 1 1 46 20 0  o 35.30605 18.99797  21.21379       18.31667  21.21379       18.31667  21.21379       18.31667  35.30605 18.99797  35.30605 18.99797  0.000000       0.000000  
1 1 1 46 20 1  o 29.76190 9.135540  0.6289803      7.257098  -4.888892      14.51420  6.146852       14.51420  27.08009 12.30310  32.44371 13.50800  -5.363625      18.27108  
1 1 1 46 20 2  o 26.70416 8.260450  -6.923549      6.637648  8.958203       13.27530  -22.80530      13.27530  33.33615 13.28043  20.07218 9.827015  13.26397       16.52090  
1 1 1 46 20 3  o 28.57457 8.673123  -3.454626      6.980727  11.29305       13.96145  -18.20231      13.96145  35.19242 13.73346  21.95672 10.59643  13.23570       17.34625  
1 1 1 46 20 4  o 30.07657 9.131801  2.449211       7.080793  7.299983       14.16159  -2.401561      14.16159  32.57117 13.43726  27.58197 12.36929  4.989208       18.26360  
1 1 1 46 20 5  o 35.07074 9.577254  10.72602       7.047437  3.068661       14.09487  18.38338       14.09487  30.11051 12.95257  40.03096 14.11121  -9.920446      19.15451  
1 1 1 46 20 6  o 34.18904 13.91451  9.911204       14.98116  9.911204       14.98116  ?              ?         34.18904 13.91451  ?        ?         ?              ?         
1 1 1 46 20 7  o 32.64614 13.59957  7.624003       14.72386  7.624003       14.72386  ?              ?         32.64614 13.59957  ?        ?         ?              ?         
1 1 1 46 20 8  o 57.38942 13.08124  40.97901       14.68574  40.97901       14.68574  ?              ?         57.38942 13.08124  ?        ?         ?              ?         
1 1 1 46 21 0  o 75.76343 14.87513  67.54867       20.09878  67.54867       20.09878  67.54867       20.09878  75.76343 14.87513  75.76343 14.87513  0.000000       0.000000  
1 1 1 46 21 1  o 75.15456 6.985809  62.55971       6.966432  80.04250       13.93286  45.07692       13.93286  87.20542 7.988532  63.10370 11.46253  24.10172       13.97162  
1 1 1 46 21 2  o 100.8521 5.083625  106.6407       7.199918  120.5450       14.39984  92.73647       14.39984  107.7455 6.682339  93.95869 7.662855  13.78680       10.16725  
1 1 1 46 21 3  o 34.59984 9.904175  9.611010       7.590649  13.22765       15.18130  5.994372       15.18130  36.72881 14.32335  32.47087 13.68256  4.257938       19.80835  
1 1 1 46 21 4  o 79.00712 6.697793  67.68686       7.433403  59.32427       14.86681  76.04943       14.86681  73.71482 10.08400  84.29942 8.817859  -10.58459      13.39559  
1 1 1 46 21 5  o 27.49266 12.51505  -4.250381      15.18130  -4.250381      15.18130  ?              ?         27.49266 12.51505  ?        ?         ?              ?         
1 1 1 46 21 6  o 32.04377 13.72448  5.384452       15.70545  5.384452       15.70545  ?              ?         32.04377 13.72448  ?        ?         ?              ?         
1 1 1 46 21 7  o 42.37875 14.93245  22.51940       15.78169  22.51940       15.78169  ?              ?         42.37875 14.93245  ?        ?         ?              ?         
1 1 1 46 22 0  o 46.70876 21.19371  36.79535       21.23285  36.79535       21.23285  36.79535       21.23285  46.70876 21.19371  46.70876 21.19371  0.000000       0.000000  
1 1 1 46 22 1  o 29.27898 8.725969  -3.974012      7.171328  14.83822       14.34266  -22.78624      14.34266  37.49860 14.09713  21.05937 10.28790  16.43923       17.45194  
1 1 1 46 22 2  o 114.6072 5.051596  140.4008       7.867019  97.63490       15.73404  183.1667       15.73404  95.94957 8.199119  133.2648 5.903300  -37.31520      10.10319  
1 1 1 46 22 3  o 46.10514 14.68647  26.12174       15.22895  26.12174       15.22895  ?              ?         46.10514 14.68647  ?        ?         ?              ?         
1 1 1 46 22 4  o 32.88952 13.77641  7.319043       15.23848  7.319043       15.23848  ?              ?         32.88952 13.77641  ?        ?         ?              ?         
1 1 1 46 22 5  o 52.21364 14.83387  34.82264       16.22007  34.82264       16.22007  ?              ?         52.21364 14.83387  ?        ?         ?              ?         
1 1 1 46 22 6  f 30.38508 13.29782  2.582631       15.36237  2.582631       15.36237  ?              ?         30.38508 13.29782  ?        ?         ?              ?         
1 1 1 46 22 7  o 50.38808 14.87042  34.91793       16.00088  34.91793       16.00088  ?              ?         50.38808 14.87042  ?        ?         ?              ?         
1 1 1 46 23 0  o 67.77235 18.37627  60.30586       21.49016  60.30586       21.49016  60.30586       21.49016  67.77235 18.37627  67.77235 18.37627  0.000000       0.000000  
1 1 1 46 23 1  f 140.4128 4.054140  203.3750       8.043323  193.7926       16.08665  212.9575       16.08665  137.0005 5.871017  143.8250 5.592438  -6.824463      8.108280  
1 1 1 46 23 2  o 58.64150 9.735998  42.49429       8.110033  30.31494       16.22007  54.67363       16.22007  48.91279 15.08645  68.37021 12.31087  -19.45742      19.47200  
1 1 1 46 23 3  o 24.66988 11.76149  -14.25689      15.93417  -14.25689      15.93417  ?              ?         24.66988 11.76149  ?        ?         ?              ?         
1 1 1 46 23 4  o 27.59424 12.64676  -5.289153      15.90558  -5.289153      15.90558  ?              ?         27.59424 12.64676  ?        ?         ?              ?         
1 1 1 46 23 5  f 32.75184 14.14233  5.413042       16.92529  5.413042       16.92529  ?              ?         32.75184 14.14233  ?        ?         ?              ?         
1 1 1 46 23 6  o 44.43159 15.60025  27.03662       17.21119  27.03662       17.21119  ?              ?         44.43159 15.60025  ?        ?         ?              ?         
1 1 1 46 24 1  o 57.84972 9.716769  41.78907       8.024263  54.13995       16.04853  29.43818       16.04853  67.77451 12.29225  47.92492 15.05201  19.84958       19.43354  
1 1 1 46 24 2  o 115.2821 5.448443  141.3109       8.862904  151.5842       17.72581  131.0376       17.72581  119.7379 7.401922  110.8264 7.997106  8.911484       10.89689  
1 1 1 46 24 3  o 45.67844 15.57095  26.66495       17.05871  26.66495       17.05871  ?              ?         45.67844 15.57095  ?        ?         ?              ?         
1 1 1 46 24 4  o 29.28064 13.28245  -2.353911      16.79187  -2.353911      16.79187  ?              ?         29.28064 13.28245  ?        ?         ?              ?         
1 1 1 46 25 1  o 45.98406 15.36073  27.09380       16.60127  27.09380       16.60127  ?              ?         45.98406 15.36073  ?        ?         ?              ?         
1 1 1 46 25 2  o 40.08987 15.29843  18.75505       17.08730  18.75505       17.08730  ?              ?         40.08987 15.29843  ?        ?         ?              ?         
1 1 1 46 25 3  o 25.15380 12.03183  -15.13365      17.03012  -15.13365      17.03012  ?              ?         25.15380 12.03183  ?        ?         ?              ?         
1 1 1 46 25 4  o 44.95334 15.37397  28.26599       16.62986  28.26599       16.62986  ?              ?         44.95334 15.37397  ?        ?         ?              ?         
1 1 1 46 26 2  o 60.03904 8.942631  47.33076       8.114799  75.75401       16.22960  18.90753       16.22960  81.50197 9.956568  38.57611 14.85764  42.92586       17.88526  
1 1 1 46 26 3  o 39.53022 15.02247  22.41457       16.42020  22.41457       16.42020  ?              ?         39.53022 15.02247  ?        ?         ?              ?         
1 1 1 47 0  1  o 104.1917 7.684203  111.8822       15.83887  111.8822       15.83887  111.8822       15.83887  104.1917 7.684203  104.1917 7.684203  0.000000       0.000000  
1 1 1 47 0  2  o 140.9278 5.495650  201.0164       15.43861  201.0164       15.43861  201.0164       15.43861  140.9278 5.495650  140.9278 5.495650  0.000000       0.000000  
1 1 1 47 0  3  o 94.14994 7.880398  91.87877       14.63809  91.87877       14.63809  91.87877       14.63809  94.14994 7.880398  94.14994 7.880398  0.000000       0.000000  
1 1 1 47 0  4  o 107.3963 9.729548  120.9548       20.57528  120.9548       20.57528  120.9548       20.57528  107.3963 9.729548  107.3963 9.729548  0.000000       0.000000  
1 1 1 47 0  5  o 14.53056 10.72956  -42.32275      18.86941  -42.32275      18.86941  -42.32275      18.86941  14.53056 10.72956  14.53056 10.72956  0.000000       0.000000  
1 1 1 47 0  6  o 24.93314 16.55709  -0.5050902     20.95648  -0.5050902     20.95648  -0.5050902     20.95648  24.93314 16.55709  24.93314 16.55709  0.000000       0.000000  
1 1 1 47 0  7  o 67.62424 18.34266  58.46657       21.40439  58.46657       21.40439  58.46657       21.40439  67.62424 18.34266  67.62424 18.34266  0.000000       0.000000  
1 1 1 47 0  8  o 32.86200 19.98367  16.01041       24.02514  16.01041       24.02514  16.01041       24.02514  32.86200 19.98367  32.86200 19.98367  0.000000       0.000000  
1 1 1 47 0  9  o 36.38279 21.24751  22.66235       25.24498  22.66235       25.24498  22.66235       25.24498  36.38279 21.24751  36.38279 21.24751  0.000000       0.000000  
1 1 1 47 1  0  o 23.67562 15.13946  3.345031       15.51485  3.345031       15.51485  3.345031       15.51485  23.67562 15.13946  23.67562 15.13946  0.000000       0.000000  
1 1 1 47 1  1  o 104.6735 3.711003  111.2437       5.479752  120.1733       10.95950  102.3141       10.95950  108.9389 5.030113  100.4080 5.457484  8.530922       7.422006  
1 1 1 47 1  2  o 35.24899 8.696567  12.42712       5.341567  12.46525       10.68313  12.38900       10.68313  35.28397 12.29997  35.21400 12.29763  0.6996918E-01  17.39313  
1 1 1 47 1  3  o 106.8169 3.324343  115.5370       5.012782  123.4421       10.02556  107.6319       10.02556  110.5172 4.535748  103.1166 4.861278  7.400650       6.648686  
1 1 1 47 1  4  o 39.40310 9.066915  15.84363       6.161148  24.33010       12.32230  7.357163       12.32230  46.53988 12.83157  32.26633 12.81353  14.27354       18.13383  
1 1 1 47 1  5  o 38.29979 7.803327  5.751357       6.666237  35.75658       13.33247  -24.25386      13.33247  56.57368 12.13359  20.02589 9.815475  36.54778       15.60665  
1 1 1 47 1  6  f 107.4696 4.407770  118.3960       6.694828  123.1848       13.38966  113.6072       13.38966  109.6976 6.102987  105.2416 6.361391  4.455994       8.815540  
1 1 1 47 1  7  o 91.20202 5.717774  87.09470       7.323808  98.39729       14.64762  75.79211       14.64762  97.39848 7.519428  85.00556 8.615681  12.39291       11.43555  
1 1 1 47 1  8  o 55.69940 9.169382  36.34743       8.067148  13.03705       16.13430  59.65782       16.13430  37.50545 14.73510  73.89335 10.91729  -36.38790      18.33876  
1 1 1 47 1  9  o 56.53606 8.347128  37.48151       7.709774  4.803122       15.41955  70.15989       15.41955  32.25572 13.69997  80.81639 9.539864  -48.56067      16.69426  
1 1 1 47 1  10 o 43.95757 15.57952  23.38663       17.20166  23.38663       17.20166  ?              ?         43.95757 15.57952  ?        ?         ?              ?         
1 1 1 47 1  11 o 37.54038 15.23488  13.71367       17.90688  13.71367       17.90688  ?              ?         37.54038 15.23488  ?        ?         ?              ?         
1 1 1 47 2  0  o 57.06949 15.95730  40.87419       15.74357  40.87419       15.74357  40.87419       15.74357  57.06949 15.95730  57.06949 15.95730  0.000000       0.000000  
1 1 1 47 2  1  o 138.6042 2.997741  193.8546       5.875248  197.5189       11.75050  190.1903       11.75050  139.9260 4.198824  137.2823 4.279683  2.643707       5.995483  
1 1 1 47 2  2  o 56.54228 7.102640  34.31278       5.508343  39.81636       11.01669  28.80920       11.01669  61.86769 8.903423  51.21687 11.06883  10.65081       14.20528  
1 1 1 47 2  3  o 50.54714 7.269886  27.84667       5.017547  30.54366       10.03509  25.14968       10.03509  53.21977 9.794853  47.87452 10.74550  5.345249       14.53977  
1 1 1 47 2  4  o 129.6869 4.105820  171.3495       7.519173  160.7998       15.03835  181.8992       15.03835  125.6195 5.985672  133.7543 5.621632  -8.134750      8.211639  
1 1 1 47 2  5  o 81.67055 5.731413  70.19324       6.451812  87.62839       12.90362  52.75810       12.90362  92.34462 6.986669  70.99648 9.087511  21.34814       11.46283  
1 1 1 47 2  6  o 121.0367 4.754767  150.9981       8.114799  164.0018       16.22960  137.9945       16.22960  126.4085 6.419503  115.6649 7.015782  10.74359       9.509534  
1 1 1 47 2  7  o 68.10664 8.257763  52.48649       7.495348  70.21706       14.99070  34.75592       14.99070  81.55762 9.190249  54.65566 13.72231  26.90196       16.51553  
1 1 1 47 2  8  o 99.52200 5.554756  104.0629       7.786013  114.4268       15.57203  93.69900       15.57203  104.7288 7.434451  94.31518 8.255313  10.41365       11.10951  
1 1 1 47 2  9  o 120.7960 5.046801  152.1942       8.605594  141.9494       17.21119  162.4389       17.21119  116.5555 7.383258  125.0365 6.882463  -8.481033      10.09360  
1 1 1 47 2  10 o 41.18157 16.03537  18.60257       19.01236  18.60257       19.01236  ?              ?         41.18157 16.03537  ?        ?         ?              ?         
1 1 1 47 3  0  o 199.1671 5.237950  400.2125       20.83259  400.2125       20.83259  400.2125       20.83259  199.1671 5.237950  199.1671 5.237950  0.000000       0.000000  
1 1 1 47 3  1  o 78.96390 4.766718  63.95586       5.298682  70.85558       10.59736  57.05613       10.59736  83.33281 6.358459  74.59499 7.103268  8.737816       9.533437  
1 1 1 47 3  2  o 81.19865 4.893114  68.28249       5.517872  82.76808       11.03574  53.79687       11.03574  90.11852 6.122907  72.27880 7.634151  17.83971       9.786227  
1 1 1 47 3  3  o 124.7060 3.114640  157.2451       5.484517  147.2576       10.96903  167.2325       10.96903  120.7016 4.543864  128.7104 4.261129  -8.008797      6.229279  
1 1 1 47 3  4  o 109.1152 4.332349  121.4408       6.685298  120.9357       13.37060  121.9459       13.37060  108.8838 6.139848  109.3467 6.113857  -0.4628906     8.664698  
1 1 1 47 3  5  o 137.0441 3.944777  191.1957       7.643063  185.8827       15.28613  196.5087       15.28613  135.1057 5.657100  138.9825 5.499299  -3.876831      7.889554  
1 1 1 47 3  6  o 32.33924 8.764968  2.568336       6.709123  -14.61903      13.41825  19.75570       13.41825  22.65079 10.79750  42.02769 13.80987  -19.37689      17.52994  
1 1 1 47 3  7  o 82.81207 6.603973  72.71393       7.695479  64.78497       15.39096  80.64289       15.39096  78.02474 9.862870  87.59940 8.784854  -9.574654      13.20795  
1 1 1 47 3  8  o 31.37580 9.775300  0.2334852      8.476938  -2.811351      16.95388  3.278321       16.95388  30.05355 13.50437  32.69804 14.13712  -2.644485      19.55060  
1 1 1 47 3  9  o 58.19532 10.24677  41.14103       8.410229  39.80683       16.82046  42.47523       16.82046  57.12179 14.65288  59.26885 14.32754  -2.147057      20.49354  
1 1 1 47 3  10 o 90.07758 8.002600  90.97819       10.17328  97.01543       20.34656  84.94093       20.34656  93.42873 10.88881  86.72644 11.73031  6.702286       16.00520  
1 1 1 47 4  0  o 104.4130 7.973338  112.6256       16.45832  112.6256       16.45832  112.6256       16.45832  104.4130 7.973338  104.4130 7.973338  0.000000       0.000000  
1 1 1 47 4  1  o 66.41719 5.871357  45.66301       5.513107  44.38123       11.02621  46.94480       11.02621  65.45224 8.423100  67.38213 8.181853  -1.929893      11.74271  
1 1 1 47 4  2  o 30.78243 8.080976  7.309513       4.941307  1.391381       9.882613  13.22765       9.882613  25.93101 10.98855  35.63385 11.85161  -9.702847      16.16195  
1 1 1 47 4  3  o 113.9028 3.288523  131.2615       5.293917  125.9485       10.58783  136.5745       10.58783  111.5706 4.744905  116.2350 4.554493  -4.664482      6.577046  
1 1 1 47 4  4  o 36.08400 9.209328  9.515709       6.804423  -3.554691      13.60885  22.58611       13.60885  27.28325 12.18310  44.88474 13.81372  -17.60149      18.41866  
1 1 1 47 4  5  f 105.6250 5.019372  115.0033       7.481052  106.4025       14.96210  123.6041       14.96210  101.5536 7.366608  109.6964 6.819783  -8.142784      10.03874  
1 1 1 47 4  6  o 41.32623 9.840221  17.18260       7.461993  29.50489       14.92399  4.860302       14.92399  50.22782 14.21582  32.42463 13.60994  17.80320       19.68044  
1 1 1 47 4  7  o 30.50178 9.282060  0.1286547      7.514408  -7.948023      15.02882  8.205333       15.02882  26.64445 12.24568  34.35912 13.95241  -7.714668      18.56412  
1 1 1 47 4  8  o 34.16005 9.246542  1.844056       7.743128  -20.96601      15.48626  24.65412       15.48626  22.81955 11.04034  45.50055 14.83594  -22.68100      18.49308  
1 1 1 47 4  9  o 34.17205 14.64605  5.575052       17.90688  5.575052       17.90688  ?              ?         34.17205 14.64605  ?        ?         ?              ?         
1 1 1 47 4  10 o 35.91692 15.46265  7.576353       20.11784  7.576353       20.11784  ?              ?         35.91692 15.46265  ?        ?         ?              ?         
1 1 1 47 4  11 o 51.57258 15.97679  35.13712       18.16419  35.13712       18.16419  ?              ?         51.57258 15.97679  ?        ?         ?              ?         
1 1 1 47 5  0  o 34.37695 17.47231  18.85035       14.88587  18.85035       14.88587  18.85035       14.88587  34.37695 17.47231  34.37695 17.47231  0.000000       0.000000  
1 1 1 47 5  1  o 78.88577 5.380280  66.09534       5.689413  42.65630       11.37883  89.53439       11.37883  64.02944 8.885620  93.74209 6.069219  -29.71265      10.76056  
1 1 1 47 5  2  o 117.4644 3.668348  139.9672       6.089673  134.0681       12.17935  145.8662       12.17935  114.9533 5.297516  119.9754 5.075769  -5.022011      7.336697  
1 1 1 47 5  3  o 48.54150 7.392668  25.86443       4.936542  21.66170       9.873084  30.06716       9.873084  44.27626 11.14841  52.80675 9.711803  -8.530491      14.78534  
1 1 1 47 5  4  o 124.0216 4.180207  157.1545       7.299983  173.7129       14.59997  140.5962       14.59997  130.6972 5.585415  117.3460 6.220904  13.35121       8.360414  
1 1 1 47 5  5  o 52.34199 9.130540  31.44425       6.985494  43.23763       13.97099  19.65087       13.97099  62.48035 11.61459  42.20363 14.09142  20.27672       18.26108  
1 1 1 47 5  6  o 70.81961 7.974300  55.44080       7.643063  44.05721       15.28613  66.82439       15.28613  62.27745 12.71252  79.36176 9.630661  -17.08431      15.94860  
1 1 1 47 5  7  o 69.21953 8.338947  53.55385       7.828898  42.01779       15.65780  65.08993       15.65780  60.35977 13.32720  78.07928 10.02686  -17.71952      16.67789  
1 1 1 47 5  8  o 76.43542 8.121874  67.21511       8.024263  92.92706       16.04853  41.50317       16.04853  93.71744 8.562188  59.15340 13.80392  34.56403       16.24375  
1 1 1 47 5  9  o 101.8134 6.094410  110.5099       8.762838  116.8378       17.52568  104.1820       17.52568  104.9211 8.351840  98.70583 8.877730  6.215218       12.18882  
1 1 1 47 5  10 o 39.80639 15.12081  17.81158       16.62986  17.81158       16.62986  ?              ?         39.80639 15.12081  ?        ?         ?              ?         
1 1 1 47 6  0  o 20.79270 14.05493  -4.888892      16.51550  -4.888892      16.51550  -4.888892      16.51550  20.79270 14.05493  20.79270 14.05493  0.000000       0.000000  
1 1 1 47 6  1  o 91.79971 4.576684  87.16141       5.822832  67.62491       11.64566  106.6979       11.64566  81.15887 7.174610  102.4405 5.684110  -21.28166      9.153367  
1 1 1 47 6  2  o 62.44989 6.593253  41.77954       5.546463  51.43343       11.09293  32.12564       11.09293  70.58533 7.857811  54.31445 10.58956  16.27088       13.18651  
1 1 1 47 6  3  o 40.93118 8.397463  18.46438       5.170027  16.10571       10.34005  20.82306       10.34005  38.53945 12.07755  43.32291 11.67057  -4.783455      16.79493  
1 1 1 47 6  4  o 76.30543 6.844482  63.83673       6.752007  40.49299       13.50401  87.18047       13.50401  60.60741 11.55547  92.00344 7.338864  -31.39603      13.68896  
1 1 1 47 6  5  o 42.87131 9.641710  20.46092       6.709123  25.55947       13.41825  15.36237       13.41825  47.18799 13.51955  38.55463 13.75034  8.633362       19.28342  
1 1 1 47 6  6  o 58.74507 9.142958  39.49710       7.390518  39.21596       14.78104  39.77823       14.78104  58.51107 12.97390  58.97907 12.88614  -0.4679947     18.28592  
1 1 1 47 6  7  o 77.72810 7.261482  64.87074       7.976613  62.27858       15.95323  67.46290       15.95323  76.06065 10.48717  79.39556 10.04667  -3.334908      14.52296  
1 1 1 47 6  8  o 116.4156 4.637206  140.1053       7.633533  142.6356       15.26707  137.5751       15.26707  117.5023 6.496499  115.3288 6.618928  2.173424       9.274411  
1 1 1 47 6  9  o 140.0072 4.758695  204.6950       9.363228  230.0543       18.72646  179.3356       18.72646  149.0637 6.281362  130.9508 7.150188  18.11287       9.517389  
1 1 1 47 6  10 o 146.3211 4.471774  223.0402       9.239339  209.4028       18.47868  236.6776       18.47868  141.6610 6.522147  150.9812 6.119528  -9.320221      8.943547  
1 1 1 47 7  0  o 54.71283 16.34828  38.51075       15.55297  38.51075       15.55297  38.51075       15.55297  54.71283 16.34828  54.71283 16.34828  0.000000       0.000000  
1 1 1 47 7  1  o 94.26702 4.235895  90.82094       5.617938  80.39511       11.23588  101.2468       11.23588  88.73708 6.330992  99.79696 5.629367  -11.05988      8.471790  
1 1 1 47 7  2  o 221.8598 2.512175  496.1130       7.867019  460.9091       15.73404  531.3168       15.73404  213.9260 3.677449  229.7936 3.423515  -15.86761      5.024350  
1 1 1 47 7  3  o 111.2195 3.465553  125.3624       5.446397  119.5539       10.89279  131.1710       10.89279  108.6082 5.014720  113.8308 4.784644  -5.222588      6.931106  
1 1 1 47 7  4  o 58.83120 7.827430  40.67882       6.609057  10.83561       13.21811  70.52203       13.21811  35.19415 13.44803  82.46825 8.014064  -47.27410      15.65486  
1 1 1 47 7  5  o 66.89026 7.384650  47.85015       6.985494  48.21229       13.97099  47.48801       13.97099  67.16095 10.40112  66.61956 10.48565  0.5413895      14.76930  
1 1 1 47 7  6  o 133.8444 4.126188  183.4430       7.790778  198.0525       15.58156  168.8336       15.58156  139.3020 5.592723  128.3868 6.068209  10.91527       8.252377  
1 1 1 47 7  7  o 44.13579 9.649711  19.96536       7.833663  1.229370       15.66733  38.70134       15.66733  30.93436 13.48450  57.33722 13.80710  -26.40286      19.29942  
1 1 1 47 7  8  o 41.63779 10.63964  18.34049       8.376874  27.30346       16.75375  9.377523       16.75375  47.56707 15.42965  35.70852 14.65381  11.85855       21.27929  
1 1 1 47 7  9  o 70.37381 9.232037  59.36240       8.772368  81.33858       17.54474  37.38620       17.54474  86.26006 10.16968  54.48756 15.41102  31.77250       18.46407  
1 1 1 47 7  10 o 33.35097 14.32434  6.204032       17.19213  6.204032       17.19213  ?              ?         33.35097 14.32434  ?        ?         ?              ?         
1 1 1 47 8  0  o 16.69249 11.96061  -19.92724      16.68704  -19.92724      16.68704  -19.92724      16.68704  16.69249 11.96061  16.69249 11.96061  0.000000       0.000000  
1 1 1 47 8  1  o 84.18085 4.913645  72.69487       5.846657  75.32516       11.69331  70.06459       11.69331  85.74313 6.818806  82.61857 7.076687  3.124557       9.827290  
1 1 1 47 8  2  o 56.69477 7.495777  34.84169       5.841892  41.11243       11.68378  28.57095       11.68378  62.68161 9.319946  50.70793 11.74246  11.97368       14.99155  
1 1 1 47 8  3  o 44.54366 7.760098  21.17567       5.594112  6.556643       11.18822  35.79469       11.18822  30.72323 12.20685  58.36408 9.584854  -27.64085      15.52020  
1 1 1 47 8  4  o 48.11227 9.310627  26.43623       6.528053  28.02774       13.05611  24.84472       13.05611  49.56578 13.00689  46.65876 13.32562  2.907021       18.62125  
1 1 1 47 8  5  o 71.22624 7.689605  56.52246       7.223743  74.48651       14.44749  38.55840       14.44749  84.31070 8.568003  58.14179 12.77143  26.16891       15.37921  
1 1 1 47 8  6  o 36.51998 10.03229  9.515709       7.938493  20.36562       15.87699  -1.334201      15.87699  42.88601 14.99045  30.15395 13.33693  12.73207       20.06458  
1 1 1 47 8  7  o 44.92706 10.49983  23.72971       7.819368  20.14643       15.63874  27.31299       15.63874  42.15736 14.86364  47.69676 14.83436  -5.539402      20.99967  
1 1 1 47 8  8  o 29.64863 9.331112  -2.210961      7.990908  -7.414343      15.98182  2.992421       15.98182  27.46004 12.62366  31.83722 13.74488  -4.377172      18.66222  
1 1 1 47 8  9  o 29.60081 13.42979  -3.630931      17.17307  -3.630931      17.17307  ?              ?         29.60081 13.42979  ?        ?         ?              ?         
1 1 1 47 8  10 o 86.16379 7.676792  83.41612       9.353699  82.31065       18.70740  84.52161       18.70740  85.52229 10.93715  86.80528 10.77550  -1.282997      15.35358  
1 1 1 47 9  0  o 41.33178 18.41701  26.39811       16.02947  26.39811       16.02947  26.39811       16.02947  41.33178 18.41701  41.33178 18.41701  0.000000       0.000000  
1 1 1 47 9  1  o 38.58693 7.478544  10.00174       5.965783  34.42237       11.93157  -14.41890      11.93157  56.05263 11.03629  21.12123 10.09529  34.93140       14.95709  
1 1 1 47 9  2  o 34.47136 8.754352  11.23588       5.532167  15.07647       11.06433  7.395282       11.06433  37.70159 12.54019  31.24113 12.21877  6.460463       17.50870  
1 1 1 47 9  3  o 28.97162 8.287896  3.568987       5.522637  -2.897121      11.04527  10.03509       11.04527  24.70212 11.00463  33.24113 12.39577  -8.539005      16.57579  
1 1 1 47 9  4  o 59.82856 8.336905  40.32621       6.861602  53.30132       13.72320  27.35111       13.72320  70.95558 9.670280  48.70155 13.58314  22.25404       16.67381  
1 1 1 47 9  5  o 26.32476 8.348613  -3.807236      6.485168  -1.029240      12.97034  -6.585233      12.97034  27.59338 12.14627  25.05614 11.45711  2.537233       16.69723  
1 1 1 47 9  6  o 30.78831 9.433794  1.124541       7.638299  4.193202       15.27660  -1.944121      15.27660  32.27031 13.66785  29.30632 13.00676  2.963989       18.86759  
1 1 1 47 9  7  o 81.78143 7.229314  72.58051       8.324459  79.82330       16.64892  65.33770       16.64892  86.20957 9.656072  77.35329 10.76161  8.856285       14.45863  
1 1 1 47 9  8  o 120.7724 4.986276  153.1233       8.395933  124.7096       16.79187  181.5370       16.79187  109.0091 7.702048  132.5358 6.334844  -23.52665      9.972552  
1 1 1 47 9  9  o 78.75061 7.858262  69.16877       8.710423  62.20234       17.42085  76.13520       17.42085  74.32751 11.71898  83.17371 10.47257  -8.846199      15.71652  
1 1 1 47 9  10 o 86.49694 7.643032  84.46918       9.186924  100.6273       18.37385  68.31107       18.37385  95.83723 9.585966  77.15665 11.90685  18.68057       15.28606  
1 1 1 47 10 0  o 94.96497 9.279507  94.80448       17.31602  94.80448       17.31602  94.80448       17.31602  94.96497 9.279507  94.96497 9.279507  0.000000       0.000000  
1 1 1 47 10 1  o 79.26653 5.297422  64.82786       5.932428  61.57335       11.86486  68.08235       11.86486  77.21364 7.683134  81.31941 7.295217  -4.105774      10.59484  
1 1 1 47 10 2  o 76.48195 5.589365  61.55906       5.880013  77.45034       11.76003  45.66778       11.76003  86.87086 6.768683  66.09303 8.896569  20.77782       11.17873  
1 1 1 47 10 3  o 29.26183 8.507992  3.287852       5.875248  9.167863       11.75050  -2.592161      11.75050  32.91648 12.64991  25.60717 11.38084  7.309311       17.01598  
1 1 1 47 10 4  o 68.03185 6.710444  53.08212       5.594112  80.92879       11.18822  25.23545       11.18822  88.82277 6.298061  47.24092 11.85136  41.58185       13.42089  
1 1 1 47 10 5  o 83.90646 5.820702  73.75747       6.871132  65.47113       13.74226  82.04381       13.74226  78.96862 8.701093  88.84430 7.733904  -9.875679      11.64140  
1 1 1 47 10 6  f 70.39286 9.054743  58.79060       8.529353  30.46742       17.05871  87.11376       17.05871  50.29028 15.46349  90.49544 9.425175  -40.20515      18.10949  
1 1 1 47 10 7  o 68.58399 8.929292  54.10660       8.367344  66.14775       16.73469  42.06544       16.73469  77.88261 10.74353  59.28538 14.26553  18.59723       17.85858  
1 1 1 47 10 8  o 58.81724 9.753847  42.03208       8.114799  30.77238       16.22960  53.29178       16.22960  49.81060 15.03664  67.82388 12.42778  -18.01328      19.50769  
1 1 1 47 10 9  o 30.81256 13.69926  0.1524801      17.03965  0.1524801      17.03965  ?              ?         30.81256 13.69926  ?        ?         ?              ?         
1 1 1 47 10 10 o 34.89928 14.46448  9.949325       16.52503  9.949325       16.52503  ?              ?         34.89928 14.46448  ?        ?         ?              ?         
1 1 1 47 11 0  o 39.72784 19.37148  25.66430       17.97359  25.66430       17.97359  25.66430       17.97359  39.72784 19.37148  39.72784 19.37148  0.000000       0.000000  
1 1 1 47 11 1  o 170.7002 2.812991  294.3770       6.780598  275.9794       13.56120  312.7747       13.56120  165.3113 4.101715  176.0891 3.850664  -10.77777      5.625983  
1 1 1 47 11 2  o 89.36948 4.610917  81.93897       5.827598  82.21534       11.65520  81.66261       11.65520  89.52409 6.509530  89.21485 6.532094  0.3092422      9.221834  
1 1 1 47 11 3  o 27.56044 8.275342  -2.596926      6.208797  9.739664       12.41759  -14.93352      12.41759  33.70139 12.99282  21.41949 10.25240  12.28190       16.55068  
1 1 1 47 11 4  o 32.30385 8.519001  7.681183       5.670352  -1.162660      11.34070  16.52503       11.34070  25.82415 11.36261  38.78354 12.69585  -12.95938      17.03800  
1 1 1 47 11 5  o 89.49266 5.890784  84.78368       7.295218  104.0390       14.59044  65.52830       14.59044  100.2507 7.276972  78.73459 9.265583  21.51614       11.78157  
1 1 1 47 11 6  o 51.04739 9.421915  30.78668       6.999787  38.03425       13.99957  23.53911       13.99957  57.37683 12.54500  44.71795 14.06104  12.65887       18.84383  
1 1 1 47 11 7  o 35.40300 9.681339  5.961017       7.986144  -11.84580      15.97229  23.76783       15.97229  25.93656 12.16143  44.86945 15.06695  -18.93288      19.36268  
1 1 1 47 11 8  f 48.64401 15.82119  29.77173       17.61145  29.77173       17.61145  ?              ?         48.64401 15.82119  ?        ?         ?              ?         
1 1 1 47 11 9  o 30.95760 13.86901  -0.2859001     17.76393  -0.2859001     17.76393  ?              ?         30.95760 13.86901  ?        ?         ?              ?         
1 1 1 47 12 0  o 25.33507 16.04885  5.270092       17.07777  5.270092       17.07777  5.270092       17.07777  25.33507 16.04885  25.33507 16.04885  0.000000       0.000000  
1 1 1 47 12 1  o 116.4409 4.242063  138.8665       6.966432  127.2923       13.93286  150.4406       13.93286  111.4709 6.249553  121.4109 5.737898  -9.939980      8.484126  
1 1 1 47 12 2  o 87.85982 5.207089  79.90909       6.466108  76.84042       12.93222  82.97775       12.93222  86.11348 7.508821  89.60616 7.216142  -3.492676      10.41418  
1 1 1 47 12 3  o 35.41652 8.863544  12.62249       5.632232  9.196454       11.26446  16.04853       11.26446  32.49984 12.41566  38.33320 12.65310  -5.833366      17.72709  
1 1 1 47 12 4  o 76.75307 5.595857  62.85037       5.813303  82.94917       11.62661  42.75160       11.62661  89.84621 6.470281  63.65992 9.131809  26.18629       11.19171  
1 1 1 47 12 5  o 54.45329 9.309216  34.67968       7.247568  24.72083       14.49514  44.63854       14.49514  45.97731 14.27808  62.92926 11.94916  -16.95195      18.61843  
1 1 1 47 12 6  o 87.80394 6.085410  81.91039       7.504878  92.32668       15.00976  71.49409       15.00976  93.73551 8.006441  81.87238 9.166557  11.86314       12.17082  
1 1 1 47 12 7  o 34.93396 14.58698  8.024263       17.00153  8.024263       17.00153  ?              ?         34.93396 14.58698  ?        ?         ?              ?         
1 1 1 47 12 8  o 38.65653 15.07985  15.30519       16.82999  15.30519       16.82999  ?              ?         38.65653 15.07985  ?        ?         ?              ?         
1 1 1 47 12 9  f 36.11094 15.19272  10.35911       18.66928  10.35911       18.66928  ?              ?         36.11094 15.19272  ?        ?         ?              ?         
1 1 1 47 13 0  o 17.82644 12.75511  -21.09943      18.79317  -21.09943      18.79317  -21.09943      18.79317  17.82644 12.75511  17.82644 12.75511  0.000000       0.000000  
1 1 1 47 13 1  o 59.85235 7.854088  40.96472       6.337452  59.58158       12.67490  22.34786       12.67490  75.46954 8.397366  44.23516 13.27520  31.23437       15.70818  
1 1 1 47 13 2  o 57.48209 8.111702  36.89541       6.361277  37.73882       12.72255  36.05200       12.72255  58.22871 11.32889  56.73547 11.61272  1.493244       16.22340  
1 1 1 47 13 3  f 89.15229 4.976964  82.58225       6.208797  95.93855       12.41759  69.22595       12.41759  96.64301 6.424466  81.66157 7.603085  14.98145       9.953927  
1 1 1 47 13 4  o 45.41678 9.017405  23.62488       6.103968  19.14578       12.20794  28.10398       12.20794  41.23463 13.15079  49.59892 12.34144  -8.364292      18.03481  
1 1 1 47 13 5  o 33.95343 8.839121  9.153569       6.161148  19.66040       12.32230  -1.353261      12.32230  41.36450 13.21427  26.54237 11.74323  14.82213       17.67824  
1 1 1 47 13 6  o 40.63553 9.900791  18.35479       7.004553  23.11026       14.00911  13.59931       14.00911  44.34820 14.08186  36.92286 13.92135  7.425335       19.80158  
1 1 1 47 13 7  o 42.97557 10.20408  21.80465       7.438168  16.70610       14.87634  26.90320       14.87634  39.02349 14.41875  46.92765 14.44274  -7.904160      20.40816  
1 1 1 47 13 8  o 88.20103 7.313787  85.75098       9.120214  83.58766       18.24043  87.91428       18.24043  86.97468 10.48606  89.42738 10.19846  -2.452698      14.62757  
1 1 1 47 13 9  o 85.61157 7.567899  82.06286       9.148804  86.72303       18.29761  77.40269       18.29761  88.33327 10.35714  82.88988 11.03730  5.443390       15.13580  
1 1 1 47 14 0  o 31.03303 18.34798  14.20924       19.20296  14.20924       19.20296  14.20924       19.20296  31.03303 18.34798  31.03303 18.34798  0.000000       0.000000  
1 1 1 47 14 1  o 102.6887 4.564041  108.3943       6.623353  103.8008       13.24671  112.9877       13.24671  100.4520 6.593546  104.9253 6.312449  -4.473206      9.128081  
1 1 1 47 14 2  o 62.26343 7.745949  42.94696       6.542348  53.39661       13.08470  32.49731       13.08470  71.11791 9.199297  53.40895 12.46483  17.70897       15.49190  
1 1 1 47 14 3  o 153.8712 3.493904  241.2664       7.571588  266.1254       15.14318  216.4073       15.14318  161.9490 4.675291  145.7933 5.193372  16.15573       6.987807  
1 1 1 47 14 4  o 84.52825 5.835259  75.52528       6.899723  87.71416       13.79945  63.33640       13.79945  91.73819 7.521102  77.31831 8.923789  14.41988       11.67052  
1 1 1 47 14 5  o 29.51976 8.670938  -2.401561      6.899723  14.68574       13.79945  -19.48886      13.79945  37.58567 13.88715  21.45384 10.38690  16.13183       17.34188  
1 1 1 47 14 6  o 45.76727 9.039785  19.17913       8.214863  49.21294       16.42973  -10.85467      16.42973  64.92837 13.11135  26.60617 12.44843  38.32220       18.07957  
1 1 1 47 14 7  o 29.69063 9.208411  0.8005202      7.452463  -1.829761      14.90493  3.430801       14.90493  28.45723 12.72755  30.92404 13.31123  -2.466806      18.41682  
1 1 1 47 14 8  o 30.00888 13.48124  -1.048300      16.88717  -1.048300      16.88717  ?              ?         30.00888 13.48124  ?        ?         ?              ?         
1 1 1 47 15 0  o 32.96972 18.53019  17.51615       18.26902  17.51615       18.26902  17.51615       18.26902  32.96972 18.53019  32.96972 18.53019  0.000000       0.000000  
1 1 1 47 15 1  o 152.5331 3.481720  236.4346       7.509643  232.2081       15.01929  240.6612       15.01929  151.1477 4.968414  153.9186 4.878971  -2.770920      6.963440  
1 1 1 47 15 2  o 55.10085 8.648155  34.63680       6.823483  22.23350       13.64697  47.04010       13.64697  43.98233 13.89181  66.21937 10.30436  -22.23704      17.29631  
1 1 1 47 15 3  o 103.2927 4.866891  110.4528       7.109383  109.8905       14.21877  111.0150       14.21877  103.0206 6.900937  103.5649 6.864664  -0.5443497     9.733783  
1 1 1 47 15 4  o 42.44500 9.610692  20.32273       6.894957  29.28570       13.78991  11.35976       13.78991  49.70454 13.51713  35.18547 13.66561  14.51907       19.22138  
1 1 1 47 15 5  o 75.03677 7.309144  61.37799       7.657358  50.96646       15.31472  71.78951       15.31472  68.09915 11.24442  81.97440 9.341158  -13.87524      14.61829  
1 1 1 47 15 6  o 56.01761 9.204389  37.48627       8.281574  62.78366       16.56315  12.18888       16.56315  75.28181 11.00076  36.75340 14.76029  38.52841       18.40878  
1 1 1 47 15 7  o 31.34482 13.66160  2.687461       16.07712  2.687461       16.07712  ?              ?         31.34482 13.66160  ?        ?         ?              ?         
1 1 1 47 15 8  o 64.64560 9.251298  50.30888       8.291104  39.67340       16.58221  60.94437       16.58221  55.97172 14.64483  73.31948 11.30819  -17.34776      18.50260  
1 1 1 47 16 0  o 35.10730 19.55480  20.63246       20.09878  20.63246       20.09878  20.63246       20.09878  35.10730 19.55480  35.10730 19.55480  0.000000       0.000000  
1 1 1 47 16 1  o 27.76512 8.683361  -2.330086      6.856837  3.335501       13.71367  -7.995674      13.71367  30.37928 12.91196  25.15096 11.61397  5.228315       17.36672  
1 1 1 47 16 2  o 27.77251 8.421811  -2.244316      6.427987  9.606244       12.85597  -14.09487      12.85597  33.52323 13.15869  22.02179 10.51458  11.50143       16.84362  
1 1 1 47 16 3  o 51.83291 8.906923  31.33465       6.494698  27.31299       12.98940  35.35631       12.98940  48.18015 13.12621  55.48567 12.04308  -7.305527      17.81385  
1 1 1 47 16 4  f 64.81631 7.162493  45.39617       6.556643  42.88502       13.11329  47.90733       13.11329  62.87917 10.42737  66.75344 9.822180  -3.874271      14.32499  
1 1 1 47 16 5  o 30.98244 9.122062  4.984192       6.718653  9.730133       13.43731  0.2382501      13.43731  33.72018 13.38391  28.24470 12.39835  5.475473       18.24412  
1 1 1 47 16 6  o 85.67232 6.262659  79.22769       7.461993  63.74620       14.92399  94.70918       14.92399  76.63702 9.736800  94.70761 7.878980  -18.07059      12.52532  
1 1 1 47 16 7  o 39.99796 15.08062  18.39291       16.43926  18.39291       16.43926  ?              ?         39.99796 15.08062  ?        ?         ?              ?         
1 1 1 47 16 8  o 108.8965 6.156432  128.7408       9.363228  107.0982       18.72646  150.3835       18.72646  98.95926 9.461700  118.8338 7.879267  -19.87450      12.31286  
1 1 1 47 16 9  o 48.81108 15.27843  33.62185       16.55362  33.62185       16.55362  ?              ?         48.81108 15.27843  ?        ?         ?              ?         
1 1 1 47 17 0  o 83.95003 11.34169  75.65871       18.79317  75.65871       18.79317  75.65871       18.79317  83.95003 11.34169  83.95003 11.34169  0.000000       0.000000  
1 1 1 47 17 1  o 79.45551 5.903401  66.62902       6.632883  65.65220       13.26577  67.60585       13.26577  78.84081 8.413007  80.07021 8.283833  -1.229401      11.80680  
1 1 1 47 17 2  o 89.22827 5.624705  83.69249       7.080793  77.34550       14.16159  90.03947       14.16159  85.67168 8.265035  92.78487 7.631409  -7.113197      11.24941  
1 1 1 47 17 3  o 67.52491 8.103312  50.88070       7.538233  46.04898       15.07647  55.71240       15.07647  63.43735 12.32270  71.61247 10.52642  -8.175121      16.20662  
1 1 1 47 17 4  o 25.12557 8.286716  -10.17804      7.299983  -6.775833      14.59997  -13.58025      14.59997  26.30668 12.08173  23.94445 11.34506  2.362225       16.57343  
1 1 1 47 17 5  o 73.38562 6.969666  58.56664       7.233273  58.33315       14.46655  58.80013       14.46655  73.22653 9.877940  73.54470 9.835207  -0.3181686     13.93933  
1 1 1 47 17 6  o 71.17284 7.240239  55.74099       7.280923  53.24413       14.56185  58.23785       14.56185  69.41875 10.48841  72.92692 9.983863  -3.508163      14.48048  
1 1 1 47 17 7  o 86.13458 7.370127  82.63943       8.972499  85.56991       17.94500  79.70896       17.94500  87.83569 10.21510  84.43349 10.62671  3.402199       14.74025  
1 1 1 47 17 8  o 28.30871 12.78893  -1.820231      15.41002  -1.820231      15.41002  ?              ?         28.30871 12.78893  ?        ?         ?              ?         
1 1 1 47 18 0  o 42.36363 20.59955  30.52460       20.30844  30.52460       20.30844  30.52460       20.30844  42.36363 20.59955  42.36363 20.59955  0.000000       0.000000  
1 1 1 47 18 1  o 44.50949 9.293942  21.97619       7.061733  7.128443       14.12347  36.82394       14.12347  32.75100 13.44967  56.26799 12.83027  -23.51699      18.58788  
1 1 1 47 18 2  o 42.71732 9.119169  19.21725       6.995024  35.76610       13.99005  2.668401       13.99005  55.34642 12.87056  30.08821 12.92229  25.25821       18.23834  
1 1 1 47 18 3  f 42.11219 10.21654  20.32274       7.542998  26.75072       15.08600  13.89474       15.08600  46.94138 14.56390  37.28300 14.33189  9.658375       20.43307  
1 1 1 47 18 4  f 83.55713 6.504130  75.20126       7.671653  80.09016       15.34331  70.31237       15.34331  86.48260 8.870748  80.63165 9.514444  5.850960       13.00826  
1 1 1 47 18 5  o 147.8232 4.018443  225.0177       8.400699  225.0129       16.80140  225.0224       16.80140  147.8216 5.682999  147.8248 5.682875  -0.3219604E-02 8.036886  
1 1 1 47 18 6  o 33.37489 13.79381  8.691362       14.96210  8.691362       14.96210  ?              ?         33.37489 13.79381  ?        ?         ?              ?         
1 1 1 47 18 7  o 64.63638 8.621698  48.97469       7.685949  42.77066       15.37190  55.17872       15.37190  59.29020 13.29345  69.98257 10.98266  -10.69238      17.24340  
1 1 1 47 19 0  o 23.10492 15.61406  -3.754822      20.36562  -3.754822      20.36562  -3.754822      20.36562  23.10492 15.61406  23.10492 15.61406  0.000000       0.000000  
1 1 1 47 19 1  o 31.14653 9.460591  3.264026       7.528703  6.261212       15.05741  0.2668401      15.05741  32.64875 13.68578  29.64432 13.06562  3.004438       18.92118  
1 1 1 47 19 2  o 45.06729 10.18095  24.18715       7.628768  15.61015       15.25754  32.76415       15.25754  38.38649 14.51215  51.74808 14.28302  -13.36159      20.36190  
1 1 1 47 19 3  o 47.25907 10.17739  27.27011       7.514408  22.19538       15.02882  32.34483       15.02882  43.09133 14.61519  51.42682 14.16732  -8.335491      20.35477  
1 1 1 47 19 4  o 45.87594 14.69893  25.83584       15.23848  25.83584       15.23848  ?              ?         45.87594 14.69893  ?        ?         ?              ?         
1 1 1 47 19 5  o 30.61315 13.31070  3.087722       15.19082  3.087722       15.19082  ?              ?         30.61315 13.31070  ?        ?         ?              ?         
1 1 1 47 19 6  o 44.46983 14.38616  24.64459       14.57137  24.64459       14.57137  ?              ?         44.46983 14.38616  ?        ?         ?              ?         
1 1 1 47 19 7  o 33.34613 13.48258  10.23522       13.95192  10.23522       13.95192  ?              ?         33.34613 13.48258  ?        ?         ?              ?         
1 1 1 47 20 0  o 56.31928 21.00625  48.07887       21.94760  48.07887       21.94760  48.07887       21.94760  56.31928 21.00625  56.31928 21.00625  0.000000       0.000000  
1 1 1 47 20 1  o 69.07735 8.101756  53.93506       7.709774  58.84777       15.41955  49.02234       15.41955  73.14106 10.54097  65.01364 12.30617  8.127419       16.20351  
1 1 1 47 20 2  o 49.66028 14.84318  30.57225       15.86746  30.57225       15.86746  ?              ?         49.66028 14.84318  ?        ?         ?              ?         
1 1 1 47 20 3  o 39.04889 14.46488  16.96341       14.99070  16.96341       14.99070  ?              ?         39.04889 14.46488  ?        ?         ?              ?         
1 1 1 47 20 4  f 41.99854 14.72271  21.50922       15.32425  21.50922       15.32425  ?              ?         41.99854 14.72271  ?        ?         ?              ?         
1 1 1 47 20 5  o 49.48887 15.14083  31.49666       16.38207  31.49666       16.38207  ?              ?         49.48887 15.14083  ?        ?         ?              ?         
1 1 1 47 20 6  o 43.41021 15.22994  23.88219       16.40114  23.88219       16.40114  ?              ?         43.41021 15.22994  ?        ?         ?              ?         
1 1 1 47 20 7  o 24.95616 11.82408  -9.844495      15.85793  -9.844495      15.85793  ?              ?         24.95616 11.82408  ?        ?         ?              ?         
1 1 1 47 21 0  o 24.02893 16.03644  -0.2668401     20.19408  -0.2668401     20.19408  -0.2668401     20.19408  24.02893 16.03644  24.02893 16.03644  0.000000       0.000000  
1 1 1 47 21 1  o 61.07922 9.127481  44.38600       7.647829  48.42195       15.29566  40.35004       15.29566  64.36756 12.32089  57.79087 13.46994  6.576691       18.25496  
1 1 1 47 21 2  o 48.10923 14.60707  29.06651       15.28613  29.06651       15.28613  ?              ?         48.10923 14.60707  ?        ?         ?              ?         
1 1 1 47 21 3  o 33.17817 14.07410  6.995024       16.23913  6.995024       16.23913  ?              ?         33.17817 14.07410  ?        ?         ?              ?         
1 1 1 47 21 4  o 30.86576 13.69290  1.019710       16.90623  1.019710       16.90623  ?              ?         30.86576 13.69290  ?        ?         ?              ?         
1 1 1 47 21 5  o 47.33863 15.42235  29.09510       16.73469  29.09510       16.73469  ?              ?         47.33863 15.42235  ?        ?         ?              ?         
1 1 1 47 21 6  o 57.33019 14.55519  43.72366       16.72516  43.72366       16.72516  ?              ?         57.33019 14.55519  ?        ?         ?              ?         
1 1 1 47 22 1  o 27.84953 12.64872  -3.278321      15.31472  -3.278321      15.31472  ?              ?         27.84953 12.64872  ?        ?         ?              ?         
1 1 1 47 22 2  o 58.40110 8.309598  42.10832       7.409578  11.10245       14.81916  73.11419       14.81916  34.71880 13.95396  82.08341 9.026889  -47.36462      16.61920  
1 1 1 47 22 3  o 109.6099 5.159748  126.8158       7.995674  130.3133       15.99135  123.3182       15.99135  111.2053 7.190011  108.0144 7.402413  3.190880       10.31950  
1 1 1 47 22 4  o 29.69180 13.16367  0.8195803      15.59109  0.8195803      15.59109  ?              ?         29.69180 13.16367  ?        ?         ?              ?         
1 1 1 47 22 5  o 77.01082 7.613544  68.43496       8.286338  65.92857       16.57268  70.94135       16.57268  75.38351 10.99224  78.63811 10.53730  -3.254601      15.22709  
1 1 1 47 23 1  o 24.17677 11.68303  -20.08925      17.14448  -20.08925      17.14448  ?              ?         24.17677 11.68303  ?        ?         ?              ?         
1 1 1 47 23 2  o 28.48454 13.15367  -6.394632      17.59239  -6.394632      17.59239  ?              ?         28.48454 13.15367  ?        ?         ?              ?         
1 1 1 47 23 3  f 40.95888 15.61946  20.51810       17.80205  20.51810       17.80205  ?              ?         40.95888 15.61946  ?        ?         ?              ?         
1 1 1 47 23 4  o 90.46907 6.943443  93.33686       8.743778  76.51640       17.48756  110.1573       17.48756  81.17281 10.77181  99.76532 8.764347  -18.59251      13.88689  
1 1 1 48 0  0  f 73.45071 18.43521  65.00415       23.39616  65.00415       23.39616  65.00415       23.39616  73.45071 18.43521  73.45071 18.43521  0.000000       0.000000  
1 1 1 48 0  1  o 22.72557 15.02037  -0.5718002     16.98247  -0.5718002     16.98247  -0.5718002     16.98247  22.72557 15.02037  22.72557 15.02037  0.000000       0.000000  
1 1 1 48 0  2  o 163.8904 5.725487  272.0626       18.71693  272.0626       18.71693  272.0626       18.71693  163.8904 5.725487  163.8904 5.725487  0.000000       0.000000  
1 1 1 48 0  3  o 31.40146 16.74741  15.77216       14.13300  15.77216       14.13300  15.77216       14.13300  31.40146 16.74741  31.40146 16.74741  0.000000       0.000000  
1 1 1 48 0  4  o 32.40817 18.77799  16.28678       19.46980  16.28678       19.46980  16.28678       19.46980  32.40817 18.77799  32.40817 18.77799  0.000000       0.000000  
1 1 1 48 0  5  o 134.1584 8.124257  185.8160       21.63311  185.8160       21.63311  185.8160       21.63311  134.1584 8.124257  134.1584 8.124257  0.000000       0.000000  
1 1 1 48 0  6  o 86.49961 13.70344  83.39706       22.28115  83.39706       22.28115  83.39706       22.28115  86.49961 13.70344  86.49961 13.70344  0.000000       0.000000  
1 1 1 48 0  7  o 74.48222 17.86415  69.39749       23.06261  69.39749       23.06261  69.39749       23.06261  74.48222 17.86415  74.48222 17.86415  0.000000       0.000000  
1 1 1 48 1  0  o 62.39194 14.44989  46.31581       15.66733  46.31581       15.66733  46.31581       15.66733  62.39194 14.44989  62.39194 14.44989  0.000000       0.000000  
1 1 1 48 1  1  o 57.12712 7.342989  35.46591       5.713237  34.91793       11.42647  36.01388       11.42647  56.64080 10.48114  57.61344 10.28706  -0.9726448     14.68598  
1 1 1 48 1  2  o 139.5993 3.083101  197.2187       6.075377  183.4526       12.15075  210.9848       12.15075  134.6687 4.511349  144.5299 4.203544  -9.861145      6.166203  
1 1 1 48 1  3  o 37.56619 8.416650  15.35283       5.022312  14.18065       10.04462  16.52503       10.04462  36.40481 11.94837  38.72757 11.85734  -2.322762      16.83330  
1 1 1 48 1  4  o 82.81119 6.400510  72.50426       7.438168  82.33923       14.87634  62.66931       14.87634  88.74937 8.381094  76.87301 9.675918  11.87637       12.80102  
1 1 1 48 1  5  o 54.67431 9.066080  34.21748       7.724069  13.67556       15.44814  54.75940       15.44814  38.05664 14.53928  71.29198 10.83442  -33.23534      18.13216  
1 1 1 48 1  6  o 43.22213 10.03936  21.15661       7.218978  26.25516       14.43796  16.05806       14.43796  47.30559 14.16273  39.13867 14.23278  8.166920       20.07872  
1 1 1 48 1  7  o 45.49157 10.12033  22.87678       8.181508  6.766303       16.36302  38.98725       16.36302  34.02789 14.26547  56.95525 14.35900  -22.92736      20.24067  
1 1 1 48 1  8  o 27.57196 8.925900  -5.970547      7.847958  -8.310163      15.69592  -3.630931      15.69592  26.69552 12.36448  28.44839 12.87658  -1.752867      17.85180  
1 1 1 48 1  9  o 80.27049 7.805534  72.27555       8.753308  83.89262       17.50662  60.65847       17.50662  87.50670 10.00302  73.03429 11.98520  14.47240       15.61107  
1 1 1 48 1  10 o 37.50374 15.28608  13.50401       18.10701  13.50401       18.10701  ?              ?         37.50374 15.28608  ?        ?         ?              ?         
1 1 1 48 2  0  o 116.6432 7.628256  139.9291       17.64004  139.9291       17.64004  139.9291       17.64004  116.6432 7.628256  116.6432 7.628256  0.000000       0.000000  
1 1 1 48 2  1  f 31.86318 8.560183  7.304748       5.622702  0.4193202      11.24540  14.19018       11.24540  26.77694 11.54456  36.94941 12.64239  -10.17247      17.12037  
1 1 1 48 2  2  o 58.21860 7.174828  37.25278       5.608407  25.49276       11.21681  49.01281       11.21681  47.72615 11.80209  68.71104 8.162309  -20.98490      14.34966  
1 1 1 48 2  3  o 61.13315 6.523255  40.42151       5.332037  29.84797       10.66407  50.99505       10.66407  52.07748 10.60667  70.18882 7.596704  -18.11134      13.04651  
1 1 1 48 2  4  o 41.51078 9.055380  17.78299       6.618587  4.288502       13.23717  31.27747       13.23717  30.74434 12.85655  52.27722 12.75573  -21.53288      18.11076  
1 1 1 48 2  5  o 52.26879 9.738937  31.84451       7.361928  26.81743       14.72386  36.87159       14.72386  47.96464 14.29057  56.57294 13.23508  -8.608299      19.47787  
1 1 1 48 2  6  o 62.29809 8.902538  46.27770       8.048088  75.08691       16.09618  17.46850       16.09618  83.93942 9.587972  40.65676 15.00305  43.28266       17.80508  
1 1 1 48 2  7  o 53.92134 9.733162  34.81311       7.971848  50.65197       15.94370  18.97424       15.94370  66.49115 12.44997  41.35154 14.96449  25.13961       19.46632  
1 1 1 48 2  8  o 37.10250 10.28692  11.68855       8.267279  2.048951       16.53456  21.32815       16.53456  31.54314 13.80030  42.66187 15.25891  -11.11873      20.57383  
1 1 1 48 2  9  f 61.49464 9.985511  46.39206       8.519823  42.69442       17.03965  50.08970       17.03965  58.58582 14.58241  64.40346 13.64533  -5.817635      19.97102  
1 1 1 48 3  0  o 183.2413 5.450665  339.4206       19.93677  339.4206       19.93677  339.4206       19.93677  183.2413 5.450665  183.2413 5.450665  0.000000       0.000000  
1 1 1 48 3  1  o 70.51234 5.827500  52.35784       5.665587  39.44469       11.33117  65.27100       11.33117  61.35567 9.234008  79.66900 7.111407  -18.31333      11.65500  
1 1 1 48 3  2  o 90.50871 4.843186  84.96476       6.099203  102.0092       12.19841  67.92033       12.19841  99.92461 6.103805  81.09280 7.521263  18.83180       9.686373  
1 1 1 48 3  3  o 82.56342 4.491436  70.57921       5.155732  85.09341       10.31146  56.06501       10.31146  91.35315 5.643738  73.77370 6.988577  17.57945       8.982872  
1 1 1 48 3  4  o 45.88789 9.226049  21.76176       7.581119  42.66583       15.16224  0.8577003      15.16224  61.22055 12.79850  30.55523 13.29204  30.66532       18.45210  
1 1 1 48 3  5  o 28.58509 9.144465  -5.089022      7.943258  -6.270743      15.88652  -3.907302      15.88652  28.12194 12.80175  29.04824 13.06140  -0.9263058     18.28893  
1 1 1 48 3  6  o 146.6678 4.085579  221.8871       8.376874  184.1387       16.75375  259.6354       16.75375  133.7992 6.260781  159.5365 5.250758  -25.73730      8.171159  
1 1 1 48 3  7  o 76.15221 7.459179  63.08387       8.019498  59.17180       16.03900  66.99593       16.03900  73.58362 10.89848  78.72079 10.18727  -5.137169      14.91836  
1 1 1 48 3  8  o 34.18403 14.33140  7.576353       16.51550  7.576353       16.51550  ?              ?         34.18403 14.33140  ?        ?         ?              ?         
1 1 1 48 3  9  o 59.84635 10.61267  45.15316       8.986794  48.22182       17.97359  42.08450       17.97359  62.23497 14.66382  57.45773 15.34562  4.777245       21.22535  
1 1 1 48 3  10 f 37.14619 14.95886  13.61837       17.07777  13.61837       17.07777  ?              ?         37.14619 14.95886  ?        ?         ?              ?         
1 1 1 48 4  0  o 31.83884 17.84434  15.83887       16.87764  15.83887       16.87764  15.83887       16.87764  31.83884 17.84434  31.83884 17.84434  0.000000       0.000000  
1 1 1 48 4  1  o 69.71614 5.915179  50.61385       5.818067  54.49256       11.63613  46.73514       11.63613  72.49792 8.025150  66.93435 8.692200  5.563576       11.83036  
1 1 1 48 4  2  o 40.33137 8.848029  17.55903       5.827598  24.62553       11.65520  10.49253       11.65520  46.71230 12.30368  33.95045 12.71888  12.76185       17.69606  
1 1 1 48 4  3  o 45.71321 7.054828  22.79577       5.265327  2.868531       10.53065  42.72301       10.53065  27.40785 11.46459  64.01858 8.224687  -36.61073      14.10966  
1 1 1 48 4  4  o 101.7512 4.891836  106.8456       7.033143  101.8662       14.06629  111.8251       14.06629  99.30429 7.082417  104.1980 6.749785  -4.893738      9.783671  
1 1 1 48 4  5  o 157.2466 3.733238  252.1925       8.281574  232.1604       16.56315  272.2245       16.56315  150.8770 5.488957  163.6163 5.061584  -12.73927      7.466477  
1 1 1 48 4  6  o 96.82210 5.912647  98.81661       8.071913  107.1744       16.14383  90.45879       16.14383  101.1382 7.981076  92.50603 8.725823  8.632133       11.82529  
1 1 1 48 4  7  f 90.60143 6.466427  87.68081       8.238688  97.75878       16.47738  77.60282       16.47738  96.16315 8.567407  85.03972 9.688047  11.12343       12.93285  
1 1 1 48 4  8  o 74.29536 8.389926  62.78842       8.577003  56.76070       17.15401  68.81615       17.15401  69.71443 12.77966  78.87630 10.87399  -9.161873      16.77985  
1 1 1 48 4  9  o 43.12431 15.71953  22.71953       17.62098  22.71953       17.62098  ?              ?         43.12431 15.71953  ?        ?         ?              ?         
1 1 1 48 5  0  o 58.58504 17.68818  44.84820       18.04030  44.84820       18.04030  44.84820       18.04030  58.58504 17.68818  58.58504 17.68818  0.000000       0.000000  
1 1 1 48 5  1  o 80.67890 5.141212  67.91557       5.746593  52.69139       11.49319  83.13976       11.49319  71.24386 8.066088  90.11395 6.377029  -18.87009      10.28242  
1 1 1 48 5  2  o 68.87537 6.041628  49.69897       5.851423  43.85708       11.70285  55.54086       11.70285  64.63445 9.053103  73.11628 8.002899  -8.481834      12.08326  
1 1 1 48 5  3  o 90.01382 4.355920  83.02063       5.541698  79.77566       11.08340  86.26560       11.08340  88.21133 6.282297  91.81630 6.035636  -3.604965      8.711840  
1 1 1 48 5  4  o 119.3076 4.346332  146.0664       7.319043  135.7740       14.63809  156.3588       14.63809  114.9942 6.364707  123.6210 5.920551  -8.626785      8.692664  
1 1 1 48 5  5  o 53.98504 9.315741  33.96017       7.333338  21.20426       14.66668  46.71608       14.66668  43.30381 14.43801  64.66626 11.77608  -21.36245      18.63148  
1 1 1 48 5  6  o 121.0591 4.450408  151.1554       7.609708  142.6832       15.21942  159.6276       15.21942  117.5599 6.473047  124.5583 6.109354  -6.998383      8.900817  
1 1 1 48 5  7  o 102.5023 6.181155  112.3730       8.800959  135.3260       17.60192  89.42002       17.60192  113.6987 7.740600  91.30598 9.638973  22.39268       12.36231  
1 1 1 48 5  8  o 88.53638 7.060041  85.42696       8.839078  86.60867       17.67816  84.24524       17.67816  89.20375 9.908864  87.86902 10.05938  1.334732       14.12008  
1 1 1 48 5  9  o 52.74072 16.11915  36.70958       18.57398  36.70958       18.57398  ?              ?         52.74072 16.11915  ?        ?         ?              ?         
1 1 1 48 5  10 o 39.20523 15.45694  17.03965       17.81158  17.03965       17.81158  ?              ?         39.20523 15.45694  ?        ?         ?              ?         
1 1 1 48 6  0  o 77.90048 10.91985  64.62296       16.59174  64.62296       16.59174  64.62296       16.59174  77.90048 10.91985  77.90048 10.91985  0.000000       0.000000  
1 1 1 48 6  1  o 40.56696 8.969408  17.78299       5.980077  10.53065       11.96015  25.03532       11.96015  34.13115 12.86475  47.00276 12.50198  -12.87160      17.93882  
1 1 1 48 6  2  o 75.84078 6.533853  63.05527       6.408928  85.91298       12.81786  40.19756       12.81786  91.29360 7.020128  60.38797 11.02192  30.90564       13.06771  
1 1 1 48 6  3  o 33.70020 8.148705  7.662123       5.684648  22.32880       11.36929  -7.004553      11.36929  44.34199 12.36220  23.05840 10.61987  21.28358       16.29741  
1 1 1 48 6  4  o 57.68715 9.442911  38.65846       7.638299  29.61925       15.27660  47.69767       15.27660  50.21627 14.43791  65.15802 12.17461  -14.94175      18.88582  
1 1 1 48 6  5  f 75.73416 6.872338  61.06350       7.352398  64.18457       14.70480  57.94242       14.70480  77.79471 9.451026  73.67362 9.979690  4.121086       13.74468  
1 1 1 48 6  6  o 99.00446 6.100450  104.7490       8.391169  126.0534       16.78234  83.44471       16.78234  109.7637 7.644755  88.24519 9.508924  21.51854       12.20090  
1 1 1 48 6  7  o 83.85013 7.302429  76.46876       8.615124  68.25389       17.23025  84.68362       17.23025  78.95159 10.91191  88.74867 9.707327  -9.797081      14.60486  
1 1 1 48 6  8  o 64.06189 8.845124  49.86098       7.900373  76.24956       15.80075  23.47240       15.80075  84.04198 9.400509  44.08181 14.98584  39.96017       17.69025  
1 1 1 48 6  9  o 152.2154 4.656583  242.3671       10.01127  255.8520       20.02254  228.8821       20.02254  156.6449 6.391058  147.7858 6.774175  8.859100       9.313167  
1 1 1 48 7  0  o 146.3440 6.810645  218.5992       19.84147  218.5992       19.84147  218.5992       19.84147  146.3440 6.810645  146.3440 6.810645  0.000000       0.000000  
1 1 1 48 7  1  o 89.01744 5.175054  82.07716       6.489933  90.08713       12.97987  74.06719       12.97987  93.51654 6.939877  84.51834 7.678727  8.998199       10.35011  
1 1 1 48 7  2  o 40.96809 8.625857  18.33097       5.727532  26.94132       11.45506  9.720604       11.45506  48.85370 11.83232  33.08248 12.55459  15.77122       17.25171  
1 1 1 48 7  3  o 29.24198 7.698198  -0.1667746     5.474988  17.67816       10.94998  -18.01171      10.94998  39.80511 12.41957  18.67885 9.099626  21.12626       15.39640  
1 1 1 48 7  4  o 82.69167 6.261178  72.45662       7.218978  85.74145       14.43796  59.17180       14.43796  90.72441 7.957040  74.65892 9.669277  16.06549       12.52236  
1 1 1 48 7  5  o 52.43639 9.884700  32.39725       7.952788  46.48736       15.90558  18.30714       15.90558  63.65766 12.94301  41.21511 14.94348  22.44255       19.76940  
1 1 1 48 7  6  o 38.65659 10.08949  14.69527       7.628768  6.213562       15.25754  23.17697       15.25754  32.97114 13.79628  44.34205 14.72596  -11.37091      20.17898  
1 1 1 48 7  7  o 81.11526 7.473202  72.19931       8.491233  82.70137       16.98247  61.69725       16.98247  87.58881 9.694427  74.64172 11.37599  12.94709       14.94640  
1 1 1 48 7  8  o 28.76182 13.20581  -6.508993      17.43038  -6.508993      17.43038  ?              ?         28.76182 13.20581  ?        ?         ?              ?         
1 1 1 48 7  9  o 69.49434 9.776381  60.47264       9.406114  36.09966       18.81223  84.84563       18.81223  52.05863 16.28592  86.93005 10.82032  -34.87141      19.55276  
1 1 1 48 7  10 o 51.10198 15.59902  35.15619       17.40179  35.15619       17.40179  ?              ?         51.10198 15.59902  ?        ?         ?              ?         
1 1 1 48 8  0  o 128.9396 6.622463  169.8723       16.98247  169.8723       16.98247  169.8723       16.98247  128.9396 6.622463  128.9396 6.622463  0.000000       0.000000  
1 1 1 48 8  1  o 109.7591 4.376545  124.7430       6.675768  98.76897       13.35154  150.7170       13.35154  97.92680 6.817100  121.5914 5.490330  -23.66459      8.753090  
1 1 1 48 8  2  o 84.38454 5.354546  73.94807       6.380337  69.42608       12.76067  78.47005       12.76067  81.70515 7.808979  87.06393 7.328336  -5.358780      10.70909  
1 1 1 48 8  3  o 43.91113 8.779038  21.44727       6.184973  32.70698       12.36995  10.18757       12.36995  53.87382 11.80356  33.94844 12.99854  19.92538       17.55808  
1 1 1 48 8  4  o 50.96773 9.561593  29.53824       7.971848  49.29871       15.94370  9.777783       15.94370  66.05218 12.52312  35.88329 14.45226  30.16889       19.12319  
1 1 1 48 8  5  o 55.89827 9.331067  36.49992       7.266628  38.48215       14.53326  34.51767       14.53326  57.59992 12.93360  54.19662 13.45352  3.403294       18.66213  
1 1 1 48 8  6  o 52.09103 10.14961  32.64979       7.781249  37.33855       15.56250  27.96103       15.56250  55.99204 13.93553  48.19001 14.76005  7.802029       20.29921  
1 1 1 48 8  7  o 56.04460 10.31624  38.65369       8.367344  31.15358       16.73469  46.15381       16.73469  50.03451 15.30192  62.05469 13.84016  -12.02018      20.63247  
1 1 1 48 8  8  o 43.90237 15.31427  23.40569       16.56315  23.40569       16.56315  ?              ?         43.90237 15.31427  ?        ?         ?              ?         
1 1 1 48 8  9  o 146.3917 4.791138  224.5936       9.915970  218.4277       19.83194  230.7595       19.83194  144.2857 6.872455  148.4976 6.677527  -4.211914      9.582275  
1 1 1 48 9  0  o 19.87761 13.82688  -11.99827      18.64069  -11.99827      18.64069  -11.99827      18.64069  19.87761 13.82688  19.87761 13.82688  0.000000       0.000000  
1 1 1 48 9  1  o 30.19073 8.483115  -0.1429500     6.423223  16.34396       12.84645  -16.62986      12.84645  39.00661 13.49846  21.37486 10.27835  17.63176       16.96623  
1 1 1 48 9  2  o 58.59995 8.060227  39.47804       6.494698  20.67058       12.98940  58.28550       12.98940  42.70198 13.55973  74.49790 8.717961  -31.79592      16.12045  
1 1 1 48 9  3  o 51.27922 9.076609  30.25777       6.637648  24.50164       13.27530  36.01388       13.27530  46.11449 13.52439  56.44394 12.10910  -10.32945      18.15322  
1 1 1 48 9  4  o 38.18221 8.303674  4.050251       7.299983  36.29978       14.59997  -28.19928      14.59997  55.98687 13.23194  20.37754 10.03592  35.60934       16.60735  
1 1 1 48 9  5  o 105.4129 5.273278  116.1040       7.847958  108.6516       15.69592  123.5565       15.69592  101.8780 7.703291  108.9478 7.203412  -7.069794      10.54656  
1 1 1 48 9  6  o 53.23843 10.10880  34.09359       7.890843  41.13150       15.78169  27.05568       15.78169  59.04621 13.63011  47.43064 14.93223  11.61557       20.21760  
1 1 1 48 9  7  o 89.92809 7.091740  88.20972       9.010619  92.25997       18.02124  84.15946       18.02124  92.18003 9.775023  87.67616 10.27716  4.503876       14.18348  
1 1 1 48 9  8  o 49.76462 15.27150  31.51572       16.64892  31.51572       16.64892  ?              ?         49.76462 15.27150  ?        ?         ?              ?         
1 1 1 48 9  9  o 38.02926 15.51446  14.08535       18.66928  14.08535       18.66928  ?              ?         38.02926 15.51446  ?        ?         ?              ?         
1 1 1 48 10 0  o 68.49347 15.44071  56.26514       18.42150  56.26514       18.42150  56.26514       18.42150  68.49347 15.44071  68.49347 15.44071  0.000000       0.000000  
1 1 1 48 10 1  o 70.60570 6.855919  54.19713       6.485168  40.79795       12.97034  67.59632       12.97034  60.70014 11.09647  80.51125 8.054983  -19.81112      13.71184  
1 1 1 48 10 2  o 39.63395 9.435256  16.96341       6.361277  12.57007       12.72255  21.35674       12.72255  35.96133 13.32482  43.30656 13.36209  -7.345234      18.87051  
1 1 1 48 10 3  o 110.9933 4.079197  126.2154       6.380337  138.2041       12.76067  114.2266       12.76067  116.3940 5.481673  105.5927 6.042406  10.80132       8.158395  
1 1 1 48 10 4  o 47.04152 8.510174  25.39746       5.698943  27.37970       11.39789  23.41522       11.39789  48.97908 11.76526  45.10395 12.29922  3.875126       17.02035  
1 1 1 48 10 5  o 26.28815 8.514029  -7.547763      7.276158  -13.87568      14.55232  -1.219841      14.55232  23.88330 11.32102  28.69300 12.71964  -4.809690      17.02806  
1 1 1 48 10 6  o 108.2296 5.873595  123.7947       8.982028  129.5318       17.96406  118.0577       17.96406  110.8800 8.100674  105.5792 8.507383  5.300812       11.74719  
1 1 1 48 10 7  o 33.70208 14.57926  4.698292       18.04983  4.698292       18.04983  ?              ?         33.70208 14.57926  ?        ?         ?              ?         
1 1 1 48 10 8  o 83.89827 7.169590  77.86014       8.505528  79.22292       17.01106  76.49734       17.01106  84.71044 10.04071  83.08611 10.23701  1.624336       14.33918  
1 1 1 48 10 9  o 32.47982 14.28838  3.392681       17.92594  3.392681       17.92594  ?              ?         32.47982 14.28838  ?        ?         ?              ?         
1 1 1 48 11 0  o 82.76918 11.16233  74.83912       17.95453  74.83912       17.95453  74.83912       17.95453  82.76918 11.16233  82.76918 11.16233  0.000000       0.000000  
1 1 1 48 11 1  o 34.81089 9.326452  11.10245       6.323157  12.19841       12.64631  10.00650       12.64631  35.63684 13.26882  33.98495 13.10990  1.651890       18.65290  
1 1 1 48 11 2  o 80.13023 6.026089  67.33424       6.828248  66.35742       13.65650  68.31107       13.65650  79.52071 8.586754  80.73976 8.457107  -1.219048      12.05218  
1 1 1 48 11 3  o 53.03511 8.715731  32.21618       6.418458  32.30671       12.83692  32.12564       12.83692  53.11849 12.31326  52.95173 12.33853  0.1667633      17.43146  
1 1 1 48 11 4  o 21.34949 7.212899  -13.59932      6.075377  -14.19971      12.15075  -12.99893      12.15075  21.16004 10.13144  21.53895 10.26925  -0.3789082     14.42580  
1 1 1 48 11 5  o 42.72826 9.929076  20.70393       7.204682  28.18975       14.40936  13.21811       14.40936  48.63728 14.03457  36.81923 14.04910  11.81805       19.85815  
1 1 1 48 11 6  o 30.36920 9.116156  1.553391       7.190388  -8.367344      14.38078  11.47412       14.38078  25.42916 11.79986  35.30923 13.89894  -9.880072      18.23231  
1 1 1 48 11 7  o 47.58250 15.73534  28.38988       17.42085  28.38988       17.42085  ?              ?         47.58250 15.73534  ?        ?         ?              ?         
1 1 1 48 11 8  o 52.05112 15.92167  35.71846       18.11654  35.71846       18.11654  ?              ?         52.05112 15.92167  ?        ?         ?              ?         
1 1 1 48 11 9  o 26.73729 12.56345  -10.68313      17.34461  -10.68313      17.34461  ?              ?         26.73729 12.56345  ?        ?         ?              ?         
1 1 1 48 12 0  o 151.9318 7.258230  236.4966       21.94760  236.4966       21.94760  236.4966       21.94760  151.9318 7.258230  151.9318 7.258230  0.000000       0.000000  
1 1 1 48 12 1  o 116.9552 4.370553  140.5485       7.214212  150.6122       14.42842  130.4848       14.42842  121.2575 5.949497  112.6528 6.403936  8.604736       8.741105  
1 1 1 48 12 2  o 32.96258 8.409798  5.417808       6.142087  -10.85467      12.28417  21.69029       12.28417  22.51460 10.57746  43.41056 13.07731  -20.89596      16.81960  
1 1 1 48 12 3  o 34.62256 9.414621  10.87850       6.547113  13.93286       13.09423  7.824133       13.09423  36.78136 13.53672  32.46376 13.08807  4.317596       18.82924  
1 1 1 48 12 4  o 60.69195 7.373845  41.10291       6.037257  30.32448       12.07451  51.88135       12.07451  51.37328 11.96379  70.01061 8.623346  -18.63733      14.74769  
1 1 1 48 12 5  o 31.72060 9.803679  0.4288501      8.529353  7.557293       17.05871  -6.699593      17.05871  34.80302 14.57687  28.63819 13.11348  6.164831       19.60736  
1 1 1 48 12 6  f 53.82892 10.28166  35.85664       8.238688  45.53436       16.47738  26.17892       16.47738  61.56325 13.73531  46.09459 15.30331  15.46866       20.56332  
1 1 1 48 12 7  o 27.40362 12.84441  -10.86420      17.75440  -10.86420      17.75440  ?              ?         27.40362 12.84441  ?        ?         ?              ?         
1 1 1 48 12 8  o 65.39310 9.763039  54.52115       9.496650  23.10073       18.99330  85.94157       18.99330  43.28268 16.23215  87.50351 10.85288  -44.22083      19.52608  
1 1 1 48 13 0  o 22.51571 15.18392  -3.802472      19.07907  -3.802472      19.07907  -3.802472      19.07907  22.51571 15.18392  22.51571 15.18392  0.000000       0.000000  
1 1 1 48 13 1  o 72.63916 6.880163  56.73689       7.018848  49.55602       14.03770  63.91774       14.03770  67.69633 10.36814  77.58199 9.047008  -9.885658      13.76033  
1 1 1 48 13 2  o 29.65668 9.064907  1.486681       7.033143  4.774532       14.06629  -1.801171      14.06629  31.32549 13.18380  27.98786 12.44498  3.337626       18.12981  
1 1 1 48 13 3  o 110.4862 4.720591  126.9349       7.319043  144.4749       14.63809  109.3949       14.63809  118.4239 6.180378  102.5486 7.137145  15.87526       9.441182  
1 1 1 48 13 4  o 77.42996 6.541614  64.02255       7.152268  67.85362       14.30454  60.19150       14.30454  79.90385 8.951094  74.95607 9.541946  4.947777       13.08323  
1 1 1 48 13 5  o 88.58713 7.065326  87.46162       8.381639  57.62793       16.76328  117.2953       16.76328  71.74851 11.68197  105.4257 7.950277  -33.67722      14.13065  
1 1 1 48 13 6  o 61.22769 9.546966  45.67255       8.553178  66.59567       17.10636  24.74942       17.10636  77.45073 11.04338  45.00465 15.57633  32.44608       19.09393  
1 1 1 48 13 7  o 30.13138 13.12671  2.706521       14.82869  2.706521       14.82869  ?              ?         30.13138 13.12671  ?        ?         ?              ?         
1 1 1 48 13 8  o 61.52161 14.96276  48.19323       18.25949  48.19323       18.25949  ?              ?         61.52161 14.96276  ?        ?         ?              ?         
1 1 1 48 14 0  o 23.18560 15.47767  -1.286550      18.84082  -1.286550      18.84082  -1.286550      18.84082  23.18560 15.47767  23.18560 15.47767  0.000000       0.000000  
1 1 1 48 14 1  o 50.23308 8.645743  28.94738       6.785362  44.91491       13.57072  12.97987       13.57072  64.23425 10.56347  36.23191 13.68973  28.00235       17.29149  
1 1 1 48 14 2  o 44.97181 8.876832  21.30433       7.171328  42.12262       14.34266  0.4860302      14.34266  60.61731 12.25915  29.32630 12.84157  31.29102       17.75366  
1 1 1 48 14 3  o 110.6307 4.602408  126.5442       7.190388  118.9726       14.38078  134.1158       14.38078  107.2087 6.706909  114.0527 6.304443  -6.844017      9.204816  
1 1 1 48 14 4  o 21.26054 7.223814  -23.34374      6.656708  -42.77066      13.31342  -3.916832      13.31342  16.32402 8.253228  26.19705 11.85825  -9.873032      14.44763  
1 1 1 48 14 5  o 62.51701 7.657242  43.71889       6.609057  40.41675       13.21811  47.02104       13.21811  59.39318 11.53943  65.64084 10.06851  -6.247658      15.31448  
1 1 1 48 14 6  o 40.33724 15.22263  18.36432       16.76328  18.36432       16.76328  ?              ?         40.33724 15.22263  ?        ?         ?              ?         
1 1 1 48 14 7  o 42.46256 14.97994  22.21444       15.88652  22.21444       15.88652  ?              ?         42.46256 14.97994  ?        ?         ?              ?         
1 1 1 48 15 0  o 32.69845 19.41687  16.69657       21.66170  16.69657       21.66170  16.69657       21.66170  32.69845 19.41687  32.69845 19.41687  0.000000       0.000000  
1 1 1 48 15 1  o 31.43416 9.196726  2.096601       7.261863  14.64762       14.52373  -10.45441      14.52373  37.88054 14.19668  24.98778 11.69501  12.89276       18.39345  
1 1 1 48 15 2  o 82.89281 5.889193  72.70916       6.861602  63.92726       13.72320  81.49107       13.72320  77.59567 8.842765  88.18996 7.780481  -10.59428      11.77839  
1 1 1 48 15 3  o 82.50739 6.238860  72.88547       7.209448  61.94503       14.41890  83.82591       14.41890  75.87740 9.501443  89.13736 8.088021  -13.25996      12.47772  
1 1 1 48 15 4  o 30.35965 9.260744  2.901886       7.247568  4.012132       14.49514  1.791641       14.49514  30.92302 13.21280  29.79629 12.97950  1.126734       18.52149  
1 1 1 48 15 5  o 32.35162 9.423957  4.521986       7.457228  -6.556643      14.91446  15.60062       14.91446  26.52997 12.19556  38.17326 14.37053  -11.64329      18.84791  
1 1 1 48 15 6  o 51.71736 15.78058  35.04182       17.81158  35.04182       17.81158  ?              ?         51.71736 15.78058  ?        ?         ?              ?         
1 1 1 48 15 7  o 34.53262 14.19389  10.00650       15.74357  10.00650       15.74357  ?              ?         34.53262 14.19389  ?        ?         ?              ?         
1 1 1 48 16 0  o 124.0008 9.291628  161.6575       22.78624  161.6575       22.78624  161.6575       22.78624  124.0008 9.291628  124.0008 9.291628  0.000000       0.000000  
1 1 1 48 16 1  o 28.61917 8.989018  -3.268791      7.547763  5.317742       15.09553  -11.85532      15.09553  32.25138 13.61954  24.98697 11.73533  7.264410       17.97804  
1 1 1 48 16 2  o 69.57097 7.719362  53.42996       7.585882  56.16031       15.17176  50.69962       15.17176  71.53325 10.60470  67.60870 11.22028  3.924553       15.43872  
1 1 1 48 16 3  o 31.88683 9.222857  0.6813959      7.609708  18.46915       15.21942  -17.10636      15.21942  40.33805 14.61838  23.43561 11.24932  16.90243       18.44571  
1 1 1 48 16 4  o 39.27636 10.09107  17.12542       7.319043  13.76132       14.63809  20.48951       14.63809  36.82454 14.12841  41.72817 14.41204  -4.903633      20.18215  
1 1 1 48 16 5  o 75.51474 7.462064  63.41265       7.957553  66.94827       15.91511  59.87701       15.91511  77.85576 10.22089  73.17372 10.87488  4.682037       14.92413  
1 1 1 48 16 6  o 57.67229 9.959428  41.51269       8.110033  35.38490       16.22007  47.64049       16.22007  52.69442 14.79018  62.65017 13.34209  -9.955746      19.91886  
1 1 1 48 16 7  o 79.71254 7.855597  72.54716       8.786664  81.71978       17.57333  63.37452       17.57333  85.46610 10.28088  73.95897 11.88046  11.50713       15.71119  
1 1 1 48 17 0  o 24.56493 16.46096  -1.324671      21.78559  -1.324671      21.78559  -1.324671      21.78559  24.56493 16.46096  24.56493 16.46096  0.000000       0.000000  
1 1 1 48 17 1  o 48.00040 10.33149  27.95626       8.105268  16.57268       16.21054  39.33986       16.21054  39.28429 14.92706  56.71652 14.28781  -17.43223      20.66298  
1 1 1 48 17 2  o 49.12132 10.31289  29.72408       7.681183  29.19993       15.36237  30.24823       15.36237  48.68454 14.61587  49.55809 14.55331  -0.8735466     20.62577  
1 1 1 48 17 3  o 98.00864 6.067221  102.5238       8.400699  97.45382       16.80140  107.5937       16.80140  95.42214 8.803720  100.5951 8.351000  -5.172981      12.13444  
1 1 1 48 17 4  o 64.24992 9.221723  49.34636       8.095737  54.75940       16.19147  43.93332       16.19147  68.46030 12.26993  60.03956 13.76988  8.420738       18.44345  
1 1 1 48 17 5  o 34.41576 14.17221  9.834964       15.72451  9.834964       15.72451  ?              ?         34.41576 14.17221  ?        ?         ?              ?         
1 1 1 48 17 6  o 37.10328 14.03116  15.11459       14.26642  15.11459       14.26642  ?              ?         37.10328 14.03116  ?        ?         ?              ?         
1 1 1 48 18 0  o 60.88482 19.73621  52.14819       21.17567  52.14819       21.17567  52.14819       21.17567  60.88482 19.73621  60.88482 19.73621  0.000000       0.000000  
1 1 1 48 18 1  o 31.89733 8.386036  -6.018199      7.109383  25.47370       14.21877  -37.51009      14.21877  45.77964 14.12613  18.01501 9.041838  27.76462       16.77207  
1 1 1 48 18 2  o 91.62052 5.874461  89.46767       7.590649  96.66283       15.18130  82.27251       15.18130  95.54713 7.944403  87.69392 8.655845  7.853210       11.74892  
1 1 1 48 18 3  o 59.31284 8.965566  42.30845       7.523938  57.15144       15.04788  27.46547       15.04788  71.76645 10.48392  46.85922 14.54692  24.90723       17.93113  
1 1 1 48 18 4  o 37.00048 14.20985  14.71433       14.81916  14.71433       14.81916  ?              ?         37.00048 14.20985  ?        ?         ?              ?         
1 1 1 48 18 5  o 40.52312 14.49644  19.60322       14.92399  19.60322       14.92399  ?              ?         40.52312 14.49644  ?        ?         ?              ?         
1 1 1 48 18 6  o 45.23679 14.70756  26.58871       15.21942  26.58871       15.21942  ?              ?         45.23679 14.70756  ?        ?         ?              ?         
1 1 1 48 19 1  o 47.87931 14.93659  29.02839       15.83887  29.02839       15.83887  ?              ?         47.87931 14.93659  ?        ?         ?              ?         
1 1 1 48 19 2  o 44.68013 15.34417  25.21639       16.57268  25.21639       16.57268  ?              ?         44.68013 15.34417  ?        ?         ?              ?         
1 1 1 48 19 3  o 99.45076 6.037950  107.0410       8.395933  124.2617       16.79187  89.82029       16.79187  108.1087 7.766198  90.79285 9.247351  17.31582       12.07590  
1 1 1 48 19 4  o 35.80163 14.72754  11.20728       16.96341  11.20728       16.96341  ?              ?         35.80163 14.72754  ?        ?         ?              ?         
1 1 1 48 19 5  f 21.72021 10.69862  -27.15098      16.30584  -27.15098      16.30584  ?              ?         21.72021 10.69862  ?        ?         ?              ?         
1 1 1 48 19 6  o 35.69067 14.08083  15.45767       14.79056  15.45767       14.79056  ?              ?         35.69067 14.08083  ?        ?         ?              ?         
1 1 1 48 20 1  o 40.85625 14.89431  19.94630       15.81981  19.94630       15.81981  ?              ?         40.85625 14.89431  ?        ?         ?              ?         
1 1 1 48 20 2  o 58.59906 9.887377  42.63247       8.114799  47.57378       16.22960  37.69116       16.22960  62.60453 13.35602  54.59360 14.58278  8.010925       19.77475  
1 1 1 48 20 3  o 37.34299 15.18083  13.48496       17.81158  13.48496       17.81158  ?              ?         37.34299 15.18083  ?        ?         ?              ?         
1 1 1 48 20 4  o 40.17168 14.88524  19.49839       15.87699  19.49839       15.87699  ?              ?         40.17168 14.88524  ?        ?         ?              ?         
1 1 1 48 21 1  o 27.74058 12.94386  -8.767603      17.61145  -8.767603      17.61145  ?              ?         27.74058 12.94386  ?        ?         ?              ?         
1 1 1 48 21 2  o 54.01181 15.74748  38.57745       18.04983  38.57745       18.04983  ?              ?         54.01181 15.74748  ?        ?         ?              ?         
1 1 1 48 22 1  o 73.06271 7.618949  61.26363       7.828898  54.77846       15.65780  67.74880       15.65780  68.62462 11.40829  77.50079 10.10170  -8.876175      15.23790  
1 1 1 48 22 2  o 70.78242 8.485757  60.42975       8.281574  55.50274       16.56315  65.35677       16.56315  66.76964 12.86218  74.79522 11.07233  -8.025581      16.97151  
1 1 1 49 0  1  o 98.79266 9.408943  102.9907       18.27855  102.9907       18.27855  102.9907       18.27855  98.79266 9.408943  98.79266 9.408943  0.000000       0.000000  
1 1 1 49 0  2  o 18.16119 12.69027  -11.70285      16.08665  -11.70285      16.08665  -11.70285      16.08665  18.16119 12.69027  18.16119 12.69027  0.000000       0.000000  
1 1 1 49 0  3  o 35.73985 17.77332  20.82306       15.24801  20.82306       15.24801  20.82306       15.24801  35.73985 17.77332  35.73985 17.77332  0.000000       0.000000  
1 1 1 49 0  4  o 43.17812 20.68122  31.30606       20.39421  31.30606       20.39421  31.30606       20.39421  43.17812 20.68122  43.17812 20.68122  0.000000       0.000000  
1 1 1 49 0  5  o 62.39199 20.19360  54.29243       22.19538  54.29243       22.19538  54.29243       22.19538  62.39199 20.19360  62.39199 20.19360  0.000000       0.000000  
1 1 1 49 0  6  o 39.74253 21.71695  28.30411       24.23480  28.30411       24.23480  28.30411       24.23480  39.74253 21.71695  39.74253 21.71695  0.000000       0.000000  
1 1 1 49 0  7  o 32.94947 19.41884  17.93547       21.39486  17.93547       21.39486  17.93547       21.39486  32.94947 19.41884  32.94947 19.41884  0.000000       0.000000  
1 1 1 49 1  0  o 57.71867 17.99288  44.41935       18.15466  44.41935       18.15466  44.41935       18.15466  57.71867 17.99288  57.71867 17.99288  0.000000       0.000000  
1 1 1 49 1  1  o 75.15304 7.035300  63.46506       6.675768  36.32838       13.35154  90.60175       13.35154  56.67947 12.13021  93.62661 7.130204  -36.94714      14.07060  
1 1 1 49 1  2  o 30.67960 7.532131  -4.469572      5.880013  -31.86833      11.76003  22.92919       11.76003  16.52070 8.262161  44.83849 12.59637  -28.31779      15.06426  
1 1 1 49 1  3  o 54.11823 7.479434  32.75462       5.555993  44.20016       11.11199  21.30909       11.11199  64.91439 8.558953  43.32207 12.26834  21.59232       14.95887  
1 1 1 49 1  4  o 74.04182 7.679616  60.86337       7.633533  75.29655       15.26707  46.43018       15.26707  84.25938 9.059566  63.82427 12.40283  20.43511       15.35923  
1 1 1 49 1  5  o 69.16788 8.077250  53.32513       7.728833  55.96971       15.45767  50.68056       15.45767  71.58320 10.79699  66.75256 12.01636  4.830643       16.15450  
1 1 1 49 1  6  o 115.0891 5.258367  138.4471       8.553178  133.0293       17.10636  143.8649       17.10636  112.7354 7.586953  117.4428 7.282845  -4.707481      10.51673  
1 1 1 49 1  7  o 34.52815 14.81436  6.108732       18.35479  6.108732       18.35479  ?              ?         34.52815 14.81436  ?        ?         ?              ?         
1 1 1 49 1  8  o 21.93892 10.80623  -28.37082      16.65845  -28.37082      16.65845  ?              ?         21.93892 10.80623  ?        ?         ?              ?         
1 1 1 49 1  9  o 39.20923 15.22544  17.20166       17.11589  17.20166       17.11589  ?              ?         39.20923 15.22544  ?        ?         ?              ?         
1 1 1 49 2  0  o 102.4818 8.882706  110.0334       17.94500  110.0334       17.94500  110.0334       17.94500  102.4818 8.882706  102.4818 8.882706  0.000000       0.000000  
1 1 1 49 2  1  o 54.95789 8.717597  34.52720       6.656708  26.95085       13.31342  42.10356       13.31342  48.29337 13.34756  61.62242 11.21733  -13.32905      17.43519  
1 1 1 49 2  2  o 101.0672 4.584542  105.1636       6.532818  95.96713       13.06564  114.3600       13.06564  96.51752 6.768531  105.6169 6.185393  -9.099342      9.169085  
1 1 1 49 2  3  o 65.53543 6.541928  47.12111       5.608407  62.82178       11.21681  31.42042       11.21681  77.91611 7.198008  53.15476 10.92593  24.76135       13.08386  
1 1 1 49 2  4  o 48.55765 9.880919  27.86096       7.290452  21.58546       14.58090  34.13647       14.58090  43.24569 14.39573  53.86961 13.53858  -10.62392      19.76184  
1 1 1 49 2  5  o 46.24236 10.15230  23.24844       8.515059  42.34181       17.03012  4.155082       17.03012  59.32369 14.46404  33.16103 14.25020  26.16265       20.30460  
1 1 1 49 2  6  o 45.66093 15.76967  25.02579       17.52568  25.02579       17.52568  ?              ?         45.66093 15.76967  ?        ?         ?              ?         
1 1 1 49 2  7  o 50.23094 15.18526  31.52525       16.54409  31.52525       16.54409  ?              ?         50.23094 15.18526  ?        ?         ?              ?         
1 1 1 49 2  8  o 32.83066 14.33054  4.231322       17.74487  4.231322       17.74487  ?              ?         32.83066 14.33054  ?        ?         ?              ?         
1 1 1 49 2  9  o 43.89220 15.87671  24.36822       17.94500  24.36822       17.94500  ?              ?         43.89220 15.87671  ?        ?         ?              ?         
1 1 1 49 3  0  o 39.07835 19.57795  25.41652       18.55492  25.41652       18.55492  25.41652       18.55492  39.07835 19.57795  39.07835 19.57795  0.000000       0.000000  
1 1 1 49 3  1  o 99.11275 4.903712  101.7376       6.828248  88.72433       13.65650  114.7508       13.65650  92.54788 7.378071  105.6776 6.461396  -13.12972      9.807424  
1 1 1 49 3  2  o 86.28015 5.117507  77.16444       6.223093  70.07412       12.44619  84.25476       12.44619  82.17125 7.573321  90.38905 6.884787  -8.217796      10.23501  
1 1 1 49 3  3  o 40.49503 8.680214  18.32620       5.508343  22.76718       11.01669  13.88521       11.01669  44.74765 12.04277  36.24241 12.50425  8.505241       17.36043  
1 1 1 49 3  4  o 55.29841 9.827361  36.56662       7.976613  23.95843       15.95323  49.17482       15.95323  45.11364 15.05794  65.48318 12.63196  -20.36954      19.65472  
1 1 1 49 3  5  o 43.80556 9.598382  19.24108       7.933728  -1.172190      15.86746  39.65435       15.86746  29.85896 13.25348  57.75216 13.88744  -27.89320      19.19676  
1 1 1 49 3  6  o 52.59410 15.68695  34.48908       17.73534  34.48908       17.73534  ?              ?         52.59410 15.68695  ?        ?         ?              ?         
1 1 1 49 3  7  f 35.64043 14.91609  9.015384       17.84017  9.015384       17.84017  ?              ?         35.64043 14.91609  ?        ?         ?              ?         
1 1 1 49 3  8  o 93.75358 6.867768  96.64377       9.082094  89.31519       18.16419  103.9723       18.16419  89.84515 10.10861  97.66200 9.299517  -7.816849      13.73554  
1 1 1 49 4  0  o 158.8895 6.089314  256.6335       19.28873  256.6335       19.28873  256.6335       19.28873  158.8895 6.089314  158.8895 6.089314  0.000000       0.000000  
1 1 1 49 4  1  o 49.72541 8.912772  28.39941       6.447048  19.70805       12.89410  37.09077       12.89410  41.86940 13.53168  57.58142 11.60360  -15.71202      17.82554  
1 1 1 49 4  2  o 24.25320 7.949444  -8.686599      6.504228  -7.404812      13.00846  -9.968384      13.00846  24.75352 11.38345  23.75287 11.09918  1.000650       15.89889  
1 1 1 49 4  3  o 76.18490 5.556867  61.94503       5.741827  42.60865       11.48365  81.28140       11.48365  63.49447 9.043036  88.87533 6.460542  -25.38086      11.11373  
1 1 1 49 4  4  o 42.54780 9.335137  19.03618       7.152268  3.402211       14.30454  34.67015       14.30454  30.78366 13.13857  54.31195 13.26489  -23.52830      18.67027  
1 1 1 49 4  5  f 70.75749 8.597545  56.82742       8.300633  46.67796       16.60127  66.97687       16.60127  63.03242 13.55768  78.48257 10.57640  -15.45015      17.19509  
1 1 1 49 4  6  o 47.72797 9.718818  26.19321       7.943258  7.852723       15.88652  44.53371       15.88652  34.08812 14.15859  61.36783 13.31750  -27.27972      19.43764  
1 1 1 49 4  7  o 59.48811 10.32273  44.14774       8.982028  59.84842       17.96406  28.44706       17.96406  71.36420 13.07338  47.61203 15.97879  23.75216       20.64546  
1 1 1 49 4  8  o 70.36031 8.920645  64.33229       9.186924  114.2647       18.37385  14.39984       18.37385  102.6749 8.947588  38.04575 15.43542  64.62911       17.84129  
1 1 1 49 5  0  o 20.52570 14.21576  -9.720604      18.71693  -9.720604      18.71693  -9.720604      18.71693  20.52570 14.21576  20.52570 14.21576  0.000000       0.000000  
1 1 1 49 5  1  o 77.90433 7.304278  69.09253       7.061733  101.3516       14.12347  36.83347       14.12347  99.02501 7.131262  56.78364 12.74971  42.24137       14.60856  
1 1 1 49 5  2  o 101.1351 4.447571  105.0445       6.356512  109.5855       12.71302  100.5034       12.71302  103.3802 6.148676  98.89010 6.427855  4.490082       8.895142  
1 1 1 49 5  3  o 91.81757 4.782590  87.40443       6.170677  76.41157       12.34135  98.39729       12.34135  85.83131 7.189308  97.80382 6.309240  -11.97250      9.565180  
1 1 1 49 5  4  o 46.55228 10.62987  25.75484       8.157682  19.00283       16.31536  32.50684       16.31536  41.43182 15.12367  51.67275 14.94160  -10.24093      21.25974  
1 1 1 49 5  5  f 72.18375 8.753049  59.30998       8.624654  48.94610       17.24931  69.67385       17.24931  64.44090 13.78491  79.92659 10.79072  -15.48569      17.50610  
1 1 1 49 5  6  o 40.14083 8.832442  4.483866       8.324459  42.48476       16.64892  -33.51702      16.64892  59.15485 14.22566  21.12681 10.47276  38.02803       17.66488  
1 1 1 49 5  7  o 60.79947 10.60859  45.98227       9.077329  46.95433       18.15466  45.01020       18.15466  61.55232 14.88830  60.04662 15.11647  1.505703       21.21719  
1 1 1 49 5  8  o 85.63187 7.435201  81.89132       8.986794  76.63075       17.97359  87.15189       17.97359  82.56026 10.88513  88.70349 10.13127  -6.143234      14.87040  
1 1 1 49 6  0  o 92.68828 10.78668  92.52681       19.53651  92.52681       19.53651  92.52681       19.53651  92.68828 10.78668  92.68828 10.78668  0.000000       0.000000  
1 1 1 49 6  1  o 103.6237 4.453450  110.3050       6.518523  104.2296       13.03705  116.3804       13.03705  100.6922 6.473710  106.5551 6.117511  -5.862915      8.906899  
1 1 1 49 6  2  o 48.17595 8.154455  25.86443       6.246917  9.034444       12.49383  42.69442       12.49383  33.11087 12.97716  63.24102 9.877952  -30.13015      16.30891  
1 1 1 49 6  3  o 51.37675 7.900246  29.78602       5.579817  30.02904       11.15963  29.54301       11.15963  51.60955 11.12889  51.14396 11.21621  0.4655876      15.80049  
1 1 1 49 6  4  o 117.8589 4.605004  143.6743       7.666887  151.2793       15.33377  136.0694       15.33377  121.0852 6.331813  114.6326 6.688227  6.452591       9.210008  
1 1 1 49 6  5  o 91.76291 6.638663  90.04424       8.615124  89.81076       17.23025  90.27773       17.23025  91.63569 9.401494  91.89013 9.375462  -0.2544403     13.27733  
1 1 1 49 6  6  o 50.94851 15.73163  32.81180       17.63051  32.81180       17.63051  ?              ?         50.94851 15.73163  ?        ?         ?              ?         
1 1 1 49 6  7  o 35.22961 14.74166  8.948673       17.42085  8.948673       17.42085  ?              ?         35.22961 14.74166  ?        ?         ?              ?         
1 1 1 49 6  8  o 74.06688 8.841380  65.52354       8.724718  45.34376       17.44944  85.70332       17.44944  59.95394 14.65551  88.17982 9.894236  -28.22588      17.68276  
1 1 1 49 7  0  o 20.49391 14.23882  -11.04527      19.26967  -11.04527      19.26967  -11.04527      19.26967  20.49391 14.23882  20.49391 14.23882  0.000000       0.000000  
1 1 1 49 7  1  f 116.7208 4.093434  140.5390       6.666237  114.6936       13.33247  166.3843       13.33247  105.6493 6.309778  127.7922 5.216465  -22.14291      8.186869  
1 1 1 49 7  2  o 82.58598 5.790248  71.53698       6.761538  72.98077       13.52308  70.09319       13.52308  83.46010 8.101521  81.71186 8.274855  1.748238       11.58050  
1 1 1 49 7  3  o 103.0200 4.531678  110.1764       6.537583  127.3685       13.07517  92.98425       13.07517  111.3641 5.870461  94.67592 6.905222  16.68814       9.063355  
1 1 1 49 7  4  o 48.55531 10.42113  28.40417       7.781249  27.08427       15.56250  29.72408       15.56250  47.46489 14.80538  49.64574 14.66973  -2.180851      20.84227  
1 1 1 49 7  5  o 85.25942 8.072893  81.90085       9.220279  62.06891       18.44056  101.7328       18.44056  73.14367 13.07776  97.37518 9.468819  -24.23151      16.14579  
1 1 1 49 7  6  o 69.58302 8.849010  56.00307       8.472174  48.91751       16.94435  63.08862       16.94435  63.91667 13.65502  75.24937 11.25880  -11.33271      17.69802  
1 1 1 49 7  7  o 69.88914 9.186810  58.26645       8.743778  73.34290       17.48756  43.18998       17.48756  81.15546 10.77411  58.62283 14.88316  22.53263       18.37362  
1 1 1 49 7  8  o 33.11744 14.70220  2.344381       19.53651  2.344381       19.53651  ?              ?         33.11744 14.70220  ?        ?         ?              ?         
1 1 1 49 8  0  o 24.16512 16.16573  -1.991771      20.81353  -1.991771      20.81353  -1.991771      20.81353  24.16512 16.16573  24.16512 16.16573  0.000000       0.000000  
1 1 1 49 8  1  o 126.7040 4.123337  164.7070       7.376224  154.0335       14.75245  175.3807       14.75245  122.4920 6.021801  130.9160 5.634317  -8.424049      8.246674  
1 1 1 49 8  2  o 100.1738 4.679318  103.7388       6.628118  105.6877       13.25624  101.7900       13.25624  101.1466 6.552985  99.20105 6.681500  1.945503       9.358636  
1 1 1 49 8  3  o 75.05551 6.024791  60.04856       6.299332  48.76503       12.59866  71.33208       12.59866  67.53873 9.326994  82.57230 7.628869  -15.03358      12.04958  
1 1 1 49 8  4  o 144.6826 4.399149  215.6402       9.001088  214.4918       18.00218  216.7885       18.00218  144.2857 6.238378  145.0794 6.204248  -0.7937012     8.798298  
1 1 1 49 8  5  o 116.9225 5.072361  142.8643       8.372108  133.3533       16.74422  152.3752       16.74422  112.8553 7.418445  120.9897 6.919687  -8.134392      10.14472  
1 1 1 49 8  6  o 40.48846 15.38197  18.01171       17.21119  18.01171       17.21119  ?              ?         40.48846 15.38197  ?        ?         ?              ?         
1 1 1 49 8  7  o 35.50376 14.86189  9.844495       17.71628  9.844495       17.71628  ?              ?         35.50376 14.86189  ?        ?         ?              ?         
1 1 1 49 8  8  f 51.61406 15.51161  34.66063       17.29696  34.66063       17.29696  ?              ?         51.61406 15.51161  ?        ?         ?              ?         
1 1 1 49 9  0  o 33.86341 18.35221  19.21249       17.19213  19.21249       17.19213  19.21249       17.19213  33.86341 18.35221  33.86341 18.35221  0.000000       0.000000  
1 1 1 49 9  1  o 72.64127 6.473048  56.28421       6.632883  60.62989       13.26577  51.93852       13.26577  75.63245 8.769890  69.65007 9.523153  5.982384       12.94610  
1 1 1 49 9  2  o 110.5286 4.390127  126.1677       6.837778  138.0898       13.67556  114.2457       13.67556  115.9217 5.898615  105.1354 6.503784  10.78638       8.780254  
1 1 1 49 9  3  o 31.09082 8.920434  2.982891       6.742478  -9.091624      13.48496  15.05741       13.48496  24.40641 11.36417  37.77524 13.75326  -13.36883      17.84087  
1 1 1 49 9  4  o 45.70745 10.64388  23.80118       8.600828  10.85467       17.20166  36.74770       17.20166  36.67813 14.91593  54.73676 15.18828  -18.05862      21.28776  
1 1 1 49 9  5  o 46.97380 10.35986  27.01756       7.638299  29.12369       15.27660  24.91143       15.27660  48.68954 14.56647  45.25806 14.73516  3.431480       20.71972  
1 1 1 49 9  6  o 99.24088 6.364423  106.2071       8.858138  91.52616       17.71628  120.8881       17.71628  91.84424 9.644741  106.6375 8.306775  -14.79327      12.72885  
1 1 1 49 9  7  o 40.80817 15.88035  19.18390       18.64069  19.18390       18.64069  ?              ?         40.80817 15.88035  ?        ?         ?              ?         
1 1 1 49 10 0  o 20.83481 14.48927  -11.86486      20.36562  -11.86486      20.36562  -11.86486      20.36562  20.83481 14.48927  20.83481 14.48927  0.000000       0.000000  
1 1 1 49 10 1  o 49.88003 9.207085  28.98551       7.376224  47.02104       14.75245  10.94998       14.75245  64.31225 11.91695  35.44781 14.03809  28.86443       18.41417  
1 1 1 49 10 2  o 28.60568 8.869232  -1.805936      7.109383  6.451812       14.21877  -10.06368      14.21877  32.40624 13.42335  24.80512 11.59598  7.601120       17.73846  
1 1 1 49 10 3  o 33.99395 9.488817  8.986794       6.914018  3.106781       13.82804  14.86681       13.82804  30.22902 12.91037  37.75889 13.90946  -7.529875      18.97763  
1 1 1 49 10 4  f 25.49158 8.479444  -14.22829      8.000438  -4.450512      16.00088  -24.00608      16.00088  28.45902 12.92645  22.52414 10.97774  5.934875       16.95889  
1 1 1 49 10 5  o 77.28143 7.674059  66.35742       8.295869  76.55452       16.59174  56.16031       16.59174  83.87881 9.890304  70.68404 11.73655  13.19476       15.34812  
1 1 1 49 10 6  o 38.57294 15.32412  15.09553       17.63051  15.09553       17.63051  ?              ?         38.57294 15.32412  ?        ?         ?              ?         
1 1 1 49 10 7  f 40.70213 15.95864  18.86941       18.89800  18.86941       18.89800  ?              ?         40.70213 15.95864  ?        ?         ?              ?         
1 1 1 49 10 8  o 93.13499 6.872203  97.11550       8.834312  75.06784       17.66863  119.1632       17.66863  81.29858 10.86650  104.9714 8.415925  -23.67281      13.74441  
1 1 1 49 11 0  o 42.25493 20.89687  30.72473       21.03272  30.72473       21.03272  30.72473       21.03272  42.25493 20.89687  42.25493 20.89687  0.000000       0.000000  
1 1 1 49 11 1  o 38.00414 9.378750  12.34612       7.185624  27.80855       14.37125  -3.116311      14.37125  48.31595 14.04010  27.69233 12.43863  20.62362       18.75750  
1 1 1 49 11 2  o 50.63504 9.342788  30.16246       7.347633  14.80962       14.69527  45.51530       14.69527  38.05225 14.27646  63.21784 12.05543  -25.16559      18.68558  
1 1 1 49 11 3  o 42.57274 7.928908  14.07105       6.999787  44.53371       13.99957  -16.39161      13.99957  62.63685 11.61103  22.50863 10.80066  40.12822       15.85782  
1 1 1 49 11 4  o 35.76558 9.328599  13.17047       6.308862  16.80140       12.61772  9.539534       12.61772  38.53823 13.37377  32.99292 13.00897  5.545311       18.65720  
1 1 1 49 11 5  o 63.04199 9.073452  46.53978       7.948023  38.68229       15.89605  54.39726       15.89605  56.31165 14.12611  69.77233 11.39137  -13.46068      18.14690  
1 1 1 49 11 6  o 35.42680 14.63029  10.54018       16.81093  10.54018       16.81093  ?              ?         35.42680 14.63029  ?        ?         ?              ?         
1 1 1 49 11 7  o 24.78581 12.05066  -24.33010      18.96471  -24.33010      18.96471  ?              ?         24.78581 12.05066  ?        ?         ?              ?         
1 1 1 49 12 0  o 46.09832 19.84924  33.74574       18.65975  33.74574       18.65975  33.74574       18.65975  46.09832 19.84924  46.09832 19.84924  0.000000       0.000000  
1 1 1 49 12 1  o 45.60405 8.737535  22.86724       6.856837  4.002602       13.71367  41.73189       13.71367  30.59097 12.95286  60.61713 11.73036  -30.02617      17.47507  
1 1 1 49 12 2  o 31.55739 8.720431  -1.586745      7.090323  21.02319       14.18065  -24.19668      14.18065  42.43794 14.19677  20.67683 10.13092  21.76111       17.44086  
1 1 1 49 12 3  o 52.42997 9.127895  32.96905       7.042673  20.09878       14.08535  45.83932       14.08535  41.46657 14.14900  63.39338 11.53602  -21.92681      18.25579  
1 1 1 49 12 4  o 57.42554 8.063090  38.28679       6.385102  52.05288       12.77020  24.52070       12.77020  69.55744 9.179611  45.29363 13.25852  24.26381       16.12618  
1 1 1 49 12 5  o 29.39709 13.36983  -3.954952      17.23978  -3.954952      17.23978  ?              ?         29.39709 13.36983  ?        ?         ?              ?         
1 1 1 49 12 6  f 32.43345 14.05895  4.707822       16.84905  4.707822       16.84905  ?              ?         32.43345 14.05895  ?        ?         ?              ?         
1 1 1 49 13 0  o 45.57228 21.57403  35.74704       22.12867  35.74704       22.12867  35.74704       22.12867  45.57228 21.57403  45.57228 21.57403  0.000000       0.000000  
1 1 1 49 13 1  o 42.00238 10.15244  18.28331       8.138623  3.059131       16.27725  33.50750       16.27725  31.88286 13.81928  52.12189 14.87669  -20.23904      20.30489  
1 1 1 49 13 2  o 53.44336 9.591170  34.68921       7.938493  16.62033       15.87699  52.75810       15.87699  39.26502 14.81570  67.62169 12.18430  -28.35667      19.18234  
1 1 1 49 13 3  o 40.58939 8.957116  14.54279       7.295218  -7.509643      14.59044  36.59521       14.59044  25.89603 11.96620  55.28275 13.33154  -29.38672      17.91423  
1 1 1 49 13 4  o 88.96838 5.441787  83.79256       6.794893  72.51380       13.58979  95.07132       13.58979  82.62975 8.223302  95.30701 7.129479  -12.67727      10.88357  
1 1 1 49 13 5  o 61.27294 9.657868  46.13952       8.457878  32.22094       16.91576  60.05808       16.91576  49.94784 15.40677  72.59805 11.65028  -22.65020      19.31574  
1 1 1 49 13 6  o 86.39511 7.178280  82.79191       8.729484  91.13543       17.45897  74.44839       17.45897  91.22382 9.569304  81.56641 10.70230  9.657402       14.35656  
1 1 1 49 14 0  o 31.71833 19.65289  14.47608       24.13950  14.47608       24.13950  14.47608       24.13950  31.71833 19.65289  31.71833 19.65289  0.000000       0.000000  
1 1 1 49 14 1  o 81.96791 7.093826  74.25303       7.981378  55.33120       15.96276  93.17485       15.96276  70.42570 11.33305  93.51012 8.535309  -23.08443      14.18765  
1 1 1 49 14 2  o 74.48729 7.392820  60.94914       7.786013  59.62923       15.57203  62.26904       15.57203  73.60130 10.57864  75.37328 10.32994  -1.771980      14.78564  
1 1 1 49 14 3  o 26.34978 12.20054  -7.948023      15.26707  -7.948023      15.26707  ?              ?         26.34978 12.20054  ?        ?         ?              ?         
1 1 1 49 14 4  o 137.9376 4.065365  196.7517       7.914669  210.6131       15.82934  182.8903       15.82934  142.9621 5.536199  132.9131 5.954769  10.04903       8.130730  
1 1 1 49 14 5  o 55.06269 15.98142  39.98790       18.63116  39.98790       18.63116  ?              ?         55.06269 15.98142  ?        ?         ?              ?         
1 1 1 49 14 6  o 25.29814 12.21301  -20.40374      18.58351  -20.40374      18.58351  ?              ?         25.29814 12.21301  ?        ?         ?              ?         
1 1 1 49 15 1  o 57.94673 9.067854  40.04984       7.566823  55.49321       15.13365  24.60647       15.13365  70.92876 10.66820  44.96471 14.66606  25.96405       18.13571  
1 1 1 49 15 2  o 67.27570 8.423854  52.30066       7.700243  40.47393       15.40049  64.12740       15.40049  57.98117 13.51714  76.57022 10.05645  -18.58905      16.84771  
1 1 1 49 15 3  f 80.61099 6.542066  70.49820       7.457228  69.39749       14.91446  71.59892       14.91446  79.92825 9.329903  81.29372 9.173191  -1.365471      13.08413  
1 1 1 49 15 4  o 151.3738 3.855238  236.5251       8.238688  220.8864       16.47738  252.1639       16.47738  146.2082 5.634902  156.5394 5.263013  -10.33121      7.710476  
1 1 1 49 15 5  o 42.80353 14.02882  22.50987       13.84710  22.50987       13.84710  ?              ?         42.80353 14.02882  ?        ?         ?              ?         
1 1 1 49 16 1  o 59.25376 9.585459  42.58958       7.862253  41.77954       15.72451  43.39964       15.72451  58.59445 13.65762  59.91307 13.45339  -1.318619      19.17092  
1 1 1 49 16 2  o 28.70826 13.09551  -4.431452      16.81093  -4.431452      16.81093  ?              ?         28.70826 13.09551  ?        ?         ?              ?         
1 1 1 49 16 3  o 61.05179 9.238754  46.22052       8.191037  68.39684       16.38207  24.04420       16.38207  78.33241 10.45677  43.77116 15.23399  34.56125       18.47751  
1 1 1 49 16 4  o 94.48438 6.298984  96.74383       8.395933  104.0009       16.79187  89.48673       16.79187  98.32475 8.538982  90.64401 9.262535  7.680740       12.59797  
1 1 1 49 16 5  o 88.53981 6.788166  86.68015       8.419759  99.12156       16.83952  74.23873       16.83952  95.56570 8.810440  81.51392 10.32923  14.05177       13.57633  
1 1 1 49 17 1  o 56.72483 14.84103  40.96949       17.03012  40.96949       17.03012  ?              ?         56.72483 14.84103  ?        ?         ?              ?         
1 1 1 49 17 2  o 36.21654 14.44859  12.90362       15.73404  12.90362       15.73404  ?              ?         36.21654 14.44859  ?        ?         ?              ?         
1 1 1 49 17 3  o 59.14751 14.73229  44.22874       17.38272  44.22874       17.38272  ?              ?         59.14751 14.73229  ?        ?         ?              ?         
1 1 1 49 17 4  o 82.43555 7.128361  76.20667       8.100503  93.92772       16.20101  58.48564       16.20101  93.18398 8.693022  71.68713 11.29980  21.49684       14.25672  
1 1 1 49 17 5  o 48.69773 15.22209  32.24953       16.43926  32.24953       16.43926  ?              ?         48.69773 15.22209  ?        ?         ?              ?         
1 1 1 49 18 1  o 28.73104 12.82466  -0.7338103     15.06694  -0.7338103     15.06694  ?              ?         28.73104 12.82466  ?        ?         ?              ?         
1 1 1 49 18 2  o 90.65654 6.716248  90.22054       8.553178  101.2086       17.10636  79.23246       17.10636  96.71683 8.843527  84.59625 10.11059  12.12057       13.43250  
1 1 1 49 18 3  o 38.90459 15.43349  16.60127       17.85923  16.60127       17.85923  ?              ?         38.90459 15.43349  ?        ?         ?              ?         
1 1 1 49 18 4  o 76.15928 7.954940  67.31995       8.557944  70.55062       17.11589  64.08927       17.11589  78.28027 10.93244  74.03828 11.55881  4.241989       15.90988  
1 1 1 49 19 1  o 35.09117 14.86801  9.310814       18.08795  9.310814       18.08795  ?              ?         35.09117 14.86801  ?        ?         ?              ?         
1 1 1 49 19 2  o 50.99907 15.65162  34.89887       17.48756  34.89887       17.48756  ?              ?         50.99907 15.65162  ?        ?         ?              ?         
1 1 1 49 19 3  f 54.80059 15.22154  40.80748       17.26837  40.80748       17.26837  ?              ?         54.80059 15.22154  ?        ?         ?              ?         
1 1 1 50 0  0  o 42.83154 23.55220  29.87656       28.64719  29.87656       28.64719  29.87656       28.64719  42.83154 23.55220  42.83154 23.55220  0.000000       0.000000  
1 1 1 50 0  1  o 28.08812 17.59701  9.005854       19.90818  9.005854       19.90818  9.005854       19.90818  28.08812 17.59701  28.08812 17.59701  0.000000       0.000000  
1 1 1 50 0  2  o 19.81300 13.77064  -10.48301      18.16419  -10.48301      18.16419  -10.48301      18.16419  19.81300 13.77064  19.81300 13.77064  0.000000       0.000000  
1 1 1 50 0  3  o 75.46161 10.94150  61.57335       15.93417  61.57335       15.93417  61.57335       15.93417  75.46161 10.94150  75.46161 10.94150  0.000000       0.000000  
1 1 1 50 0  4  o 25.44595 16.95129  0.1810701      22.31927  0.1810701      22.31927  0.1810701      22.31927  25.44595 16.95129  25.44595 16.95129  0.000000       0.000000  
1 1 1 50 1  0  o 41.89733 20.54425  30.01951       20.26079  30.01951       20.26079  30.01951       20.26079  41.89733 20.54425  41.89733 20.54425  0.000000       0.000000  
1 1 1 50 1  1  o 72.22893 6.789168  55.99354       6.933078  54.59740       13.86616  57.38968       13.86616  71.26246 9.728935  73.19540 9.472013  -1.932938      13.57834  
1 1 1 50 1  2  o 125.9020 3.931286  163.0298       6.952137  141.6540       13.90427  184.4056       13.90427  117.4129 5.921101  134.3911 5.173066  -16.97813      7.862573  
1 1 1 50 1  3  o 54.04141 7.762793  33.29307       5.832363  20.71823       11.66473  45.86791       11.66473  42.34841 12.74050  65.73441 8.872619  -23.38599      15.52559  
1 1 1 50 1  4  o 91.61933 6.419968  90.12524       8.257749  101.8376       16.51550  78.41287       16.51550  98.01120 8.425311  85.22746 9.689070  12.78374       12.83994  
1 1 1 50 1  5  o 79.38380 7.045807  68.80186       7.871783  75.96366       15.74357  61.64006       15.74357  83.89468 9.382935  74.87294 10.51352  9.021736       14.09161  
1 1 1 50 1  6  o 66.30622 9.895424  53.43950       8.986794  52.02429       17.97359  54.85470       17.97359  65.23801 14.17216  67.37443 13.81404  -2.136414      19.79085  
1 1 1 50 1  7  o 61.67354 15.06616  48.46007       18.45009  48.46007       18.45009  ?              ?         61.67354 15.06616  ?        ?         ?              ?         
1 1 1 50 2  0  o 25.09132 16.47966  2.058481       20.02254  2.058481       20.02254  2.058481       20.02254  25.09132 16.47966  25.09132 16.47966  0.000000       0.000000  
1 1 1 50 2  1  o 118.0841 4.379565  144.0555       7.280923  128.7980       14.56185  159.3131       14.56185  111.6236 6.522743  124.5446 5.846039  -12.92091      8.759130  
1 1 1 50 2  2  o 36.30901 9.439517  12.56055       6.656708  5.260562       13.31342  19.86053       13.31342  31.03552 12.93041  41.58250 13.75581  -10.54698      18.87903  
1 1 1 50 2  3  o 72.82182 5.411855  55.58851       5.551227  50.11830       11.10245  61.05873       11.10245  69.06593 8.037577  76.57771 7.249142  -7.511780      10.82371  
1 1 1 50 2  4  o 59.73466 9.281038  43.02797       8.252983  66.10963       16.50597  19.94630       16.50597  77.64230 10.62949  41.82702 15.21725  35.81528       18.56208  
1 1 1 50 2  5  o 75.88931 9.103956  66.73862       9.563358  69.06394       19.12672  64.41330       19.12672  77.99280 12.26185  73.78582 13.46013  4.206978       18.20791  
1 1 1 50 2  6  o 38.47022 15.14242  15.34331       17.06824  15.34331       17.06824  ?              ?         38.47022 15.14242  ?        ?         ?              ?         
1 1 1 50 2  7  o 62.58641 9.685608  48.64114       8.691362  30.47695       17.38272  66.80533       17.38272  48.40751 15.71803  76.76532 11.32199  -28.35781      19.37122  
1 1 1 50 3  0  o 142.8044 6.996204  209.3075       19.87959  209.3075       19.87959  209.3075       19.87959  142.8044 6.996204  142.8044 6.996204  0.000000       0.000000  
1 1 1 50 3  1  o 32.50872 8.985754  6.575703       6.499463  -3.507041      12.99893  16.65845       12.99893  26.16817 11.78794  38.84927 13.56538  -12.68111      17.97151  
1 1 1 50 3  2  o 53.13034 7.774904  32.24477       6.856837  62.62165       13.71367  1.867881       13.71367  76.78116 8.930366  29.47952 12.72969  47.30164       15.54981  
1 1 1 50 3  3  o 65.62306 6.570097  46.14428       6.061082  40.71218       12.12216  51.57638       12.12216  61.48420 9.857952  69.76193 8.688238  -8.277733      13.14019  
1 1 1 50 3  4  o 95.00146 6.045989  96.11963       8.100503  103.8675       16.20101  88.37173       16.20101  99.07924 8.175783  90.92368 8.909124  8.155563       12.09198  
1 1 1 50 3  5  o 123.1596 5.240779  159.2130       9.124979  163.7731       18.24996  154.6529       18.24996  125.0109 7.299348  121.3083 7.522141  3.702599       10.48156  
1 1 1 50 3  6  o 60.26701 10.01959  44.91967       8.438819  38.30109       16.87764  51.53827       16.87764  55.01967 14.95028  65.51434 13.34384  -10.49467      20.03918  
1 1 1 50 3  7  o 32.25277 14.21629  2.801821       17.83064  2.801821       17.83064  ?              ?         32.25277 14.21629  ?        ?         ?              ?         
1 1 1 50 4  0  o 62.23116 18.12762  51.14753       19.56510  51.14753       19.56510  51.14753       19.56510  62.23116 18.12762  62.23116 18.12762  0.000000       0.000000  
1 1 1 50 4  1  o 27.58195 8.751631  -3.688112      7.171328  -8.624654      14.34266  1.248430       14.34266  25.46737 11.80476  29.69654 12.92330  -4.229162      17.50326  
1 1 1 50 4  2  o 66.45947 7.839306  50.27077       6.899723  32.83086       13.79945  67.71068       13.79945  52.91621 13.09348  80.00274 8.624358  -27.08652      15.67861  
1 1 1 50 4  3  o 53.35539 6.856984  32.61168       6.213562  -4.460042      12.42712  69.68339       12.42712  25.12024 11.40511  81.59055 7.615541  -56.47031      13.71397  
1 1 1 50 4  4  o 33.74613 14.47307  5.422573       17.50662  5.422573       17.50662  ?              ?         33.74613 14.47307  ?        ?         ?              ?         
1 1 1 50 4  5  o 53.77143 15.93239  36.84299       18.33573  36.84299       18.33573  ?              ?         53.77143 15.93239  ?        ?         ?              ?         
1 1 1 50 4  6  o 56.21184 15.69205  40.95996       18.30714  40.95996       18.30714  ?              ?         56.21184 15.69205  ?        ?         ?              ?         
1 1 1 50 4  7  o 84.77583 7.847843  81.20992       9.363228  89.39144       18.72646  73.02842       18.72646  89.60120 10.44989  79.95045 11.71129  9.650757       15.69569  
1 1 1 50 5  0  o 19.44540 13.52503  -11.00715      17.80205  -11.00715      17.80205  -11.00715      17.80205  19.44540 13.52503  19.44540 13.52503  0.000000       0.000000  
1 1 1 50 5  1  o 53.88141 8.649856  33.67427       6.499463  26.03597       12.99893  41.31257       12.99893  47.06588 13.25011  60.69695 11.12270  -13.63107      17.29971  
1 1 1 50 5  2  o 42.48352 9.713228  20.45139       6.942607  12.64631       13.88521  28.25646       13.88521  36.16156 13.79323  48.80548 13.67969  -12.64392      19.42646  
1 1 1 50 5  3  o 71.30100 6.343124  54.34009       6.370807  49.11764       12.74161  59.56252       12.74161  67.63876 9.418872  74.96325 8.498574  -7.324493      12.68625  
1 1 1 50 5  4  o 41.11703 10.03705  17.79728       7.828898  4.412392       15.65780  31.18217       15.65780  31.98007 13.70064  50.25400 14.67180  -18.27393      20.07409  
1 1 1 50 5  5  o 63.35519 10.17003  48.95564       8.905789  49.49884       17.81158  48.41242       17.81158  63.76707 14.31811  62.94332 14.44679  0.8237534      20.34006  
1 1 1 50 5  6  o 41.08098 15.34643  19.96536       16.94435  19.96536       16.94435  ?              ?         41.08098 15.34643  ?        ?         ?              ?         
1 1 1 50 6  0  o 32.62543 19.31045  16.69657       21.30909  16.69657       21.30909  16.69657       21.30909  32.62543 19.31045  32.62543 19.31045  0.000000       0.000000  
1 1 1 50 6  1  o 164.9969 3.456116  277.7758       8.043323  254.9657       16.08665  300.5859       16.08665  158.0847 5.087985  171.9092 4.678821  -13.82454      6.912233  
1 1 1 50 6  2  f 43.05461 9.492730  21.09466       6.804423  30.55319       13.60885  11.63613       13.60885  50.86187 13.24812  35.24736 13.59908  15.61451       18.98546  
1 1 1 50 6  3  f 29.29063 8.629066  1.219840       6.451812  12.28417       12.90362  -9.844495      12.90362  35.20607 13.33523  23.37519 10.95513  11.83088       17.25813  
1 1 1 50 6  4  o 60.94775 9.903452  45.27229       8.820019  28.59954       17.64004  61.94503       17.64004  47.77436 15.83402  74.12113 11.89947  -26.34677      19.80690  
1 1 1 50 6  5  o 25.08053 12.04126  -18.60257      17.45897  -18.60257      17.45897  ?              ?         25.08053 12.04126  ?        ?         ?              ?         
1 1 1 50 6  6  o 50.20969 16.58606  33.73621       19.35544  33.73621       19.35544  ?              ?         50.20969 16.58606  ?        ?         ?              ?         
1 1 1 50 6  7  o 47.95047 16.38476  30.39118       18.88847  30.39118       18.88847  ?              ?         47.95047 16.38476  ?        ?         ?              ?         
1 1 1 50 7  0  o 19.89263 14.03721  -16.51550      20.67058  -16.51550      20.67058  -16.51550      20.67058  19.89263 14.03721  19.89263 14.03721  0.000000       0.000000  
1 1 1 50 7  1  o 38.36540 10.02988  15.49579       7.214212  16.48691       14.42842  14.50467       14.42842  39.07996 14.22645  37.65085 14.14222  1.429111       20.05976  
1 1 1 50 7  2  o 29.22777 8.976623  0.6194502      7.023612  6.051552       14.04722  -4.812652      14.04722  31.90003 13.28574  26.55551 12.07510  5.344522       17.95325  
1 1 1 50 7  3  o 81.02999 5.422536  69.49278       6.146852  58.33315       12.29370  80.65242       12.29370  74.14388 8.290439  87.91610 6.991725  -13.77222      10.84507  
1 1 1 50 7  4  o 72.63943 8.799594  61.91167       8.538883  42.65630       17.07777  81.16705       17.07777  58.90590 14.56012  86.37296 9.886062  -27.46705      17.59919  
1 1 1 50 7  5  o 51.03160 16.18820  33.83151       18.51680  33.83151       18.51680  ?              ?         51.03160 16.18820  ?        ?         ?              ?         
1 1 1 50 7  6  o 46.84813 15.91936  28.50424       17.83064  28.50424       17.83064  ?              ?         46.84813 15.91936  ?        ?         ?              ?         
1 1 1 50 8  0  o 154.3077 7.636252  245.5596       23.44381  245.5596       23.44381  245.5596       23.44381  154.3077 7.636252  154.3077 7.636252  0.000000       0.000000  
1 1 1 50 8  1  f 50.26921 9.945907  30.50554       7.671653  40.75030       15.34331  20.26079       15.34331  58.65602 13.37155  41.88239 14.72705  16.77363       19.89181  
1 1 1 50 8  2  o 87.98399 6.085070  83.25888       7.423873  100.9799       14.84775  65.53784       14.84775  98.05460 7.571163  77.91338 9.528367  20.14121       12.17014  
1 1 1 50 8  3  o 40.15610 8.250977  12.18411       6.914018  38.63464       13.82804  -14.26642      13.82804  57.46969 12.38436  22.84250 10.90606  34.62719       16.50195  
1 1 1 50 8  4  o 40.99394 15.37106  18.90753       17.03012  18.90753       17.03012  ?              ?         40.99394 15.37106  ?        ?         ?              ?         
1 1 1 50 8  5  o 27.44989 12.93198  -12.75115      18.61210  -12.75115      18.61210  ?              ?         27.44989 12.93198  ?        ?         ?              ?         
1 1 1 50 8  6  f 35.50886 14.86056  9.996975       17.70675  9.996975       17.70675  ?              ?         35.50886 14.86056  ?        ?         ?              ?         
1 1 1 50 9  0  o 27.52138 17.78675  6.137322       22.17632  6.137322       22.17632  6.137322       22.17632  27.52138 17.78675  27.52138 17.78675  0.000000       0.000000  
1 1 1 50 9  1  o 37.49506 10.33656  13.94240       7.905138  14.29501       15.81028  13.58979       15.81028  37.71672 14.63582  37.27340 14.60037  0.4433289      20.67313  
1 1 1 50 9  2  o 97.62176 5.162104  100.1079       7.095088  89.73451       14.19018  110.4813       14.19018  92.30869 7.686262  102.9348 6.892796  -10.62613      10.32421  
1 1 1 50 9  3  o 81.81493 6.362398  71.92771       7.338103  65.75703       14.67621  78.09838       14.67621  78.04381 9.402544  85.58605 8.573948  -7.542244      12.72480  
1 1 1 50 9  4  o 52.95723 15.85667  36.02341       18.09748  36.02341       18.09748  ?              ?         52.95723 15.85667  ?        ?         ?              ?         
1 1 1 50 9  5  o 31.17105 13.21040  5.517872       14.28548  5.517872       14.28548  ?              ?         31.17105 13.21040  ?        ?         ?              ?         
1 1 1 50 9  6  o 61.14950 15.31521  47.99310       18.70740  47.99310       18.70740  ?              ?         61.14950 15.31521  ?        ?         ?              ?         
1 1 1 50 10 0  o 113.7023 9.629148  137.2892       21.59499  137.2892       21.59499  137.2892       21.59499  113.7023 9.629148  113.7023 9.629148  0.000000       0.000000  
1 1 1 50 10 1  o 39.24272 9.955195  17.32555       7.042673  17.39226       14.08535  17.25884       14.08535  39.29249 14.08055  39.19296 14.07700  0.9953308E-01  19.91039  
1 1 1 50 10 2  o 67.43765 7.819277  50.48519       7.457228  50.77586       14.91446  50.19453       14.91446  67.65316 11.02273  67.22215 11.09341  0.4310074      15.63855  
1 1 1 50 10 3  o 35.02251 8.707949  7.423873       6.704357  -11.65520      13.40871  26.50294       13.40871  23.20792 10.94609  46.83710 13.54609  -23.62918      17.41590  
1 1 1 50 10 4  o 41.37070 15.30541  20.24173       16.77281  20.24173       16.77281  ?              ?         41.37070 15.30541  ?        ?         ?              ?         
1 1 1 50 10 5  o 23.72668 11.51420  -22.13820      17.17307  -22.13820      17.17307  ?              ?         23.72668 11.51420  ?        ?         ?              ?         
1 1 1 50 11 0  o 93.52013 12.48719  95.37627       23.13885  95.37627       23.13885  95.37627       23.13885  93.52013 12.48719  93.52013 12.48719  0.000000       0.000000  
1 1 1 50 11 1  o 56.38440 8.410606  37.81505       7.709774  6.204032       15.41955  69.42608       15.41955  32.72853 13.79024  80.04027 9.632368  -47.31174      16.82121  
1 1 1 50 11 2  o 27.15400 12.43988  -6.003902      15.37190  -6.003902      15.37190  ?              ?         27.15400 12.43988  ?        ?         ?              ?         
1 1 1 50 11 3  o 38.16986 14.48807  15.80075       15.25754  15.80075       15.25754  ?              ?         38.16986 14.48807  ?        ?         ?              ?         
1 1 1 50 11 4  o 37.61380 13.70358  16.06759       13.38966  16.06759       13.38966  ?              ?         37.61380 13.70358  ?        ?         ?              ?         
1 1 1 50 11 5  o 35.29832 14.71990  9.968384       17.27790  9.968384       17.27790  ?              ?         35.29832 14.71990  ?        ?         ?              ?         
1 1 1 50 12 1  o 49.04970 15.25823  30.31494       16.54409  30.31494       16.54409  ?              ?         49.04970 15.25823  ?        ?         ?              ?         
1 1 1 50 12 2  o 31.75802 13.54648  5.108082       15.19082  5.108082       15.19082  ?              ?         31.75802 13.54648  ?        ?         ?              ?         
1 1 1 50 12 3  o 96.20361 5.966485  99.49324       8.100503  106.4215       16.20101  92.56492       16.20101  99.80447 8.116373  92.60275 8.747584  7.201721       11.93297  
1 1 1 50 12 4  o 26.53044 12.06892  -3.897772      14.06629  -3.897772      14.06629  ?              ?         26.53044 12.06892  ?        ?         ?              ?         
1 1 1 50 13 1  f 58.54792 10.01787  42.57529       8.224394  46.46830       16.44879  38.68229       16.44879  61.69389 13.69188  55.40196 14.62749  6.291927       20.03574  
1 1 1 50 13 2  o 84.59670 6.480548  78.38428       7.633533  63.82244       15.26707  92.94612       15.26707  75.99007 10.04543  93.20333 8.190193  -17.21326      12.96110  
1 1 1 50 13 3  o 34.56011 13.89593  10.94044       14.70480  10.94044       14.70480  ?              ?         34.56011 13.89593  ?        ?         ?              ?         
1 1 1 50 13 4  o 92.33517 5.678665  91.41181       7.347633  78.08885       14.69527  104.7347       14.69527  85.12073 8.632013  99.54963 7.380874  -14.42890      11.35733  
1 1 1 50 13 5  o 33.68291 14.55346  6.823483       17.94500  6.823483       17.94500  ?              ?         33.68291 14.55346  ?        ?         ?              ?         
1 1 1 50 14 1  o 74.90781 8.370479  65.34724       8.457878  51.63356       16.91576  79.06091       16.91576  65.22350 13.42725  84.59212 9.998424  -19.36861      16.74096  
1 1 1 50 14 2  o 37.55988 15.01313  14.32360       17.02059  14.32360       17.02059  ?              ?         37.55988 15.01313  ?        ?         ?              ?         
1 1 1 50 14 3  o 28.83232 13.17443  -4.593462      17.11589  -4.593462      17.11589  ?              ?         28.83232 13.17443  ?        ?         ?              ?         
1 1 1 50 14 4  o 81.30333 6.699318  72.69964       7.685949  67.63444       15.37190  77.76483       15.37190  78.18833 9.830046  84.41833 9.104596  -6.229996      13.39864  
1 1 1 50 15 1  o 54.95721 15.93717  39.71152       18.53586  39.71152       18.53586  ?              ?         54.95721 15.93717  ?        ?         ?              ?         
1 1 1 50 15 2  o 39.58709 14.99791  17.97359       16.32490  17.97359       16.32490  ?              ?         39.58709 14.99791  ?        ?         ?              ?         
1 1 1 50 15 3  o 54.82777 14.72798  38.54887       16.49644  38.54887       16.49644  ?              ?         54.82777 14.72798  ?        ?         ?              ?         
1 1 1 50 15 4  o 39.66487 14.96625  19.55557       16.20101  19.55557       16.20101  ?              ?         39.66487 14.96625  ?        ?         ?              ?         
1 1 1 50 16 1  o 28.92537 13.24486  -4.612522      17.40179  -4.612522      17.40179  ?              ?         28.92537 13.24486  ?        ?         ?              ?         
1 1 1 50 16 2  o 115.2624 5.300459  142.5307       8.495998  170.6347       16.99200  114.4268       16.99200  127.4537 6.665948  103.0711 8.242851  24.38261       10.60092  
1 1 1 50 16 3  o 68.72641 8.966866  57.63746       8.457878  66.93875       16.91576  48.33618       16.91576  76.04529 11.12216  61.40752 14.06828  14.63776       17.93373  
1 1 1 50 16 4  o 30.89874 13.41162  6.947372       15.37190  6.947372       15.37190  ?              ?         30.89874 13.41162  ?        ?         ?              ?         
1 1 1 51 0  2  o 67.67709 17.68712  58.97166       20.64199  58.97166       20.64199  58.97166       20.64199  67.67709 17.68712  67.67709 17.68712  0.000000       0.000000  
1 1 1 51 0  3  o 17.93462 12.98699  -32.44966      22.59564  -32.44966      22.59564  -32.44966      22.59564  17.93462 12.98699  17.93462 12.98699  0.000000       0.000000  
1 1 1 51 1  0  o 144.0452 8.203220  215.7021       23.47240  215.7021       23.47240  215.7021       23.47240  144.0452 8.203220  144.0452 8.203220  0.000000       0.000000  
1 1 1 51 1  1  o 46.37055 10.26661  26.16939       7.638299  32.17329       15.27660  20.16549       15.27660  51.18181 14.34969  41.55930 14.68670  9.622509       20.53321  
1 1 1 51 1  2  o 41.34087 10.04578  19.83670       7.185624  24.17762       14.37125  15.49579       14.37125  44.70467 14.26960  37.97707 14.14389  6.727604       20.09157  
1 1 1 51 1  3  o 39.10859 14.57916  16.83952       15.27660  16.83952       15.27660  ?              ?         39.10859 14.57916  ?        ?         ?              ?         
1 1 1 51 1  4  o 48.09031 16.08439  30.03857       18.20231  30.03857       18.20231  ?              ?         48.09031 16.08439  ?        ?         ?              ?         
1 1 1 51 1  5  o 29.80007 13.72408  -5.775182      18.98377  -5.775182      18.98377  ?              ?         29.80007 13.72408  ?        ?         ?              ?         
1 1 1 51 2  0  o 32.89693 19.76955  17.39226       22.90060  17.39226       22.90060  17.39226       22.90060  32.89693 19.76955  32.89693 19.76955  0.000000       0.000000  
1 1 1 51 2  1  o 68.30465 7.573864  51.48108       7.314278  52.70092       14.62856  50.26124       14.62856  69.19759 10.57013  67.41171 10.85016  1.785873       15.14773  
1 1 1 51 2  2  o 92.54227 5.297656  90.03947       6.923548  95.28098       13.84710  84.79797       13.84710  95.37422 7.259349  89.71033 7.717672  5.663895       10.59531  
1 1 1 51 2  3  f 48.45900 9.182669  28.06586       6.975962  41.98920       13.95192  14.14252       13.95192  60.15366 12.02203  36.76435 13.88368  23.38931       18.36534  
1 1 1 51 2  4  o 33.62473 14.56890  5.451162       18.07842  5.451162       18.07842  ?              ?         33.62473 14.56890  ?        ?         ?              ?         
1 1 1 51 2  5  o 48.76525 16.68377  31.67773       19.58416  31.67773       19.58416  ?              ?         48.76525 16.68377  ?        ?         ?              ?         
1 1 1 51 2  6  o 52.26145 15.63598  35.95670       17.60192  35.95670       17.60192  ?              ?         52.26145 15.63598  ?        ?         ?              ?         
1 1 1 51 3  0  o 23.20192 15.87618  -6.204032      22.07149  -6.204032      22.07149  -6.204032      22.07149  23.20192 15.87618  23.20192 15.87618  0.000000       0.000000  
1 1 1 51 3  1  o 27.58773 8.477077  -14.32836      7.523938  13.93286       15.04788  -42.58959      15.04788  37.11592 14.30416  18.05954 9.101333  19.05638       16.95415  
1 1 1 51 3  2  o 81.21247 6.197275  70.96994       7.028378  83.06351       14.05676  58.87636       14.05676  88.65811 7.927506  73.76683 9.527829  14.89128       12.39455  
1 1 1 51 3  3  o 54.89298 9.808947  36.90971       7.705008  43.73319       15.41002  30.08623       15.41002  60.57505 13.09103  49.21090 14.61118  11.36415       19.61789  
1 1 1 51 3  4  o 55.13114 15.45735  39.33033       17.72581  39.33033       17.72581  ?              ?         55.13114 15.45735  ?        ?         ?              ?         
1 1 1 51 3  5  o 85.65520 7.959233  83.08259       9.630070  87.19001       19.26014  78.97514       19.26014  88.05286 10.93669  83.25755 11.56660  4.795311       15.91847  
1 1 1 51 4  0  o 48.82654 20.30343  37.92942       19.66993  37.92942       19.66993  37.92942       19.66993  48.82654 20.30343  48.82654 20.30343  0.000000       0.000000  
1 1 1 51 4  1  o 23.00743 7.825129  -17.67816      7.461993  -20.84212      14.92399  -14.51420      14.92399  22.13844 10.74042  23.87642 11.38305  -1.737970      15.65026  
1 1 1 51 4  2  o 58.69696 8.862131  40.83606       7.357163  26.28375       14.71433  55.38838       14.71433  46.35667 14.38356  71.03724 10.35677  -24.68056      17.72426  
1 1 1 51 4  3  o 46.70004 15.16550  27.33205       16.18195  27.33205       16.18195  ?              ?         46.70004 15.16550  ?        ?         ?              ?         
1 1 1 51 4  4  o 49.77747 16.26445  32.79274       18.61210  32.79274       18.61210  ?              ?         49.77747 16.26445  ?        ?         ?              ?         
1 1 1 51 4  5  o 64.20596 9.905079  50.88069       8.758074  45.93462       17.51615  55.82676       17.51615  60.40317 14.63279  68.00874 13.35380  -7.605576      19.81016  
1 1 1 51 5  0  o 33.77343 19.88894  19.14578       22.41457  19.14578       22.41457  19.14578       22.41457  33.77343 19.88894  33.77343 19.88894  0.000000       0.000000  
1 1 1 51 5  1  o 69.95666 8.545839  57.56598       7.928963  36.45226       15.85793  78.67971       15.85793  54.48072 14.35233  85.43259 9.280958  -30.95188      17.09168  
1 1 1 51 5  2  o 56.14278 9.636026  38.23914       7.624003  44.06674       15.24801  32.41154       15.24801  61.02149 12.89275  51.26406 14.32442  9.757427       19.27205  
1 1 1 51 5  3  o 41.37037 10.09780  20.50380       7.195153  21.63311       14.39031  19.37450       14.39031  42.25959 14.30135  40.48115 14.25950  1.778439       20.19560  
1 1 1 51 5  4  o 34.01367 15.05619  3.592812       20.28938  3.592812       20.28938  ?              ?         34.01367 15.05619  ?        ?         ?              ?         
1 1 1 51 5  5  o 48.53287 16.14742  30.95345       18.34526  30.95345       18.34526  ?              ?         48.53287 16.14742  ?        ?         ?              ?         
1 1 1 51 5  6  o 64.93159 9.714372  52.96776       8.853374  68.05376       17.70675  37.88176       17.70675  76.70987 11.54138  53.15333 15.62923  23.55654       19.42874  
1 1 1 51 6  0  o 18.29398 13.18594  -25.46417      21.26144  -25.46417      21.26144  -25.46417      21.26144  18.29398 13.18594  18.29398 13.18594  0.000000       0.000000  
1 1 1 51 6  1  o 103.7373 5.141064  112.9353       7.533468  106.9266       15.06694  118.9440       15.06694  100.8412 7.470628  106.6334 7.064833  -5.792191      10.28213  
1 1 1 51 6  2  o 38.32796 14.61702  15.79122       15.59109  15.79122       15.59109  ?              ?         38.32796 14.61702  ?        ?         ?              ?         
1 1 1 51 6  3  o 29.15641 8.963137  2.158546       6.909253  0.3049601      13.81851  4.012132       13.81851  28.22663 12.46882  30.08619 12.87943  -1.859558      17.92627  
1 1 1 51 6  4  o 77.10411 7.785616  67.18652       8.424523  75.69682       16.84905  58.67624       16.84905  82.62281 10.19637  71.58542 11.76849  11.03739       15.57123  
1 1 1 51 6  5  o 83.55338 8.922196  86.05117       9.301284  43.70460       18.60257  128.3978       18.60257  57.88042 15.68142  109.2263 8.515606  -51.34591      17.84439  
1 1 1 51 7  1  o 46.08738 15.45743  26.60777       16.81093  26.60777       16.81093  ?              ?         46.08738 15.45743  ?        ?         ?              ?         
1 1 1 51 7  2  o 31.90569 13.61877  5.270092       15.37190  5.270092       15.37190  ?              ?         31.90569 13.61877  ?        ?         ?              ?         
1 1 1 51 7  3  o 34.36035 13.62828  11.20728       13.92334  11.20728       13.92334  ?              ?         34.36035 13.62828  ?        ?         ?              ?         
1 1 1 51 7  4  o 33.24710 14.76900  2.363441       19.75570  2.363441       19.75570  ?              ?         33.24710 14.76900  ?        ?         ?              ?         
1 1 1 51 8  1  o 40.92613 14.74212  19.86053       15.45767  19.86053       15.45767  ?              ?         40.92613 14.74212  ?        ?         ?              ?         
1 1 1 51 8  2  o 33.06716 9.439216  8.567473       6.995024  2.563571       13.99005  14.57137       13.99005  29.43195 12.78508  36.70237 13.89017  -7.270422      18.87843  
1 1 1 51 8  3  o 43.64151 9.024714  22.09055       6.752007  7.118913       13.50401  37.06219       13.50401  31.57178 13.07990  55.71123 12.43776  -24.13945      18.04943  
1 1 1 51 8  4  o 43.10005 15.91438  22.93872       18.11654  22.93872       18.11654  ?              ?         43.10005 15.91438  ?        ?         ?              ?         
1 1 1 51 9  1  o 69.18462 8.984388  56.61299       8.567473  50.03252       17.13495  63.19345       17.13495  63.84608 13.80978  74.52316 11.49639  -10.67707      17.96878  
1 1 1 51 9  2  o 52.64594 14.99487  35.57550       16.55362  35.57550       16.55362  ?              ?         52.64594 14.99487  ?        ?         ?              ?         
1 1 1 51 9  3  o 77.80315 7.171219  67.32471       7.800308  56.73211       15.60062  77.91731       15.60062  70.99583 10.98699  84.61045 9.219084  -13.61462      14.34244  
1 1 1 51 9  4  o 37.54751 15.12065  14.18065       17.44944  14.18065       17.44944  ?              ?         37.54751 15.12065  ?        ?         ?              ?         
1 1 1 51 10 1  o 76.41142 8.557252  68.36348       8.815253  82.87290       17.63051  53.85405       17.63051  86.44906 10.19705  66.37378 13.74505  20.07528       17.11450  
1 1 1 51 10 2  o 43.28017 15.16139  23.31992       16.24866  23.31992       16.24866  ?              ?         43.28017 15.16139  ?        ?         ?              ?         
1 1 1 51 10 3  o 42.02165 14.90754  21.60452       15.75310  21.60452       15.75310  ?              ?         42.02165 14.90754  ?        ?         ?              ?         
1 1 1 51 11 1  o 27.81956 12.85380  -6.813953      16.82999  -6.813953      16.82999  ?              ?         27.81956 12.85380  ?        ?         ?              ?         
1 1 1 51 11 2  o 37.24459 14.93359  13.85663       16.91576  13.85663       16.91576  ?              ?         37.24459 14.93359  ?        ?         ?              ?         
1 1 1 51 11 3  o 69.77896 8.237884  57.34680       7.666887  74.36262       15.33377  40.33097       15.33377  82.44633 9.299247  57.11159 13.60055  25.33475       16.47577  
1 1 1 51 12 1  o 143.5254 4.738400  217.8178       9.453763  261.8940       18.90753  173.7415       18.90753  158.8802 5.950245  128.1705 7.375928  30.70975       9.476800  
1 1 1 51 12 2  o 31.00719 13.90185  0.1334201      17.87829  0.1334201      17.87829  ?              ?         31.00719 13.90185  ?        ?         ?              ?         
1 1 1 51 12 3  o 38.63839 15.17494  17.22072       17.10636  17.22072       17.10636  ?              ?         38.63839 15.17494  ?        ?         ?              ?         
1 1 1 51 12 4  o 40.36147 14.90998  21.91901       15.90558  21.91901       15.90558  ?              ?         40.36147 14.90998  ?        ?         ?              ?         
1 1 1 51 13 1  o 49.83768 15.30372  32.77368       16.71563  32.77368       16.71563  ?              ?         49.83768 15.30372  ?        ?         ?              ?         
1 1 1 51 13 2  o 107.1732 5.422303  123.0991       8.214863  126.9682       16.42973  119.2299       16.42973  108.9783 7.538069  105.3681 7.796346  3.610214       10.84461  
1 1 1 51 13 3  o 43.06023 15.28105  25.53088       16.55362  25.53088       16.55362  ?              ?         43.06023 15.28105  ?        ?         ?              ?         
1 1 1 51 13 4  o 60.84196 13.37888  50.25171       15.83887  50.25171       15.83887  ?              ?         60.84196 13.37888  ?        ?         ?              ?         
1 1 1 51 14 3  o 26.49379 12.37116  -3.897772      16.12477  -3.897772      16.12477  ?              ?         26.49379 12.37116  ?        ?         ?              ?         
1 1 1 52 0  0  o 27.74738 18.79682  -6.823483      29.76220  -6.823483      29.76220  -6.823483      29.76220  27.74738 18.79682  27.74738 18.79682  0.000000       0.000000  
1 1 1 52 1  1  o 27.55285 12.74973  -7.090323      16.63939  -7.090323      16.63939  ?              ?         27.55285 12.74973  ?        ?         ?              ?         
1 1 1 52 1  2  o 60.76852 9.282738  45.18651       8.029028  28.71390       16.05806  61.65912       16.05806  47.40366 15.07902  74.13338 10.83052  -26.72972      18.56548  
1 1 1 52 1  3  o 70.10474 8.527463  57.11808       8.291104  57.58028       16.58221  56.65587       16.58221  70.96643 11.68313  69.24304 12.42477  1.723389       17.05493  
1 1 1 52 2  1  o 64.17795 8.860112  49.26535       7.809838  35.40396       15.61968  63.12675       15.61968  53.01701 14.37173  75.33889 10.36628  -22.32188      17.72022  
1 1 1 52 2  2  o 50.20384 14.92246  32.19235       16.06759  32.19235       16.06759  ?              ?         50.20384 14.92246  ?        ?         ?              ?         
1 1 1 52 2  3  f 40.73645 15.77747  19.22202       18.35479  19.22202       18.35479  ?              ?         40.73645 15.77747  ?        ?         ?              ?         
1 1 1 52 3  1  o 73.18162 8.761955  62.68360       8.834312  68.33013       17.66863  57.03707       17.66863  77.59019 11.38586  68.77305 13.32102  8.817139       17.52391  
1 1 1 52 3  2  f 39.42318 14.40710  18.09748       14.80962  18.09748       14.80962  ?              ?         39.42318 14.40710  ?        ?         ?              ?         
1 1 1 52 3  3  o 119.0298 5.724408  151.6796       9.620539  142.3783       19.24108  160.9808       19.24108  115.1227 8.356769  122.9370 7.825587  -7.814255      11.44882  
1 1 1 52 4  1  o 38.47527 14.71223  16.42020       15.82934  16.42020       15.82934  ?              ?         38.47527 14.71223  ?        ?         ?              ?         
1 1 1 52 4  2  o 39.95398 14.84050  18.63116       15.80075  18.63116       15.80075  ?              ?         39.95398 14.84050  ?        ?         ?              ?         
1 1 1 52 4  3  o 29.82883 13.62787  -3.983541      18.30714  -3.983541      18.30714  ?              ?         29.82883 13.62787  ?        ?         ?              ?         
1 1 1 52 5  1  o 66.51308 9.041694  52.51508       8.305399  59.78172       16.61080  45.24846       16.61080  72.52927 11.45110  60.49689 13.99576  12.03238       18.08339  
1 1 1 52 5  2  o 32.85445 14.14758  5.651292       16.84905  5.651292       16.84905  ?              ?         32.85445 14.14758  ?        ?         ?              ?         
1 1 1 52 5  3  o 36.43498 15.12345  12.00780       18.10701  12.00780       18.10701  ?              ?         36.43498 15.12345  ?        ?         ?              ?         
1 1 1 52 6  1  o 32.32327 14.16091  3.602341       17.45897  3.602341       17.45897  ?              ?         32.32327 14.16091  ?        ?         ?              ?         
1 1 1 52 6  2  o 66.03826 9.931689  54.01607       8.991558  50.97599       17.98312  57.05613       17.98312  63.74424 14.43833  68.33229 13.64142  -4.588055      19.86338  
1 1 1 52 7  1  o 32.33954 14.21386  3.478451       17.70675  3.478451       17.70675  ?              ?         32.33954 14.21386  ?        ?         ?              ?         
1 1 1 52 7  2  o 57.80111 13.92077  41.87484       15.92464  41.87484       15.92464  ?              ?         57.80111 13.92077  ?        ?         ?              ?         
1 1 1 52 7  3  o 96.58064 6.144015  102.1045       8.386403  98.22575       16.77281  105.9832       16.77281  94.57262 8.867686  98.58865 8.506459  -4.016029      12.28803  
1 1 1 52 8  1  o 42.95857 15.80913  23.46287       17.85923  23.46287       17.85923  ?              ?         42.95857 15.80913  ?        ?         ?              ?         
1 1 1 52 8  2  o 37.88958 14.83724  16.35349       16.32490  16.35349       16.32490  ?              ?         37.88958 14.83724  ?        ?         ?              ?         
1 1 1 52 8  3  o 41.31209 14.72309  22.68141       15.38142  22.68141       15.38142  ?              ?         41.31209 14.72309  ?        ?         ?              ?         
1 1 1 52 9  1  o 38.27024 14.99452  17.03965       16.67751  17.03965       16.67751  ?              ?         38.27024 14.99452  ?        ?         ?              ?         
1 1 1 52 9  2  o 33.43579 14.20431  9.148804       16.58221  9.148804       16.58221  ?              ?         33.43579 14.20431  ?        ?         ?              ?         
1 1 1 52 9  3  o 27.03442 12.23962  -0.8577003E-01 14.19018  -0.8577003E-01 14.19018  ?              ?         27.03442 12.23962  ?        ?         ?              ?         
1 1 1 53 1  1  o 22.21629 10.83811  -20.26079      15.73404  -20.26079      15.73404  ?              ?         22.21629 10.83811  ?        ?         ?              ?         
1 1 1 53 1  2  o 36.02105 14.48029  16.36302       15.96276  16.36302       15.96276  ?              ?         36.02105 14.48029  ?        ?         ?              ?         
1 1 1 53 3  2  o 37.88432 14.69466  20.31797       15.93417  20.31797       15.93417  ?              ?         37.88432 14.69466  ?        ?         ?              ?         
1 1 1 53 4  2  o 40.79841 14.96890  25.57853       16.00088  25.57853       16.00088  ?              ?         40.79841 14.96890  ?        ?         ?              ?         
# 
#END OF REFLECTIONS
