data_r5ljjsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-10-12 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5ljj 
_cell.length_a      70.8520 
_cell.length_b      109.5700 
_cell.length_c      113.2090 
_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   0.9677 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.800 
_diffrn_reflns.pdbx_d_res_low    78.733 
_diffrn_reflns.limit_h_max       25 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       39 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       40 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            11200 
_diffrn_reflns.pdbx_number_obs   9005 
# 
_entry.id   5ljj 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5ljj 
_symmetry.space_group_name_H-M   "I 2 2 2" 
_symmetry.Int_Tables_number      23 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "X,  -Y,  -Z"             
3 "-X,  Y,  -Z"             
4 "-X,  -Y,  Z"             
5 "X+1/2,  Y+1/2,  Z+1/2"   
6 "X+1/2,  -Y+1/2,  -Z+1/2" 
7 "-X+1/2,  Y+1/2,  -Z+1/2" 
8 "-X+1/2,  -Y+1/2,  Z+1/2" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  22 o 558.5279 49.69009 22.67663       3.852835  22.67663       3.852835  22.67663       3.852835  558.5279 49.69009 558.5279 49.69009 0.000000       0.000000 
1 1 1 0  0  24 o 1173.710 43.44945 98.08900       7.194655  98.08900       7.194655  98.08900       7.194655  1173.710 43.44945 1173.710 43.44945 0.000000       0.000000 
1 1 1 0  0  26 o 630.4430 54.41224 28.86599       4.768082  28.86599       4.768082  28.86599       4.768082  630.4430 54.41224 630.4430 54.41224 0.000000       0.000000 
1 1 1 0  0  28 f 1891.006 51.01033 254.9167       13.62875  254.9167       13.62875  254.9167       13.62875  1891.006 51.01033 1891.006 51.01033 0.000000       0.000000 
1 1 1 0  0  30 f 1425.972 51.10078 145.4273       10.28228  145.4273       10.28228  145.4273       10.28228  1425.972 51.10078 1425.972 51.10078 -0.000000      0.000000 
1 1 1 0  0  32 o 1848.122 54.52686 245.3184       14.23325  245.3184       14.23325  245.3184       14.23325  1848.122 54.52686 1848.122 54.52686 -0.000000      0.000000 
1 1 1 0  0  34 o 303.2183 129.0410 9.928892       5.625989  9.928892       5.625989  9.928892       5.625989  303.2183 129.0410 303.2183 129.0410 0.000000       0.000000 
1 1 1 0  0  36 o 827.2073 61.84582 50.80946       7.144877  50.80946       7.144877  50.80946       7.144877  827.2073 61.84582 827.2073 61.84582 -0.000000      0.000000 
1 1 1 0  0  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  0  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  3  o 2053.499 25.39020 298.6998       7.376168  298.6998       7.376168  298.6998       7.376168  2053.499 25.39020 2053.499 25.39020 -0.000000      0.000000 
1 1 1 0  1  5  o 868.3986 22.09454 53.48884       2.711366  53.48884       2.711366  53.48884       2.711366  868.3986 22.09454 868.3986 22.09454 -0.000000      0.000000 
1 1 1 0  1  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  17 o 1406.505 37.58027 140.7720       7.468263  140.7720       7.468263  140.7720       7.468263  1406.505 37.58027 1406.505 37.58027 -0.000000      0.000000 
1 1 1 0  1  19 o 692.4695 40.05338 34.46985       3.894875  34.46985       3.894875  34.46985       3.894875  692.4695 40.05338 692.4695 40.05338 -0.000000      0.000000 
1 1 1 0  1  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  23 o 1877.959 46.48097 251.3802       12.33615  251.3802       12.33615  251.3802       12.33615  1877.959 46.48097 1877.959 46.48097 0.000000       0.000000 
1 1 1 0  1  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  1  27 o 85.29913 58.58463 -1.560883      2.293160  -1.560883      2.293160  -1.560883      2.293160  85.29913 58.58463 85.29913 58.58463 -0.000000      0.000000 
1 1 1 0  1  29 o 1384.411 34.66441 136.6191       6.781922  136.6191       6.781922  136.6191       6.781922  1384.411 34.66441 1384.411 34.66441 -0.000000      0.000000 
1 1 1 0  1  31 o 332.5105 90.13615 9.666513       3.665628  9.666513       3.665628  9.666513       3.665628  332.5105 90.13615 332.5105 90.13615 -0.000000      0.000000 
1 1 1 0  1  33 o 273.7213 99.92973 7.539201       3.566158  7.539201       3.566158  7.539201       3.566158  273.7213 99.92973 273.7213 99.92973 0.000000       0.000000 
1 1 1 0  1  35 o 162.8881 93.14498 2.978867       3.385824  2.978867       3.385824  2.978867       3.385824  162.8881 93.14498 162.8881 93.14498 -0.000000      0.000000 
1 1 1 0  1  37 o 134.0386 82.40701 1.699940       3.027653  1.699940       3.027653  1.699940       3.027653  134.0386 82.40701 134.0386 82.40701 -0.000000      0.000000 
1 1 1 0  1  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  2  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  2  2  o 883.2172 17.98575 55.28326       2.245997  55.28326       2.245997  55.28326       2.245997  883.2172 17.98575 883.2172 17.98575 -0.000000      0.000000 
1 1 1 0  2  4  f 229.5746 14.00315 3.771512       0.4510378 3.771512       0.4510378 3.771512       0.4510378 229.5746 14.00315 229.5746 14.00315 -0.000000      0.000000 
1 1 1 0  2  6  o 162.5111 26.80612 2.015684       0.5661427 2.015684       0.5661427 2.015684       0.5661427 162.5111 26.80612 162.5111 26.80612 0.000000       0.000000 
1 1 1 0  2  8  o 789.9276 24.03058 44.29904       2.680773  44.29904       2.680773  44.29904       2.680773  789.9276 24.03058 789.9276 24.03058 -0.000000      0.000000 
1 1 1 0  2  10 o 377.9108 31.30870 10.32106       1.647087  10.32106       1.647087  10.32106       1.647087  377.9108 31.30870 377.9108 31.30870 0.000000       0.000000 
1 1 1 0  2  12 o 751.8272 28.71387 40.20534       3.044995  40.20534       3.044995  40.20534       3.044995  751.8272 28.71387 751.8272 28.71387 0.000000       0.000000 
1 1 1 0  2  14 o 2327.136 45.26559 384.6799       14.89495  384.6799       14.89495  384.6799       14.89495  2327.136 45.26559 2327.136 45.26559 0.000000       0.000000 
1 1 1 0  2  16 o 884.0515 33.45419 55.66395       4.171877  55.66395       4.171877  55.66395       4.171877  884.0515 33.45419 884.0515 33.45419 0.000000       0.000000 
1 1 1 0  2  18 f 1600.325 39.29884 182.4543       8.888238  182.4543       8.888238  182.4543       8.888238  1600.325 39.29884 1600.325 39.29884 -0.000000      0.000000 
1 1 1 0  2  20 o 807.3934 40.60970 46.78196       4.613263  46.78196       4.613263  46.78196       4.613263  807.3934 40.60970 807.3934 40.60970 -0.000000      0.000000 
1 1 1 0  2  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  2  24 f 1513.255 43.47757 163.1369       9.293632  163.1369       9.293632  163.1369       9.293632  1513.255 43.47757 1513.255 43.47757 -0.000000      0.000000 
1 1 1 0  2  26 o 104.6652 70.80647 -1.450383      3.090632  -1.450383      3.090632  -1.450383      3.090632  104.6652 70.80647 104.6652 70.80647 -0.000000      0.000000 
1 1 1 0  2  28 o 2052.627 37.36489 300.1392       10.84598  300.1392       10.84598  300.1392       10.84598  2052.627 37.36489 2052.627 37.36489 0.000000       0.000000 
1 1 1 0  2  30 o 311.5733 85.63190 8.452471       3.264560  8.452471       3.264560  8.452471       3.264560  311.5733 85.63190 311.5733 85.63190 0.000000       0.000000 
1 1 1 0  2  32 o 991.5213 38.92260 70.78351       5.442496  70.78351       5.442496  70.78351       5.442496  991.5213 38.92260 991.5213 38.92260 0.000000       0.000000 
1 1 1 0  2  34 o 151.3657 88.52669 2.342624       3.166410  2.342624       3.166410  2.342624       3.166410  151.3657 88.52669 151.3657 88.52669 0.000000       0.000000 
1 1 1 0  2  36 o 536.7698 53.55234 21.98150       3.968165  21.98150       3.968165  21.98150       3.968165  536.7698 53.55234 536.7698 53.55234 0.000000       0.000000 
1 1 1 0  2  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  2  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  3  1  o 1586.376 27.57582 178.3610       6.186689  178.3610       6.186689  178.3610       6.186689  1586.376 27.57582 1586.376 27.57582 0.000000       0.000000 
1 1 1 0  3  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  3  5  o 3087.675 36.46002 675.7164       15.92692  675.7164       15.92692  675.7164       15.92692  3087.675 36.46002 3087.675 36.46002 -0.000000      0.000000 
1 1 1 0  3  7  o 2594.796 31.96180 477.0890       11.73291  477.0890       11.73291  477.0890       11.73291  2594.796 31.96180 2594.796 31.96180 0.000000       0.000000 
1 1 1 0  3  9  o 1819.857 35.05365 234.8737       9.020421  234.8737       9.020421  234.8737       9.020421  1819.857 35.05365 1819.857 35.05365 -0.000000      0.000000 
1 1 1 0  3  11 o 1433.885 31.91142 145.8444       6.468366  145.8444       6.468366  145.8444       6.468366  1433.885 31.91142 1433.885 31.91142 -0.000000      0.000000 
1 1 1 0  3  13 o 653.8371 29.56071 30.46624       2.722527  30.46624       2.722527  30.46624       2.722527  653.8371 29.56071 653.8371 29.56071 -0.000000      0.000000 
1 1 1 0  3  15 o 437.3130 37.79350 13.86409       2.297145  13.86409       2.297145  13.86409       2.297145  437.3130 37.79350 437.3130 37.79350 -0.000000      0.000000 
1 1 1 0  3  17 o 132.7324 73.35943 1.749034       2.011016  1.749034       2.011016  1.749034       2.011016  132.7324 73.35943 132.7324 73.35943 0.000000       0.000000 
1 1 1 0  3  19 f 829.0989 36.59367 49.17430       4.274617  49.17430       4.274617  49.17430       4.274617  829.0989 36.59367 829.0989 36.59367 -0.000000      0.000000 
1 1 1 0  3  21 o 114.2871 70.31326 0.7711524      2.207819  0.7711524      2.207819  0.7711524      2.207819  114.2871 70.31326 114.2871 70.31326 -0.000000      0.000000 
1 1 1 0  3  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  3  25 f 634.8655 48.36383 29.17721       4.285877  29.17721       4.285877  29.17721       4.285877  634.8655 48.36383 634.8655 48.36383 0.000000       0.000000 
1 1 1 0  3  27 o 489.7030 62.01643 17.99085       4.110484  17.99085       4.110484  17.99085       4.110484  489.7030 62.01643 489.7030 62.01643 -0.000000      0.000000 
1 1 1 0  3  29 o 1558.314 48.98659 174.2756       10.77900  174.2756       10.77900  174.2756       10.77900  1558.314 48.98659 1558.314 48.98659 0.000000       0.000000 
1 1 1 0  3  31 o 190.9270 96.30749 4.036283       3.218507  4.036283       3.218507  4.036283       3.218507  190.9270 96.30749 190.9270 96.30749 -0.000000      0.000000 
1 1 1 0  3  33 o 730.2733 43.85748 38.92491       4.494809  38.92491       4.494809  38.92491       4.494809  730.2733 43.85748 730.2733 43.85748 -0.000000      0.000000 
1 1 1 0  3  35 o 98.63860 68.07480 -1.965066      3.186102  -1.965066      3.186102  -1.965066      3.186102  98.63860 68.07480 98.63860 68.07480 -0.000000      0.000000 
1 1 1 0  3  37 o 193.1445 95.92154 4.689618       3.168426  4.689618       3.168426  4.689618       3.168426  193.1445 95.92154 193.1445 95.92154 -0.000000      0.000000 
1 1 1 0  3  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  4  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  4  2  f 274.0269 13.63806 5.353733       0.5258875 5.353733       0.5258875 5.353733       0.5258875 274.0269 13.63806 274.0269 13.63806 -0.000000      0.000000 
1 1 1 0  4  4  o 746.4860 12.59926 39.47004       1.330171  39.47004       1.330171  39.47004       1.330171  746.4860 12.59926 746.4860 12.59926 0.000000       0.000000 
1 1 1 0  4  6  o 1289.423 18.23990 117.7535       3.326914  117.7535       3.326914  117.7535       3.326914  1289.423 18.23990 1289.423 18.23990 0.000000       0.000000 
1 1 1 0  4  8  o 394.2963 16.80167 11.06372       0.9336688 11.06372       0.9336688 11.06372       0.9336688 394.2963 16.80167 394.2963 16.80167 -0.000000      0.000000 
1 1 1 0  4  10 o 206.1017 33.21584 3.232959       0.8934145 3.232959       0.8934145 3.232959       0.8934145 206.1017 33.21584 206.1017 33.21584 -0.000000      0.000000 
1 1 1 0  4  12 o 882.1105 27.21254 55.26133       3.389803  55.26133       3.389803  55.26133       3.389803  882.1105 27.21254 882.1105 27.21254 -0.000000      0.000000 
1 1 1 0  4  14 o 1719.225 36.63694 209.8377       8.904844  209.8377       8.904844  209.8377       8.904844  1719.225 36.63694 1719.225 36.63694 0.000000       0.000000 
1 1 1 0  4  16 o 1142.663 32.89194 92.84739       5.308994  92.84739       5.308994  92.84739       5.308994  1142.663 32.89194 1142.663 32.89194 -0.000000      0.000000 
1 1 1 0  4  18 o 157.3543 74.43686 2.611078       1.877110  2.611078       1.877110  2.611078       1.877110  157.3543 74.43686 157.3543 74.43686 0.000000       0.000000 
1 1 1 0  4  20 o 123.1329 74.03735 1.136870       2.329503  1.136870       2.329503  1.136870       2.329503  123.1329 74.03735 123.1329 74.03735 -0.000000      0.000000 
1 1 1 0  4  22 o 1222.018 38.68287 106.4460       6.674651  106.4460       6.674651  106.4460       6.674651  1222.018 38.68287 1222.018 38.68287 0.000000       0.000000 
1 1 1 0  4  24 o 300.9106 82.08776 7.751895       3.021584  7.751895       3.021584  7.751895       3.021584  300.9106 82.08776 300.9106 82.08776 0.000000       0.000000 
1 1 1 0  4  26 o 1189.298 43.36210 101.0808       7.276240  101.0808       7.276240  101.0808       7.276240  1189.298 43.36210 1189.298 43.36210 -0.000000      0.000000 
1 1 1 0  4  28 o 1009.123 44.88152 73.09591       6.380669  73.09591       6.380669  73.09591       6.380669  1009.123 44.88152 1009.123 44.88152 -0.000000      0.000000 
1 1 1 0  4  30 o 2043.402 51.72650 300.4895       14.93680  300.4895       14.93680  300.4895       14.93680  2043.402 51.72650 2043.402 51.72650 -0.000000      0.000000 
1 1 1 0  4  32 o 222.5244 98.60472 5.391294       3.273006  5.391294       3.273006  5.391294       3.273006  222.5244 98.60472 222.5244 98.60472 0.000000       0.000000 
1 1 1 0  4  34 f 183.4113 96.95545 3.952557       3.365364  3.952557       3.365364  3.952557       3.365364  183.4113 96.95545 183.4113 96.95545 -0.000000      0.000000 
1 1 1 0  4  36 o 588.9991 51.73812 26.30287       4.232739  26.30287       4.232739  26.30287       4.232739  588.9991 51.73812 588.9991 51.73812 0.000000       0.000000 
1 1 1 0  4  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  4  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  5  1  o 590.9984 16.26678 24.77730       1.358198  24.77730       1.358198  24.77730       1.358198  590.9984 16.26678 590.9984 16.26678 0.000000       0.000000 
1 1 1 0  5  3  o 163.7667 18.68933 1.971326       0.4185755 1.971326       0.4185755 1.971326       0.4185755 163.7667 18.68933 163.7667 18.68933 0.000000       0.000000 
1 1 1 0  5  5  o 1420.939 18.71450 142.9906       3.761870  142.9906       3.761870  142.9906       3.761870  1420.939 18.71450 1420.939 18.71450 -0.000000      0.000000 
1 1 1 0  5  7  o 780.7830 14.99502 43.19373       1.655525  43.19373       1.655525  43.19373       1.655525  780.7830 14.99502 780.7830 14.99502 -0.000000      0.000000 
1 1 1 0  5  9  o 401.4898 17.72892 11.47604       1.002859  11.47604       1.002859  11.47604       1.002859  401.4898 17.72892 401.4898 17.72892 0.000000       0.000000 
1 1 1 0  5  11 o 1668.944 24.00317 197.3345       5.666667  197.3345       5.666667  197.3345       5.666667  1668.944 24.00317 1668.944 24.00317 -0.000000      0.000000 
1 1 1 0  5  13 o 2718.440 48.79386 525.0452       18.75812  525.0452       18.75812  525.0452       18.75812  2718.440 48.79386 2718.440 48.79386 -0.000000      0.000000 
1 1 1 0  5  15 o 1676.519 36.58943 199.6779       8.671951  199.6779       8.671951  199.6779       8.671951  1676.519 36.58943 1676.519 36.58943 -0.000000      0.000000 
1 1 1 0  5  17 o 569.0248 36.06499 23.27589       2.877192  23.27589       2.877192  23.27589       2.877192  569.0248 36.06499 569.0248 36.06499 -0.000000      0.000000 
1 1 1 0  5  19 f 508.4182 40.53839 18.75476       2.872864  18.75476       2.872864  18.75476       2.872864  508.4182 40.53839 508.4182 40.53839 -0.000000      0.000000 
1 1 1 0  5  21 o 146.5988 79.19352 2.216223       2.288539  2.216223       2.288539  2.216223       2.288539  146.5988 79.19352 146.5988 79.19352 0.000000       0.000000 
1 1 1 0  5  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  5  25 o 688.1542 45.62146 34.13372       4.397517  34.13372       4.397517  34.13372       4.397517  688.1542 45.62146 688.1542 45.62146 -0.000000      0.000000 
1 1 1 0  5  27 o 1818.106 46.81994 236.3731       12.02870  236.3731       12.02870  236.3731       12.02870  1818.106 46.81994 1818.106 46.81994 0.000000       0.000000 
1 1 1 0  5  29 o 82.79161 59.58241 -5.849767      3.435921  -5.849767      3.435921  -5.849767      3.435921  82.79161 59.58241 82.79161 59.58241 0.000000       0.000000 
1 1 1 0  5  31 o 211.0314 104.9396 5.007415       3.794410  5.007415       3.794410  5.007415       3.794410  211.0314 104.9396 211.0314 104.9396 -0.000000      0.000000 
1 1 1 0  5  33 o 908.6875 53.61866 60.94262       6.839790  60.94262       6.839790  60.94262       6.839790  908.6875 53.61866 908.6875 53.61866 0.000000       0.000000 
1 1 1 0  5  35 o 537.5590 56.87830 22.11148       4.205462  22.11148       4.205462  22.11148       4.205462  537.5590 56.87830 537.5590 56.87830 0.000000       0.000000 
1 1 1 0  5  37 o 109.0186 72.52201 -0.1668697     3.003014  -0.1668697     3.003014  -0.1668697     3.003014  109.0186 72.52201 109.0186 72.52201 -0.000000      0.000000 
1 1 1 0  5  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  6  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  6  2  o 616.2789 11.56402 26.90648       1.007769  26.90648       1.007769  26.90648       1.007769  616.2789 11.56402 616.2789 11.56402 -0.000000      0.000000 
1 1 1 0  6  4  o 947.3029 13.99619 63.55228       1.875447  63.55228       1.875447  63.55228       1.875447  947.3029 13.99619 947.3029 13.99619 0.000000       0.000000 
1 1 1 0  6  6  o 1472.218 19.49974 153.5029       4.061151  153.5029       4.061151  153.5029       4.061151  1472.218 19.49974 1472.218 19.49974 0.000000       0.000000 
1 1 1 0  6  8  o 1260.250 18.66909 112.4942       3.328012  112.4942       3.328012  112.4942       3.328012  1260.250 18.66909 1260.250 18.66909 -0.000000      0.000000 
1 1 1 0  6  10 o 1473.852 21.54091 153.8791       4.490851  153.8791       4.490851  153.8791       4.490851  1473.852 21.54091 1473.852 21.54091 -0.000000      0.000000 
1 1 1 0  6  12 o 1710.167 24.61258 207.2329       5.954050  207.2329       5.954050  207.2329       5.954050  1710.167 24.61258 1710.167 24.61258 0.000000       0.000000 
1 1 1 0  6  14 o 675.5652 29.10652 32.51954       2.770987  32.51954       2.770987  32.51954       2.770987  675.5652 29.10652 675.5652 29.10652 -0.000000      0.000000 
1 1 1 0  6  16 o 1527.871 35.73226 166.0061       7.716673  166.0061       7.716673  166.0061       7.716673  1527.871 35.73226 1527.871 35.73226 -0.000000      0.000000 
1 1 1 0  6  18 o 121.3125 67.14304 1.464363       1.687349  1.464363       1.687349  1.464363       1.687349  121.3125 67.14304 121.3125 67.14304 -0.000000      0.000000 
1 1 1 0  6  20 o 160.2541 79.76486 2.740525       2.193196  2.740525       2.193196  2.740525       2.193196  160.2541 79.76486 160.2541 79.76486 0.000000       0.000000 
1 1 1 0  6  22 o 564.3896 43.47952 23.04987       3.424184  23.04987       3.424184  23.04987       3.424184  564.3896 43.47952 564.3896 43.47952 0.000000       0.000000 
1 1 1 0  6  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  6  26 o 2312.173 50.72529 382.2575       16.58031  382.2575       16.58031  382.2575       16.58031  2312.173 50.72529 2312.173 50.72529 0.000000       0.000000 
1 1 1 0  6  28 o 1348.617 44.12431 130.2301       8.400998  130.2301       8.400998  130.2301       8.400998  1348.617 44.12431 1348.617 44.12431 0.000000       0.000000 
1 1 1 0  6  30 o 227.2477 108.3496 5.709960       3.984747  5.709960       3.984747  5.709960       3.984747  227.2477 108.3496 227.2477 108.3496 -0.000000      0.000000 
1 1 1 0  6  32 f 765.0339 57.38339 43.43128       6.130520  43.43128       6.130520  43.43128       6.130520  765.0339 57.38339 765.0339 57.38339 -0.000000      0.000000 
1 1 1 0  6  34 o 622.9719 63.57954 29.77929       5.460464  29.77929       5.460464  29.77929       5.460464  622.9719 63.57954 622.9719 63.57954 0.000000       0.000000 
1 1 1 0  6  36 o 289.1836 93.12086 8.317889       3.363646  8.317889       3.363646  8.317889       3.363646  289.1836 93.12086 289.1836 93.12086 -0.000000      0.000000 
1 1 1 0  6  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  7  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  7  3  o 192.5479 14.14847 2.666152       0.3806492 2.666152       0.3806492 2.666152       0.3806492 192.5479 14.14847 192.5479 14.14847 0.000000       0.000000 
1 1 1 0  7  5  o 1169.522 16.22070 96.86446       2.683549  96.86446       2.683549  96.86446       2.683549  1169.522 16.22070 1169.522 16.22070 0.000000       0.000000 
1 1 1 0  7  7  o 412.9001 14.11944 12.10821       0.8228645 12.10821       0.8228645 12.10821       0.8228645 412.9001 14.11944 412.9001 14.11944 -0.000000      0.000000 
1 1 1 0  7  9  o 286.7035 20.12251 5.904246       0.8070540 5.904246       0.8070540 5.904246       0.8070540 286.7035 20.12251 286.7035 20.12251 -0.000000      0.000000 
1 1 1 0  7  11 o 593.2584 17.87270 24.98160       1.497477  24.98160       1.497477  24.98160       1.497477  593.2584 17.87270 593.2584 17.87270 -0.000000      0.000000 
1 1 1 0  7  13 o 235.9184 31.61874 4.150945       1.002521  4.150945       1.002521  4.150945       1.002521  235.9184 31.61874 235.9184 31.61874 -0.000000      0.000000 
1 1 1 0  7  15 o 898.1078 21.40467 57.23502       2.717060  57.23502       2.717060  57.23502       2.717060  898.1078 21.40467 898.1078 21.40467 0.000000       0.000000 
1 1 1 0  7  17 o 240.9771 65.33147 4.960772       1.925500  4.960772       1.925500  4.960772       1.925500  240.9771 65.33147 240.9771 65.33147 0.000000       0.000000 
1 1 1 0  7  19 f 247.0895 73.82298 5.404977       2.247488  5.404977       2.247488  5.404977       2.247488  247.0895 73.82298 247.0895 73.82298 0.000000       0.000000 
1 1 1 0  7  21 o 418.1039 51.39910 13.01366       2.918246  13.01366       2.918246  13.01366       2.918246  418.1039 51.39910 418.1039 51.39910 -0.000000      0.000000 
1 1 1 0  7  23 o 2013.378 46.62021 288.7730       13.26763  288.7730       13.26763  288.7730       13.26763  2013.378 46.62021 2013.378 46.62021 0.000000       0.000000 
1 1 1 0  7  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  7  27 o 1264.738 42.46191 114.4189       7.580676  114.4189       7.580676  114.4189       7.580676  1264.738 42.46191 1264.738 42.46191 -0.000000      0.000000 
1 1 1 0  7  29 o 754.2391 49.95689 41.31269       5.277954  41.31269       5.277954  41.31269       5.277954  754.2391 49.95689 754.2391 49.95689 0.000000       0.000000 
1 1 1 0  7  31 o 271.1787 108.5882 7.687512       4.043495  7.687512       4.043495  7.687512       4.043495  271.1787 108.5882 271.1787 108.5882 0.000000       0.000000 
1 1 1 0  7  33 o 914.8380 59.05577 62.47738       7.571818  62.47738       7.571818  62.47738       7.571818  914.8380 59.05577 914.8380 59.05577 0.000000       0.000000 
1 1 1 0  7  35 o 556.1748 70.41971 24.63058       5.301141  24.63058       5.301141  24.63058       5.301141  556.1748 70.41971 556.1748 70.41971 0.000000       0.000000 
1 1 1 0  7  37 o 186.0176 105.3791 4.808832       4.277830  4.808832       4.277830  4.808832       4.277830  186.0176 105.3791 186.0176 105.3791 0.000000       0.000000 
1 1 1 0  7  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  8  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  8  2  o 1926.751 33.72491 263.2139       9.189589  263.2139       9.189589  263.2139       9.189589  1926.751 33.72491 1926.751 33.72491 0.000000       0.000000 
1 1 1 0  8  4  o 516.4432 11.72818 18.90439       0.8561841 18.90439       0.8561841 18.90439       0.8561841 516.4432 11.72818 516.4432 11.72818 -0.000000      0.000000 
1 1 1 0  8  6  o 658.6904 13.05099 30.74212       1.215513  30.74212       1.215513  30.74212       1.215513  658.6904 13.05099 658.6904 13.05099 0.000000       0.000000 
1 1 1 0  8  8  f 1645.715 21.72108 191.8373       5.056911  191.8373       5.056911  191.8373       5.056911  1645.715 21.72108 1645.715 21.72108 0.000000       0.000000 
1 1 1 0  8  10 o 808.8494 16.78148 46.36897       1.919091  46.36897       1.919091  46.36897       1.919091  808.8494 16.78148 808.8494 16.78148 -0.000000      0.000000 
1 1 1 0  8  12 o 941.8149 18.80802 62.87347       2.504594  62.87347       2.504594  62.87347       2.504594  941.8149 18.80802 941.8149 18.80802 -0.000000      0.000000 
1 1 1 0  8  14 o 97.06021 51.65155 0.9629891      0.9604130 0.9629891      0.9604130 0.9629891      0.9604130 97.06021 51.65155 97.06021 51.65155 -0.000000      0.000000 
1 1 1 0  8  16 o 211.0953 47.41139 3.608399       1.236306  3.608399       1.236306  3.608399       1.236306  211.0953 47.41139 211.0953 47.41139 0.000000       0.000000 
1 1 1 0  8  18 o 838.8140 32.67364 50.23373       3.865281  50.23373       3.865281  50.23373       3.865281  838.8140 32.67364 838.8140 32.67364 0.000000       0.000000 
1 1 1 0  8  20 o 130.1384 73.93492 1.609790       2.113958  1.609790       2.113958  1.609790       2.113958  130.1384 73.93492 130.1384 73.93492 0.000000       0.000000 
1 1 1 0  8  22 o 299.0508 68.93811 7.305878       2.539446  7.305878       2.539446  7.305878       2.539446  299.0508 68.93811 299.0508 68.93811 -0.000000      0.000000 
1 1 1 0  8  24 f 127.2700 77.27459 1.097758       2.589268  1.097758       2.589268  1.097758       2.589268  127.2700 77.27459 127.2700 77.27459 -0.000000      0.000000 
1 1 1 0  8  26 o 519.9476 50.98419 19.86168       3.662993  19.86168       3.662993  19.86168       3.662993  519.9476 50.98419 519.9476 50.98419 -0.000000      0.000000 
1 1 1 0  8  28 o 971.2551 44.57747 67.81892       6.097803  67.81892       6.097803  67.81892       6.097803  971.2551 44.57747 971.2551 44.57747 0.000000       0.000000 
1 1 1 0  8  30 o 829.2166 52.41337 50.15576       6.093750  50.15576       6.093750  50.15576       6.093750  829.2166 52.41337 829.2166 52.41337 0.000000       0.000000 
1 1 1 0  8  32 o 1039.616 49.46949 79.06597       7.240592  79.06597       7.240592  79.06597       7.240592  1039.616 49.46949 1039.616 49.46949 -0.000000      0.000000 
1 1 1 0  8  34 o 825.7382 58.67307 51.44021       6.775431  51.44021       6.775431  51.44021       6.775431  825.7382 58.67307 825.7382 58.67307 0.000000       0.000000 
1 1 1 0  8  36 o 186.0421 106.8251 4.694452       4.480098  4.694452       4.480098  4.694452       4.480098  186.0421 106.8251 186.0421 106.8251 0.000000       0.000000 
1 1 1 0  8  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  9  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  9  3  o 236.1522 15.35138 3.996840       0.5080086 3.996840       0.5080086 3.996840       0.5080086 236.1522 15.35138 236.1522 15.35138 0.000000       0.000000 
1 1 1 0  9  5  o 1239.740 16.97976 108.8470       2.977818  108.8470       2.977818  108.8470       2.977818  1239.740 16.97976 1239.740 16.97976 0.000000       0.000000 
1 1 1 0  9  7  o 141.6418 28.89347 1.585326       0.5123001 1.585326       0.5123001 1.585326       0.5123001 141.6418 28.89347 141.6418 28.89347 0.000000       0.000000 
1 1 1 0  9  9  o 773.9996 15.62203 42.45467       1.709617  42.45467       1.709617  42.45467       1.709617  773.9996 15.62203 773.9996 15.62203 -0.000000      0.000000 
1 1 1 0  9  11 o 145.4710 42.28943 1.833595       0.7555918 1.833595       0.7555918 1.833595       0.7555918 145.4710 42.28943 145.4710 42.28943 -0.000000      0.000000 
1 1 1 0  9  13 o 344.5759 23.99829 8.532866       1.157000  8.532866       1.157000  8.532866       1.157000  344.5759 23.99829 344.5759 23.99829 0.000000       0.000000 
1 1 1 0  9  15 o 1255.667 22.01928 111.8379       3.910177  111.8379       3.910177  111.8379       3.910177  1255.667 22.01928 1255.667 22.01928 -0.000000      0.000000 
1 1 1 0  9  17 o 465.6815 26.00999 15.53066       1.701832  15.53066       1.701832  15.53066       1.701832  465.6815 26.00999 465.6815 26.00999 -0.000000      0.000000 
1 1 1 0  9  19 o 141.0308 74.22134 2.088695       1.965223  2.088695       1.965223  2.088695       1.965223  141.0308 74.22134 141.0308 74.22134 -0.000000      0.000000 
1 1 1 0  9  21 o 747.4902 35.57769 39.93974       3.744087  39.93974       3.744087  39.93974       3.744087  747.4902 35.57769 747.4902 35.57769 -0.000000      0.000000 
1 1 1 0  9  23 o 1488.617 39.24799 157.7307       8.255386  157.7307       8.255386  157.7307       8.255386  1488.617 39.24799 1488.617 39.24799 0.000000       0.000000 
1 1 1 0  9  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  9  27 o 607.8478 47.80928 26.89259       4.052507  26.89259       4.052507  26.89259       4.052507  607.8478 47.80928 607.8478 47.80928 0.000000       0.000000 
1 1 1 0  9  29 o 1288.288 45.18996 119.3371       8.215991  119.3371       8.215991  119.3371       8.215991  1288.288 45.18996 1288.288 45.18996 0.000000       0.000000 
1 1 1 0  9  31 f 225.4772 109.2790 5.862345       4.073149  5.862345       4.073149  5.862345       4.073149  225.4772 109.2790 225.4772 109.2790 -0.000000      0.000000 
1 1 1 0  9  33 o 501.6201 69.89610 19.88194       4.686531  19.88194       4.686531  19.88194       4.686531  501.6201 69.89610 501.6201 69.89610 0.000000       0.000000 
1 1 1 0  9  35 o 235.5498 112.1657 7.024184       4.268981  7.024184       4.268981  7.024184       4.268981  235.5498 112.1657 235.5498 112.1657 0.000000       0.000000 
1 1 1 0  9  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  9  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  10 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  10 2  o 1000.055 22.30994 70.90825       3.153944  70.90825       3.153944  70.90825       3.153944  1000.055 22.30994 1000.055 22.30994 -0.000000      0.000000 
1 1 1 0  10 4  o 1185.152 16.80993 99.47715       2.818141  99.47715       2.818141  99.47715       2.818141  1185.152 16.80993 1185.152 16.80993 0.000000       0.000000 
1 1 1 0  10 6  o 663.0931 13.25039 31.15592       1.242314  31.15592       1.242314  31.15592       1.242314  663.0931 13.25039 663.0931 13.25039 0.000000       0.000000 
1 1 1 0  10 8  o 1233.634 17.85808 107.7960       3.116275  107.7960       3.116275  107.7960       3.116275  1233.634 17.85808 1233.634 17.85808 -0.000000      0.000000 
1 1 1 0  10 10 f 1543.291 21.40689 168.7439       4.673400  168.7439       4.673400  168.7439       4.673400  1543.291 21.40689 1543.291 21.40689 -0.000000      0.000000 
1 1 1 0  10 12 o 930.8734 18.73846 61.43298       2.466306  61.43298       2.466306  61.43298       2.466306  930.8734 18.73846 930.8734 18.73846 -0.000000      0.000000 
1 1 1 0  10 14 f 679.2764 19.57146 32.76784       1.877901  32.76784       1.877901  32.76784       1.877901  679.2764 19.57146 679.2764 19.57146 -0.000000      0.000000 
1 1 1 0  10 16 o 335.1843 29.50628 8.159903       1.373582  8.159903       1.373582  8.159903       1.373582  335.1843 29.50628 335.1843 29.50628 0.000000       0.000000 
1 1 1 0  10 18 o 777.2129 22.81307 42.94896       2.504353  42.94896       2.504353  42.94896       2.504353  777.2129 22.81307 777.2129 22.81307 -0.000000      0.000000 
1 1 1 0  10 20 o 569.2497 36.13631 23.29426       2.883931  23.29426       2.883931  23.29426       2.883931  569.2497 36.13631 569.2497 36.13631 -0.000000      0.000000 
1 1 1 0  10 22 o 396.2592 51.73146 11.73227       2.764386  11.73227       2.764386  11.73227       2.764386  396.2592 51.73146 396.2592 51.73146 -0.000000      0.000000 
1 1 1 0  10 24 o 1195.091 41.46236 101.9857       6.993369  101.9857       6.993369  101.9857       6.993369  1195.091 41.46236 1195.091 41.46236 0.000000       0.000000 
1 1 1 0  10 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  10 28 f 180.7240 97.17239 3.515454       3.430488  3.515454       3.430488  3.515454       3.430488  180.7240 97.17239 180.7240 97.17239 -0.000000      0.000000 
1 1 1 0  10 30 o 746.1008 55.30822 41.01866       5.764479  41.01866       5.764479  41.01866       5.764479  746.1008 55.30822 746.1008 55.30822 0.000000       0.000000 
1 1 1 0  10 32 o 280.9426 113.7945 8.643518       4.424647  8.643518       4.424647  8.643518       4.424647  280.9426 113.7945 280.9426 113.7945 0.000000       0.000000 
1 1 1 0  10 34 o 512.1210 71.15659 21.04270       4.872940  21.04270       4.872940  21.04270       4.872940  512.1210 71.15659 512.1210 71.15659 -0.000000      0.000000 
1 1 1 0  10 36 o 131.6735 86.29597 0.8024446      4.008092  0.8024446      4.008092  0.8024446      4.008092  131.6735 86.29597 131.6735 86.29597 -0.000000      0.000000 
1 1 1 0  10 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  11 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  11 3  o 712.2172 20.27870 35.99647       2.040212  35.99647       2.040212  35.99647       2.040212  712.2172 20.27870 712.2172 20.27870 -0.000000      0.000000 
1 1 1 0  11 5  o 78.04263 37.31408 0.6336668      0.4729500 0.6336668      0.4729500 0.6336668      0.4729500 78.04263 37.31408 78.04263 37.31408 -0.000000      0.000000 
1 1 1 0  11 7  o 1105.150 16.45600 86.51083       2.572458  86.51083       2.572458  86.51083       2.572458  1105.150 16.45600 1105.150 16.45600 0.000000       0.000000 
1 1 1 0  11 9  o 599.1280 15.02961 25.45637       1.272534  25.45637       1.272534  25.45637       1.272534  599.1280 15.02961 599.1280 15.02961 -0.000000      0.000000 
1 1 1 0  11 11 o 142.3769 45.20764 1.813077       0.8014307 1.813077       0.8014307 1.813077       0.8014307 142.3769 45.20764 142.3769 45.20764 0.000000       0.000000 
1 1 1 0  11 13 o 570.7647 18.99879 23.15219       1.530770  23.15219       1.530770  23.15219       1.530770  570.7647 18.99879 570.7647 18.99879 -0.000000      0.000000 
1 1 1 0  11 15 o 1195.014 21.26377 101.3254       3.593543  101.3254       3.593543  101.3254       3.593543  1195.014 21.26377 1195.014 21.26377 0.000000       0.000000 
1 1 1 0  11 17 o 346.6750 29.77463 8.722964       1.435003  8.722964       1.435003  8.722964       1.435003  346.6750 29.77463 346.6750 29.77463 0.000000       0.000000 
1 1 1 0  11 19 o 448.9823 28.73727 14.47738       1.808601  14.47738       1.808601  14.47738       1.808601  448.9823 28.73727 448.9823 28.73727 -0.000000      0.000000 
1 1 1 0  11 21 o 493.6681 41.98357 17.69005       2.882449  17.69005       2.882449  17.69005       2.882449  493.6681 41.98357 493.6681 41.98357 0.000000       0.000000 
1 1 1 0  11 23 o 449.9504 47.90784 14.89895       2.963651  14.89895       2.963651  14.89895       2.963651  449.9504 47.90784 449.9504 47.90784 0.000000       0.000000 
1 1 1 0  11 25 o 79.60467 56.56421 -3.644004      2.725396  -3.644004      2.725396  -3.644004      2.725396  79.60467 56.56421 79.60467 56.56421 -0.000000      0.000000 
1 1 1 0  11 27 o 633.7008 47.51586 29.21740       4.204918  29.21740       4.204918  29.21740       4.204918  633.7008 47.51586 633.7008 47.51586 0.000000       0.000000 
1 1 1 0  11 29 o 146.2136 88.43171 1.712045       3.363261  1.712045       3.363261  1.712045       3.363261  146.2136 88.43171 146.2136 88.43171 0.000000       0.000000 
1 1 1 0  11 31 o 1098.122 55.45460 88.97708       8.567625  88.97708       8.567625  88.97708       8.567625  1098.122 55.45460 1098.122 55.45460 -0.000000      0.000000 
1 1 1 0  11 33 o 104.7297 73.63857 -3.789534      4.233380  -3.789534      4.233380  -3.789534      4.233380  104.7297 73.63857 104.7297 73.63857 0.000000       0.000000 
1 1 1 0  11 35 f 153.3927 92.78256 2.677839       3.703080  2.677839       3.703080  2.677839       3.703080  153.3927 92.78256 153.3927 92.78256 0.000000       0.000000 
1 1 1 0  11 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  12 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  12 2  o 1612.181 30.91850 184.3254       7.048415  184.3254       7.048415  184.3254       7.048415  1612.181 30.91850 1612.181 30.91850 -0.000000      0.000000 
1 1 1 0  12 4  o 1941.129 24.43319 266.9478       6.709639  266.9478       6.709639  266.9478       6.709639  1941.129 24.43319 1941.129 24.43319 0.000000       0.000000 
1 1 1 0  12 6  o 1762.254 22.45794 220.0088       5.598857  220.0088       5.598857  220.0088       5.598857  1762.254 22.45794 1762.254 22.45794 -0.000000      0.000000 
1 1 1 0  12 8  o 764.0785 14.85498 41.37269       1.604942  41.37269       1.604942  41.37269       1.604942  764.0785 14.85498 764.0785 14.85498 0.000000       0.000000 
1 1 1 0  12 10 o 451.2882 16.77989 14.47933       1.068307  14.47933       1.068307  14.47933       1.068307  451.2882 16.77989 451.2882 16.77989 -0.000000      0.000000 
1 1 1 0  12 12 o 61.91779 39.95285 -0.1045940E-01 0.8135914 -0.1045940E-01 0.8135914 -0.1045940E-01 0.8135914 61.91779 39.95285 61.91779 39.95285 -0.000000      0.000000 
1 1 1 0  12 14 o 1121.266 19.99990 89.18666       3.171355  89.18666       3.171355  89.18666       3.171355  1121.266 19.99990 1121.266 19.99990 0.000000       0.000000 
1 1 1 0  12 16 f 985.3943 20.71625 68.93150       2.886075  68.93150       2.886075  68.93150       2.886075  985.3943 20.71625 985.3943 20.71625 0.000000       0.000000 
1 1 1 0  12 18 o 81.72696 50.86242 0.3106347      1.187971  0.3106347      1.187971  0.3106347      1.187971  81.72696 50.86242 81.72696 50.86242 0.000000       0.000000 
1 1 1 0  12 20 o 1121.985 24.61255 89.34745       3.903835  89.34745       3.903835  89.34745       3.903835  1121.985 24.61255 1121.985 24.61255 -0.000000      0.000000 
1 1 1 0  12 22 o 132.6945 74.01951 1.724627       2.069562  1.724627       2.069562  1.724627       2.069562  132.6945 74.01951 132.6945 74.01951 0.000000       0.000000 
1 1 1 0  12 24 o 1074.457 37.51337 82.44585       5.688415  82.44585       5.688415  82.44585       5.688415  1074.457 37.51337 1074.457 37.51337 -0.000000      0.000000 
1 1 1 0  12 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  12 28 o 680.2892 50.12321 33.81229       4.764062  33.81229       4.764062  33.81229       4.764062  680.2892 50.12321 680.2892 50.12321 0.000000       0.000000 
1 1 1 0  12 30 o 940.7174 47.62011 64.56566       6.302451  64.56566       6.302451  64.56566       6.302451  940.7174 47.62011 940.7174 47.62011 -0.000000      0.000000 
1 1 1 0  12 32 o 140.2932 89.50784 1.067065       3.940609  1.067065       3.940609  1.067065       3.940609  140.2932 89.50784 140.2932 89.50784 -0.000000      0.000000 
1 1 1 0  12 34 o 90.65786 64.64815 -4.448475      3.679227  -4.448475      3.679227  -4.448475      3.679227  90.65786 64.64815 90.65786 64.64815 0.000000       0.000000 
1 1 1 0  12 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  12 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  13 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  13 3  o 1117.090 24.69991 88.50581       3.900530  88.50581       3.900530  88.50581       3.900530  1117.090 24.69991 1117.090 24.69991 -0.000000      0.000000 
1 1 1 0  13 5  o 1779.437 22.86887 224.3455       5.756856  224.3455       5.756856  224.3455       5.756856  1779.437 22.86887 1779.437 22.86887 -0.000000      0.000000 
1 1 1 0  13 7  o 67.44370 38.37189 0.4174381      0.5705391 0.4174381      0.5705391 0.4174381      0.5705391 67.44370 38.37189 67.44370 38.37189 0.000000       0.000000 
1 1 1 0  13 9  o 413.3128 16.60603 12.15386       0.9677548 12.15386       0.9677548 12.15386       0.9677548 413.3128 16.60603 413.3128 16.60603 -0.000000      0.000000 
1 1 1 0  13 11 o 529.8427 16.92765 19.94289       1.266361  19.94289       1.266361  19.94289       1.266361  529.8427 16.92765 529.8427 16.92765 0.000000       0.000000 
1 1 1 0  13 13 o 964.9675 18.62343 66.05382       2.541131  66.05382       2.541131  66.05382       2.541131  964.9675 18.62343 964.9675 18.62343 0.000000       0.000000 
1 1 1 0  13 15 o 91.63305 50.50278 0.8335547      0.9501124 0.8335547      0.9501124 0.8335547      0.9501124 91.63305 50.50278 91.63305 50.50278 0.000000       0.000000 
1 1 1 0  13 17 o 47.28417 33.98675 -1.879824      1.102668  -1.879824      1.102668  -1.879824      1.102668  47.28417 33.98675 47.28417 33.98675 0.000000       0.000000 
1 1 1 0  13 19 o 366.7575 31.53942 9.752865       1.608034  9.752865       1.608034  9.752865       1.608034  366.7575 31.53942 366.7575 31.53942 -0.000000      0.000000 
1 1 1 0  13 21 o 172.8289 65.76294 2.886936       1.512951  2.886936       1.512951  2.886936       1.512951  172.8289 65.76294 172.8289 65.76294 -0.000000      0.000000 
1 1 1 0  13 23 o 140.1219 79.51341 1.885552       2.441093  1.885552       2.441093  1.885552       2.441093  140.1219 79.51341 140.1219 79.51341 0.000000       0.000000 
1 1 1 0  13 25 o 794.1289 41.17823 45.34125       4.599275  45.34125       4.599275  45.34125       4.599275  794.1289 41.17823 794.1289 41.17823 0.000000       0.000000 
1 1 1 0  13 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  13 29 o 458.0881 74.44511 16.63008       4.443871  16.63008       4.443871  16.63008       4.443871  458.0881 74.44511 458.0881 74.44511 -0.000000      0.000000 
1 1 1 0  13 31 o 195.8647 102.7661 4.606797       3.758694  4.606797       3.758694  4.606797       3.758694  195.8647 102.7661 195.8647 102.7661 0.000000       0.000000 
1 1 1 0  13 33 o 276.9357 105.9212 8.368949       3.915876  8.368949       3.915876  8.368949       3.915876  276.9357 105.9212 276.9357 105.9212 -0.000000      0.000000 
1 1 1 0  13 35 o 224.7965 107.9430 6.735349       3.962640  6.735349       3.962640  6.735349       3.962640  224.7965 107.9430 224.7965 107.9430 0.000000       0.000000 
1 1 1 0  13 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  14 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  14 2  o 505.7990 24.19650 18.24403       1.722938  18.24403       1.722938  18.24403       1.722938  505.7990 24.19650 505.7990 24.19650 0.000000       0.000000 
1 1 1 0  14 4  o 364.0381 25.34999 9.523664       1.291203  9.523664       1.291203  9.523664       1.291203  364.0381 25.34999 364.0381 25.34999 -0.000000      0.000000 
1 1 1 0  14 6  o 78.15615 42.30729 0.6130547      0.6544396 0.6130547      0.6544396 0.6130547      0.6544396 78.15615 42.30729 78.15615 42.30729 -0.000000      0.000000 
1 1 1 0  14 8  o 424.8549 16.07749 12.83569       0.9635233 12.83569       0.9635233 12.83569       0.9635233 424.8549 16.07749 424.8549 16.07749 0.000000       0.000000 
1 1 1 0  14 10 f 676.9551 15.71325 32.50595       1.503547  32.50595       1.503547  32.50595       1.503547  676.9551 15.71325 676.9551 15.71325 -0.000000      0.000000 
1 1 1 0  14 12 o 401.3730 19.65343 11.49929       1.110234  11.49929       1.110234  11.49929       1.110234  401.3730 19.65343 401.3730 19.65343 -0.000000      0.000000 
1 1 1 0  14 14 o 815.4027 18.86709 47.20062       2.174561  47.20062       2.174561  47.20062       2.174561  815.4027 18.86709 815.4027 18.86709 -0.000000      0.000000 
1 1 1 0  14 16 f 686.5323 20.04357 33.49046       1.943645  33.49046       1.943645  33.49046       1.943645  686.5323 20.04357 686.5323 20.04357 -0.000000      0.000000 
1 1 1 0  14 18 o 640.1656 22.85322 29.15279       2.064432  29.15279       2.064432  29.15279       2.064432  640.1656 22.85322 640.1656 22.85322 0.000000       0.000000 
1 1 1 0  14 20 o 734.4619 24.41619 38.35775       2.531494  38.35775       2.531494  38.35775       2.531494  734.4619 24.41619 734.4619 24.41619 0.000000       0.000000 
1 1 1 0  14 22 o 405.4425 33.71450 11.91783       1.902615  11.91783       1.902615  11.91783       1.902615  405.4425 33.71450 405.4425 33.71450 -0.000000      0.000000 
1 1 1 0  14 24 f 371.1044 62.27861 10.67941       2.994199  10.67941       2.994199  10.67941       2.994199  371.1044 62.27861 371.1044 62.27861 -0.000000      0.000000 
1 1 1 0  14 26 o 116.0223 75.49837 -0.9389643E-01 2.989779  -0.9389643E-01 2.989779  -0.9389643E-01 2.989779  116.0223 75.49837 116.0223 75.49837 -0.000000      0.000000 
1 1 1 0  14 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  14 30 o 991.3408 49.19043 72.19221       6.862241  72.19221       6.862241  72.19221       6.862241  991.3408 49.19043 991.3408 49.19043 -0.000000      0.000000 
1 1 1 0  14 32 f 336.4385 106.7909 11.30253       4.473254  11.30253       4.473254  11.30253       4.473254  336.4385 106.7909 336.4385 106.7909 0.000000       0.000000 
1 1 1 0  14 34 o 114.0605 77.78918 -1.022401      3.888340  -1.022401      3.888340  -1.022401      3.888340  114.0605 77.78918 114.0605 77.78918 -0.000000      0.000000 
1 1 1 0  14 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  15 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  15 3  o 1016.691 24.98288 73.37260       3.589703  73.37260       3.589703  73.37260       3.589703  1016.691 24.98288 1016.691 24.98288 -0.000000      0.000000 
1 1 1 0  15 5  o 802.2969 15.87535 45.62886       1.800920  45.62886       1.800920  45.62886       1.800920  802.2969 15.87535 802.2969 15.87535 -0.000000      0.000000 
1 1 1 0  15 7  o 764.1815 15.38316 41.40077       1.662129  41.40077       1.662129  41.40077       1.662129  764.1815 15.38316 764.1815 15.38316 -0.000000      0.000000 
1 1 1 0  15 9  o 1057.366 17.03897 79.25723       2.548202  79.25723       2.548202  79.25723       2.548202  1057.366 17.03897 1057.366 17.03897 -0.000000      0.000000 
1 1 1 0  15 11 o 127.5690 48.99376 1.577878       0.8363050 1.577878       0.8363050 1.577878       0.8363050 127.5690 48.99376 127.5690 48.99376 0.000000       0.000000 
1 1 1 0  15 13 o 1081.660 18.94491 83.00605       2.898030  83.00605       2.898030  83.00605       2.898030  1081.660 18.94491 1081.660 18.94491 -0.000000      0.000000 
1 1 1 0  15 15 o 205.2087 42.51806 3.353030       1.089578  3.353030       1.089578  3.353030       1.089578  205.2087 42.51806 205.2087 42.51806 0.000000       0.000000 
1 1 1 0  15 17 o 405.7558 25.68952 11.81198       1.461441  11.81198       1.461441  11.81198       1.461441  405.7558 25.68952 405.7558 25.68952 0.000000       0.000000 
1 1 1 0  15 19 o 586.8823 23.91779 24.53080       1.979000  24.53080       1.979000  24.53080       1.979000  586.8823 23.91779 586.8823 23.91779 0.000000       0.000000 
1 1 1 0  15 21 o 535.4899 27.23599 20.49986       2.051774  20.49986       2.051774  20.49986       2.051774  535.4899 27.23599 535.4899 27.23599 0.000000       0.000000 
1 1 1 0  15 23 o 133.4766 70.21125 1.873193       1.757930  1.873193       1.757930  1.873193       1.757930  133.4766 70.21125 133.4766 70.21125 0.000000       0.000000 
1 1 1 0  15 25 o 662.0915 42.04869 31.70008       3.903059  31.70008       3.903059  31.70008       3.903059  662.0915 42.04869 662.0915 42.04869 0.000000       0.000000 
1 1 1 0  15 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  15 29 o 671.5443 53.12185 33.56591       4.973773  33.56591       4.973773  33.56591       4.973773  671.5443 53.12185 671.5443 53.12185 0.000000       0.000000 
1 1 1 0  15 31 o 287.8850 105.9941 8.755019       3.994064  8.755019       3.994064  8.755019       3.994064  287.8850 105.9941 287.8850 105.9941 0.000000       0.000000 
1 1 1 0  15 33 o 224.0462 110.9010 6.679040       4.229081  6.679040       4.229081  6.679040       4.229081  224.0462 110.9010 224.0462 110.9010 -0.000000      0.000000 
1 1 1 0  15 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  15 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  16 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  16 2  o 53.58438 38.08397 -1.697675      1.238045  -1.697675      1.238045  -1.697675      1.238045  53.58438 38.08397 53.58438 38.08397 0.000000       0.000000 
1 1 1 0  16 4  o 70.71117 46.14880 -0.1220039     1.128811  -0.1220039     1.128811  -0.1220039     1.128811  70.71117 46.14880 70.71117 46.14880 -0.000000      0.000000 
1 1 1 0  16 6  o 386.8715 17.83254 10.66952       0.9715970 10.66952       0.9715970 10.66952       0.9715970 386.8715 17.83254 386.8715 17.83254 0.000000       0.000000 
1 1 1 0  16 8  o 728.2333 15.48283 37.61309       1.594033  37.61309       1.594033  37.61309       1.594033  728.2333 15.48283 728.2333 15.48283 0.000000       0.000000 
1 1 1 0  16 10 o 248.6336 23.98338 4.506394       0.8246878 4.506394       0.8246878 4.506394       0.8246878 248.6336 23.98338 248.6336 23.98338 0.000000       0.000000 
1 1 1 0  16 12 f 65.08535 41.13511 0.1241920      0.8096852 0.1241920      0.8096852 0.1241920      0.8096852 65.08535 41.13511 65.08535 41.13511 0.000000       0.000000 
1 1 1 0  16 14 f 701.5563 18.64450 34.95060       1.848159  34.95060       1.848159  34.95060       1.848159  701.5563 18.64450 701.5563 18.64450 0.000000       0.000000 
1 1 1 0  16 16 o 428.2149 24.01969 13.11989       1.445071  13.11989       1.445071  13.11989       1.445071  428.2149 24.01969 428.2149 24.01969 0.000000       0.000000 
1 1 1 0  16 18 o 142.5579 59.63385 2.041674       1.205268  2.041674       1.205268  2.041674       1.205268  142.5579 59.63385 142.5579 59.63385 0.000000       0.000000 
1 1 1 0  16 20 o 235.0408 50.98495 4.444781       1.486732  4.444781       1.486732  4.444781       1.486732  235.0408 50.98495 235.0408 50.98495 -0.000000      0.000000 
1 1 1 0  16 22 f 73.96317 50.08379 -0.7587158     1.553569  -0.7587158     1.553569  -0.7587158     1.553569  73.96317 50.08379 73.96317 50.08379 0.000000       0.000000 
1 1 1 0  16 24 f 371.3552 43.00974 10.23891       2.181499  10.23891       2.181499  10.23891       2.181499  371.3552 43.00974 371.3552 43.00974 0.000000       0.000000 
1 1 1 0  16 26 o 255.1230 99.28630 6.614093       3.415685  6.614093       3.415685  6.614093       3.415685  255.1230 99.28630 255.1230 99.28630 0.000000       0.000000 
1 1 1 0  16 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  16 30 o 176.9245 100.3708 3.710084       3.888320  3.710084       3.888320  3.710084       3.888320  176.9245 100.3708 176.9245 100.3708 0.000000       0.000000 
1 1 1 0  16 32 o 165.0689 96.81689 3.309407       3.805389  3.309407       3.805389  3.309407       3.805389  165.0689 96.81689 165.0689 96.81689 0.000000       0.000000 
1 1 1 0  16 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  16 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  17 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  17 3  o 133.4855 60.20317 1.846074       1.220246  1.846074       1.220246  1.846074       1.220246  133.4855 60.20317 133.4855 60.20317 0.000000       0.000000 
1 1 1 0  17 5  o 548.0532 23.91600 21.42402       1.846887  21.42402       1.846887  21.42402       1.846887  548.0532 23.91600 548.0532 23.91600 -0.000000      0.000000 
1 1 1 0  17 7  o 247.3577 25.08520 4.473222       0.8557608 4.473222       0.8557608 4.473222       0.8557608 247.3577 25.08520 247.3577 25.08520 0.000000       0.000000 
1 1 1 0  17 9  o 88.82333 46.28032 0.8211530      0.7583942 0.8211530      0.7583942 0.8211530      0.7583942 88.82333 46.28032 88.82333 46.28032 0.000000       0.000000 
1 1 1 0  17 11 o 538.2140 17.30581 20.59109       1.315066  20.59109       1.315066  20.59109       1.315066  538.2140 17.30581 538.2140 17.30581 0.000000       0.000000 
1 1 1 0  17 13 o 1268.312 20.19331 114.1004       3.622474  114.1004       3.622474  114.1004       3.622474  1268.312 20.19331 1268.312 20.19331 0.000000       0.000000 
1 1 1 0  17 15 o 366.3874 24.71867 9.645521       1.268098  9.645521       1.268098  9.645521       1.268098  366.3874 24.71867 366.3874 24.71867 0.000000       0.000000 
1 1 1 0  17 17 o 93.00832 53.77694 0.7637970      1.147257  0.7637970      1.147257  0.7637970      1.147257  93.00832 53.77694 93.00832 53.77694 -0.000000      0.000000 
1 1 1 0  17 19 o 1103.871 23.28761 86.50391       3.634349  86.50391       3.634349  86.50391       3.634349  1103.871 23.28761 1103.871 23.28761 -0.000000      0.000000 
1 1 1 0  17 21 o 1350.569 25.48822 129.5986       4.867736  129.5986       4.867736  129.5986       4.867736  1350.569 25.48822 1350.569 25.48822 -0.000000      0.000000 
1 1 1 0  17 23 o 542.4398 31.34698 21.14081       2.387851  21.14081       2.387851  21.14081       2.387851  542.4398 31.34698 542.4398 31.34698 -0.000000      0.000000 
1 1 1 0  17 25 o 383.3544 43.98466 10.93991       2.304925  10.93991       2.304925  10.93991       2.304925  383.3544 43.98466 383.3544 43.98466 -0.000000      0.000000 
1 1 1 0  17 27 o 83.97152 59.54285 -3.587271      2.964908  -3.587271      2.964908  -3.587271      2.964908  83.97152 59.54285 83.97152 59.54285 -0.000000      0.000000 
1 1 1 0  17 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  17 31 f 438.6759 75.11327 16.03922       4.253133  16.03922       4.253133  16.03922       4.253133  438.6759 75.11327 438.6759 75.11327 -0.000000      0.000000 
1 1 1 0  17 33 f 566.6931 61.25246 25.82184       4.767256  25.82184       4.767256  25.82184       4.767256  566.6931 61.25246 566.6931 61.25246 -0.000000      0.000000 
1 1 1 0  17 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  18 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  18 2  f 233.8841 52.75097 4.448217       1.523303  4.448217       1.523303  4.448217       1.523303  233.8841 52.75097 233.8841 52.75097 -0.000000      0.000000 
1 1 1 0  18 4  o 111.1622 60.01670 1.266065       1.313681  1.266065       1.313681  1.266065       1.313681  111.1622 60.01670 111.1622 60.01670 0.000000       0.000000 
1 1 1 0  18 6  o 162.7990 58.65501 2.511838       1.237669  2.511838       1.237669  2.511838       1.237669  162.7990 58.65501 162.7990 58.65501 -0.000000      0.000000 
1 1 1 0  18 8  o 316.5310 22.08294 7.209853       0.9779655 7.209853       0.9779655 7.209853       0.9779655 316.5310 22.08294 316.5310 22.08294 0.000000       0.000000 
1 1 1 0  18 10 o 58.47731 38.45557 -0.1428534     0.8062266 -0.1428534     0.8062266 -0.1428534     0.8062266 58.47731 38.45557 58.47731 38.45557 -0.000000      0.000000 
1 1 1 0  18 12 o 134.0483 52.58266 1.758292       0.9550885 1.758292       0.9550885 1.758292       0.9550885 134.0483 52.58266 134.0483 52.58266 -0.000000      0.000000 
1 1 1 0  18 14 o 414.9405 22.19933 12.30586       1.295026  12.30586       1.295026  12.30586       1.295026  414.9405 22.19933 414.9405 22.19933 0.000000       0.000000 
1 1 1 0  18 16 o 123.5760 59.06532 1.600931       1.184939  1.600931       1.184939  1.600931       1.184939  123.5760 59.06532 123.5760 59.06532 -0.000000      0.000000 
1 1 1 0  18 18 o 116.5110 60.53246 1.419213       1.294776  1.419213       1.294776  1.419213       1.294776  116.5110 60.53246 116.5110 60.53246 0.000000       0.000000 
1 1 1 0  18 20 o 109.3802 61.57497 1.156839       1.448556  1.156839       1.448556  1.156839       1.448556  109.3802 61.57497 109.3802 61.57497 0.000000       0.000000 
1 1 1 0  18 22 o 108.0872 63.64723 0.9900904      1.655786  0.9900904      1.655786  0.9900904      1.655786  108.0872 63.64723 108.0872 63.64723 -0.000000      0.000000 
1 1 1 0  18 24 f 126.3973 71.41869 1.582192       1.958131  1.582192       1.958131  1.582192       1.958131  126.3973 71.41869 126.3973 71.41869 0.000000       0.000000 
1 1 1 0  18 26 o 506.5596 37.37637 18.71182       2.645183  18.71182       2.645183  18.71182       2.645183  506.5596 37.37637 506.5596 37.37637 0.000000       0.000000 
1 1 1 0  18 28 o 126.5403 80.91299 0.7171363      3.242029  0.7171363      3.242029  0.7171363      3.242029  126.5403 80.91299 126.5403 80.91299 -0.000000      0.000000 
1 1 1 0  18 30 o 427.0502 66.08826 14.73522       3.709606  14.73522       3.709606  14.73522       3.709606  427.0502 66.08826 427.0502 66.08826 -0.000000      0.000000 
1 1 1 0  18 32 o 287.2818 100.3723 8.987498       3.691557  8.987498       3.691557  8.987498       3.691557  287.2818 100.3723 287.2818 100.3723 -0.000000      0.000000 
1 1 1 0  18 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  19 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  19 3  f 359.8620 33.22336 9.445875       1.657039  9.445875       1.657039  9.445875       1.657039  359.8620 33.22336 359.8620 33.22336 0.000000       0.000000 
1 1 1 0  19 5  f 141.7851 63.13720 2.085613       1.341807  2.085613       1.341807  2.085613       1.341807  141.7851 63.13720 141.7851 63.13720 0.000000       0.000000 
1 1 1 0  19 7  f 58.14027 38.67191 -0.2481195     0.8534825 -0.2481195     0.8534825 -0.2481195     0.8534825 58.14027 38.67191 58.14027 38.67191 -0.000000      0.000000 
1 1 1 0  19 9  o 56.03167 37.50944 -0.3000181     0.8256208 -0.3000181     0.8256208 -0.3000181     0.8256208 56.03167 37.50944 56.03167 37.50944 0.000000       0.000000 
1 1 1 0  19 11 o 381.9504 21.26481 10.43542       1.141240  10.43542       1.141240  10.43542       1.141240  381.9504 21.26481 381.9504 21.26481 0.000000       0.000000 
1 1 1 0  19 13 o 899.3472 18.62739 57.36749       2.368528  57.36749       2.368528  57.36749       2.368528  899.3472 18.62739 899.3472 18.62739 0.000000       0.000000 
1 1 1 0  19 15 o 337.9709 27.09146 8.254696       1.276039  8.254696       1.276039  8.254696       1.276039  337.9709 27.09146 337.9709 27.09146 -0.000000      0.000000 
1 1 1 0  19 17 o 224.8741 44.86377 3.998280       1.267408  3.998280       1.267408  3.998280       1.267408  224.8741 44.86377 224.8741 44.86377 -0.000000      0.000000 
1 1 1 0  19 19 o 419.6334 29.87338 12.70182       1.753031  12.70182       1.753031  12.70182       1.753031  419.6334 29.87338 419.6334 29.87338 -0.000000      0.000000 
1 1 1 0  19 21 o 701.2714 25.67500 35.06888       2.540339  35.06888       2.540339  35.06888       2.540339  701.2714 25.67500 701.2714 25.67500 -0.000000      0.000000 
1 1 1 0  19 23 o 364.8040 43.86924 9.938890       2.178135  9.938890       2.178135  9.938890       2.178135  364.8040 43.86924 364.8040 43.86924 -0.000000      0.000000 
1 1 1 0  19 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  19 27 o 149.7602 87.12012 2.378727       3.039928  2.378727       3.039928  2.378727       3.039928  149.7602 87.12012 149.7602 87.12012 0.000000       0.000000 
1 1 1 0  19 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  19 31 o 301.2542 95.67924 9.316884       3.589134  9.316884       3.589134  9.316884       3.589134  301.2542 95.67924 301.2542 95.67924 0.000000       0.000000 
1 1 1 0  19 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  19 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  20 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  20 2  o 162.1758 68.12064 2.674638       1.571432  2.674638       1.571432  2.674638       1.571432  162.1758 68.12064 162.1758 68.12064 0.000000       0.000000 
1 1 1 0  20 4  o 265.0368 46.36340 5.449107       1.579886  5.449107       1.579886  5.449107       1.579886  265.0368 46.36340 265.0368 46.36340 0.000000       0.000000 
1 1 1 0  20 6  o 157.2493 63.41042 2.462029       1.375762  2.462029       1.375762  2.462029       1.375762  157.2493 63.41042 157.2493 63.41042 0.000000       0.000000 
1 1 1 0  20 8  o 57.29547 38.60504 -0.3959503     0.9010439 -0.3959503     0.9010439 -0.3959503     0.9010439 57.29547 38.60504 57.29547 38.60504 0.000000       0.000000 
1 1 1 0  20 10 o 146.7950 49.15970 1.971781       0.9108510 1.971781       0.9108510 1.971781       0.9108510 146.7950 49.15970 146.7950 49.15970 0.000000       0.000000 
1 1 1 0  20 12 o 583.3625 18.58408 24.17928       1.530732  24.17928       1.530732  24.17928       1.530732  583.3625 18.58408 583.3625 18.58408 0.000000       0.000000 
1 1 1 0  20 14 o 520.0950 20.94078 19.26023       1.535639  19.26023       1.535639  19.26023       1.535639  520.0950 20.94078 520.0950 20.94078 0.000000       0.000000 
1 1 1 0  20 16 o 272.4034 34.71036 5.524219       1.278833  5.524219       1.278833  5.524219       1.278833  272.4034 34.71036 272.4034 34.71036 0.000000       0.000000 
1 1 1 0  20 18 o 138.0661 63.38895 1.996796       1.354548  1.996796       1.354548  1.996796       1.354548  138.0661 63.38895 138.0661 63.38895 -0.000000      0.000000 
1 1 1 0  20 20 o 381.9292 35.12154 10.65326       1.859468  10.65326       1.859468  10.65326       1.859468  381.9292 35.12154 381.9292 35.12154 0.000000       0.000000 
1 1 1 0  20 22 o 310.9836 49.43497 7.446355       2.011220  7.446355       2.011220  7.446355       2.011220  310.9836 49.43497 310.9836 49.43497 0.000000       0.000000 
1 1 1 0  20 24 o 101.8180 64.38709 0.4118588      1.986920  0.4118588      1.986920  0.4118588      1.986920  101.8180 64.38709 101.8180 64.38709 -0.000000      0.000000 
1 1 1 0  20 26 o 110.3881 68.67053 0.7810515      2.163167  0.7810515      2.163167  0.7810515      2.163167  110.3881 68.67053 110.3881 68.67053 -0.000000      0.000000 
1 1 1 0  20 28 o 122.8218 77.95834 0.8946337      2.943984  0.8946337      2.943984  0.8946337      2.943984  122.8218 77.95834 122.8218 77.95834 0.000000       0.000000 
1 1 1 0  20 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  20 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  20 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  21 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  21 3  o 106.5681 62.77685 0.9486737      1.611891  0.9486737      1.611891  0.9486737      1.611891  106.5681 62.77685 106.5681 62.77685 -0.000000      0.000000 
1 1 1 0  21 5  o 89.55180 55.84487 0.3649693      1.439498  0.3649693      1.439498  0.3649693      1.439498  89.55180 55.84487 89.55180 55.84487 -0.000000      0.000000 
1 1 1 0  21 7  o 154.1978 67.39760 2.441996       1.530100  2.441996       1.530100  2.441996       1.530100  154.1978 67.39760 154.1978 67.39760 0.000000       0.000000 
1 1 1 0  21 9  o 237.6874 33.12339 4.237010       1.052343  4.237010       1.052343  4.237010       1.052343  237.6874 33.12339 237.6874 33.12339 -0.000000      0.000000 
1 1 1 0  21 11 o 373.3693 22.29359 9.984545       1.168272  9.984545       1.168272  9.984545       1.168272  373.3693 22.29359 373.3693 22.29359 0.000000       0.000000 
1 1 1 0  21 13 o 485.1824 21.48099 16.78143       1.468358  16.78143       1.468358  16.78143       1.468358  485.1824 21.48099 485.1824 21.48099 0.000000       0.000000 
1 1 1 0  21 15 o 440.3169 23.84453 13.87304       1.475824  13.87304       1.475824  13.87304       1.475824  440.3169 23.84453 440.3169 23.84453 0.000000       0.000000 
1 1 1 0  21 17 o 113.1656 60.13869 1.332747       1.300435  1.332747       1.300435  1.332747       1.300435  113.1656 60.13869 113.1656 60.13869 -0.000000      0.000000 
1 1 1 0  21 19 o 380.7271 33.86107 10.56767       1.789724  10.56767       1.789724  10.56767       1.789724  380.7271 33.86107 380.7271 33.86107 -0.000000      0.000000 
1 1 1 0  21 21 o 168.8060 73.54984 2.976188       1.822627  2.976188       1.822627  2.976188       1.822627  168.8060 73.54984 168.8060 73.54984 0.000000       0.000000 
1 1 1 0  21 23 o 93.44641 60.77338 -0.3457130E-01 1.933442  -0.3457130E-01 1.933442  -0.3457130E-01 1.933442  93.44641 60.77338 93.44641 60.77338 -0.000000      0.000000 
1 1 1 0  21 25 o 141.9359 79.30656 2.215254       2.380570  2.215254       2.380570  2.215254       2.380570  141.9359 79.30656 141.9359 79.30656 0.000000       0.000000 
1 1 1 0  21 27 o 128.6138 74.48092 1.751882       2.206049  1.751882       2.206049  1.751882       2.206049  128.6138 74.48092 128.6138 74.48092 0.000000       0.000000 
1 1 1 0  21 29 o 127.5221 79.85536 1.404910       2.975493  1.404910       2.975493  1.404910       2.975493  127.5221 79.85536 127.5221 79.85536 0.000000       0.000000 
1 1 1 0  21 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  21 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  22 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  22 2  o 143.7664 72.30964 2.191592       1.811627  2.191592       1.811627  2.191592       1.811627  143.7664 72.30964 143.7664 72.30964 0.000000       0.000000 
1 1 1 0  22 4  o 193.6389 67.52184 3.504032       1.672660  3.504032       1.672660  3.504032       1.672660  193.6389 67.52184 193.6389 67.52184 0.000000       0.000000 
1 1 1 0  22 6  o 251.2036 54.35028 5.077355       1.694436  5.077355       1.694436  5.077355       1.694436  251.2036 54.35028 251.2036 54.35028 -0.000000      0.000000 
1 1 1 0  22 8  o 715.1490 27.44314 36.43677       2.768173  36.43677       2.768173  36.43677       2.768173  715.1490 27.44314 715.1490 27.44314 0.000000       0.000000 
1 1 1 0  22 10 o 119.1255 55.21519 1.478024       1.028957  1.478024       1.028957  1.478024       1.028957  119.1255 55.21519 119.1255 55.21519 -0.000000      0.000000 
1 1 1 0  22 12 o 306.8400 27.76691 6.843654       1.181912  6.843654       1.181912  6.843654       1.181912  306.8400 27.76691 306.8400 27.76691 -0.000000      0.000000 
1 1 1 0  22 14 o 108.4521 57.02164 1.226321       1.159078  1.226321       1.159078  1.226321       1.159078  108.4521 57.02164 108.4521 57.02164 0.000000       0.000000 
1 1 1 0  22 16 f 119.2875 60.23333 1.509667       1.259646  1.509667       1.259646  1.509667       1.259646  119.2875 60.23333 119.2875 60.23333 -0.000000      0.000000 
1 1 1 0  22 18 o 91.75916 56.56065 0.4890375      1.435012  0.4890375      1.435012  0.4890375      1.435012  91.75916 56.56065 91.75916 56.56065 -0.000000      0.000000 
1 1 1 0  22 20 o 100.9009 62.43562 0.5875641      1.764813  0.5875641      1.764813  0.5875641      1.764813  100.9009 62.43562 100.9009 62.43562 0.000000       0.000000 
1 1 1 0  22 22 f 127.4374 73.58566 1.590277       2.143728  1.590277       2.143728  1.590277       2.143728  127.4374 73.58566 127.4374 73.58566 0.000000       0.000000 
1 1 1 0  22 24 o 97.75780 63.10856 0.1698804      2.033112  0.1698804      2.033112  0.1698804      2.033112  97.75780 63.10856 97.75780 63.10856 -0.000000      0.000000 
1 1 1 0  22 26 o 155.0900 79.47058 2.820815       2.211447  2.820815       2.211447  2.820815       2.211447  155.0900 79.47058 155.0900 79.47058 0.000000       0.000000 
1 1 1 0  22 28 o 93.56691 61.87283 -0.1183480     2.132843  -0.1183480     2.132843  -0.1183480     2.132843  93.56691 61.87283 93.56691 61.87283 -0.000000      0.000000 
1 1 1 0  22 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  22 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  23 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  23 3  o 104.8426 63.48079 0.7569894      1.737157  0.7569894      1.737157  0.7569894      1.737157  104.8426 63.48079 104.8426 63.48079 0.000000       0.000000 
1 1 1 0  23 5  o 257.3741 56.48523 5.348266       1.800888  5.348266       1.800888  5.348266       1.800888  257.3741 56.48523 257.3741 56.48523 -0.000000      0.000000 
1 1 1 0  23 7  o 206.4659 70.47746 3.951462       1.847717  3.951462       1.847717  3.951462       1.847717  206.4659 70.47746 206.4659 70.47746 -0.000000      0.000000 
1 1 1 0  23 9  o 227.8759 39.51453 4.007591       1.159572  4.007591       1.159572  4.007591       1.159572  227.8759 39.51453 227.8759 39.51453 -0.000000      0.000000 
1 1 1 0  23 11 o 534.2703 20.35696 20.32298       1.534113  20.32298       1.534113  20.32298       1.534113  534.2703 20.35696 534.2703 20.35696 0.000000       0.000000 
1 1 1 0  23 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  23 15 o 61.03462 42.08638 -0.9032274     1.211459  -0.9032274     1.211459  -0.9032274     1.211459  61.03462 42.08638 61.03462 42.08638 0.000000       0.000000 
1 1 1 0  23 17 o 79.25071 51.58363 -0.8641457E-01 1.396961  -0.8641457E-01 1.396961  -0.8641457E-01 1.396961  79.25071 51.58363 79.25071 51.58363 -0.000000      0.000000 
1 1 1 0  23 19 o 185.2915 68.71774 3.341098       1.672482  3.341098       1.672482  3.341098       1.672482  185.2915 68.71774 185.2915 68.71774 -0.000000      0.000000 
1 1 1 0  23 21 o 102.9997 63.73069 0.6577344      1.838530  0.6577344      1.838530  0.6577344      1.838530  102.9997 63.73069 102.9997 63.73069 -0.000000      0.000000 
1 1 1 0  23 23 o 118.8541 69.78340 1.365767       1.980473  1.365767       1.980473  1.365767       1.980473  118.8541 69.78340 118.8541 69.78340 -0.000000      0.000000 
1 1 1 0  23 25 o 91.77859 60.67134 -0.2050925     2.048255  -0.2050925     2.048255  -0.2050925     2.048255  91.77859 60.67134 91.77859 60.67134 0.000000       0.000000 
1 1 1 0  23 27 o 130.6414 74.92992 1.958633       2.200584  1.958633       2.200584  1.958633       2.200584  130.6414 74.92992 130.6414 74.92992 -0.000000      0.000000 
1 1 1 0  23 29 o 130.1671 79.96500 1.927303       2.845773  1.927303       2.845773  1.927303       2.845773  130.1671 79.96500 130.1671 79.96500 -0.000000      0.000000 
1 1 1 0  23 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  24 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  24 2  f 118.5278 69.00236 1.233306       1.909286  1.233306       1.909286  1.233306       1.909286  118.5278 69.00236 118.5278 69.00236 0.000000       0.000000 
1 1 1 0  24 4  o 294.0397 53.19504 6.738062       1.998744  6.738062       1.998744  6.738062       1.998744  294.0397 53.19504 294.0397 53.19504 -0.000000      0.000000 
1 1 1 0  24 6  o 89.95783 58.32320 -0.6453922E-01 1.761689  -0.6453922E-01 1.761689  -0.6453922E-01 1.761689  89.95783 58.32320 89.95783 58.32320 -0.000000      0.000000 
1 1 1 0  24 8  f 180.6589 73.86814 3.281056       1.859455  3.281056       1.859455  3.281056       1.859455  180.6589 73.86814 180.6589 73.86814 -0.000000      0.000000 
1 1 1 0  24 10 o 135.7827 59.73035 1.900917       1.201312  1.900917       1.201312  1.900917       1.201312  135.7827 59.73035 135.7827 59.73035 0.000000       0.000000 
1 1 1 0  24 12 o 87.75180 52.51031 0.5861375      1.160767  0.5861375      1.160767  0.5861375      1.160767  87.75180 52.51031 87.75180 52.51031 -0.000000      0.000000 
1 1 1 0  24 14 f 100.0350 56.92692 0.9495255      1.256100  0.9495255      1.256100  0.9495255      1.256100  100.0350 56.92692 100.0350 56.92692 -0.000000      0.000000 
1 1 1 0  24 16 f 168.4382 64.41968 2.782552       1.448478  2.782552       1.448478  2.782552       1.448478  168.4382 64.41968 168.4382 64.41968 0.000000       0.000000 
1 1 1 0  24 18 f 117.4563 65.18692 1.412613       1.595484  1.412613       1.595484  1.412613       1.595484  117.4563 65.18692 117.4563 65.18692 -0.000000      0.000000 
1 1 1 0  24 20 o 98.69940 62.00678 0.4713763      1.809599  0.4713763      1.809599  0.4713763      1.809599  98.69940 62.00678 98.69940 62.00678 0.000000       0.000000 
1 1 1 0  24 22 o 97.86883 62.25865 0.3807156      1.889942  0.3807156      1.889942  0.3807156      1.889942  97.86883 62.25865 97.86883 62.25865 0.000000       0.000000 
1 1 1 0  24 24 o 165.3008 77.47237 3.125724       2.029414  3.125724       2.029414  3.125724       2.029414  165.3008 77.47237 165.3008 77.47237 -0.000000      0.000000 
1 1 1 0  24 26 o 151.4453 78.77710 2.805854       2.194755  2.805854       2.194755  2.805854       2.194755  151.4453 78.77710 151.4453 78.77710 0.000000       0.000000 
1 1 1 0  24 28 o 120.8177 70.74240 1.716645       2.025892  1.716645       2.025892  1.716645       2.025892  120.8177 70.74240 120.8177 70.74240 -0.000000      0.000000 
1 1 1 0  24 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  25 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  25 3  f 139.7641 75.46248 2.026414       2.076958  2.026414       2.076958  2.026414       2.076958  139.7641 75.46248 139.7641 75.46248 -0.000000      0.000000 
1 1 1 0  25 5  o 165.7271 78.70121 2.927095       2.100249  2.927095       2.100249  2.927095       2.100249  165.7271 78.70121 165.7271 78.70121 -0.000000      0.000000 
1 1 1 0  25 7  o 131.5134 72.09102 1.771073       1.924659  1.771073       1.924659  1.771073       1.924659  131.5134 72.09102 131.5134 72.09102 -0.000000      0.000000 
1 1 1 0  25 9  o 58.73625 42.39380 -3.296623      1.799195  -3.296623      1.799195  -3.296623      1.799195  58.73625 42.39380 58.73625 42.39380 0.000000       0.000000 
1 1 1 0  25 11 o 148.3888 60.41981 2.208101       1.245474  2.208101       1.245474  2.208101       1.245474  148.3888 60.41981 148.3888 60.41981 -0.000000      0.000000 
1 1 1 0  25 13 o 134.4504 62.26883 1.909313       1.308498  1.909313       1.308498  1.909313       1.308498  134.4504 62.26883 134.4504 62.26883 -0.000000      0.000000 
1 1 1 0  25 15 o 46.89628 34.26357 -3.341407      1.391212  -3.341407      1.391212  -3.341407      1.391212  46.89628 34.26357 46.89628 34.26357 0.000000       0.000000 
1 1 1 0  25 17 o 66.50630 46.27827 -1.350085      1.551810  -1.350085      1.551810  -1.350085      1.551810  66.50630 46.27827 66.50630 46.27827 -0.000000      0.000000 
1 1 1 0  25 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  25 21 o 137.4553 72.94914 2.146453       1.911323  2.146453       1.911323  2.146453       1.911323  137.4553 72.94914 137.4553 72.94914 -0.000000      0.000000 
1 1 1 0  25 23 o 82.66475 56.11714 -0.7844331     1.975300  -0.7844331     1.975300  -0.7844331     1.975300  82.66475 56.11714 82.66475 56.11714 0.000000       0.000000 
1 1 1 0  25 25 f 78.96578 54.08809 -0.9331986     1.924848  -0.9331986     1.924848  -0.9331986     1.924848  78.96578 54.08809 78.96578 54.08809 -0.000000      0.000000 
1 1 1 0  25 27 o 110.2427 72.09982 0.6102092      2.776365  0.6102092      2.776365  0.6102092      2.776365  110.2427 72.09982 110.2427 72.09982 -0.000000      0.000000 
1 1 1 0  25 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  25 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  26 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  26 2  o 205.6406 83.81599 4.292125       2.396105  4.292125       2.396105  4.292125       2.396105  205.6406 83.81599 205.6406 83.81599 0.000000       0.000000 
1 1 1 0  26 4  o 234.2607 80.01289 5.155015       2.380575  5.155015       2.380575  5.155015       2.380575  234.2607 80.01289 234.2607 80.01289 -0.000000      0.000000 
1 1 1 0  26 6  o 276.2084 65.65653 6.340142       2.227525  6.340142       2.227525  6.340142       2.227525  276.2084 65.65653 276.2084 65.65653 -0.000000      0.000000 
1 1 1 0  26 8  o 79.81178 54.62234 -1.196127      1.954044  -1.196127      1.954044  -1.196127      1.954044  79.81178 54.62234 79.81178 54.62234 -0.000000      0.000000 
1 1 1 0  26 10 o 81.50281 55.20271 -0.8873373     1.889666  -0.8873373     1.889666  -0.8873373     1.889666  81.50281 55.20271 81.50281 55.20271 0.000000       0.000000 
1 1 1 0  26 12 o 84.77258 53.59885 0.2410121      1.376208  0.2410121      1.376208  0.2410121      1.376208  84.77258 53.59885 84.77258 53.59885 0.000000       0.000000 
1 1 1 0  26 14 o 152.4835 66.63904 2.430559       1.495866  2.430559       1.495866  2.430559       1.495866  152.4835 66.63904 152.4835 66.63904 0.000000       0.000000 
1 1 1 0  26 16 o 124.9012 66.49390 1.683335       1.592219  1.683335       1.592219  1.683335       1.592219  124.9012 66.49390 124.9012 66.49390 0.000000       0.000000 
1 1 1 0  26 18 o 79.04213 52.75761 -0.4173587     1.612236  -0.4173587     1.612236  -0.4173587     1.612236  79.04213 52.75761 79.04213 52.75761 -0.000000      0.000000 
1 1 1 0  26 20 o 48.64933 35.71947 -4.363168      1.646706  -4.363168      1.646706  -4.363168      1.646706  48.64933 35.71947 48.64933 35.71947 0.000000       0.000000 
1 1 1 0  26 22 o 111.1059 67.13769 1.125472       1.934936  1.125472       1.934936  1.125472       1.934936  111.1059 67.13769 111.1059 67.13769 0.000000       0.000000 
1 1 1 0  26 24 o 112.3372 68.20859 1.217228       2.017400  1.217228       2.017400  1.217228       2.017400  112.3372 68.20859 112.3372 68.20859 -0.000000      0.000000 
1 1 1 0  26 26 f 69.14975 49.95795 -3.962139      2.527714  -3.962139      2.527714  -3.962139      2.527714  69.14975 49.95795 69.14975 49.95795 -0.000000      0.000000 
1 1 1 0  26 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  26 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  27 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  27 3  o 121.1107 73.48089 1.076378       2.337618  1.076378       2.337618  1.076378       2.337618  121.1107 73.48089 121.1107 73.48089 0.000000       0.000000 
1 1 1 0  27 5  o 143.9444 79.08625 2.166410       2.321996  2.166410       2.321996  2.166410       2.321996  143.9444 79.08625 143.9444 79.08625 -0.000000      0.000000 
1 1 1 0  27 7  o 82.76359 56.86181 -1.423587      2.164358  -1.423587      2.164358  -1.423587      2.164358  82.76359 56.86181 82.76359 56.86181 -0.000000      0.000000 
1 1 1 0  27 9  o 72.69979 51.33889 -2.479393      2.129246  -2.479393      2.129246  -2.479393      2.129246  72.69979 51.33889 72.69979 51.33889 0.000000       0.000000 
1 1 1 0  27 11 o 87.89640 59.25785 -0.8348919     2.128840  -0.8348919     2.128840  -0.8348919     2.128840  87.89640 59.25785 87.89640 59.25785 0.000000       0.000000 
1 1 1 0  27 13 o 59.32686 42.11963 -1.949197      1.499742  -1.949197      1.499742  -1.949197      1.499742  59.32686 42.11963 59.32686 42.11963 -0.000000      0.000000 
1 1 1 0  27 15 o 69.98509 48.40613 -1.218138      1.632923  -1.218138      1.632923  -1.218138      1.632923  69.98509 48.40613 69.98509 48.40613 -0.000000      0.000000 
1 1 1 0  27 17 o 71.45592 48.97104 -0.9253936     1.582739  -0.9253936     1.582739  -0.9253936     1.582739  71.45592 48.97104 71.45592 48.97104 -0.000000      0.000000 
1 1 1 0  27 19 o 91.17146 57.58568 0.4070697      1.583981  0.4070697      1.583981  0.4070697      1.583981  91.17146 57.58568 91.17146 57.58568 0.000000       0.000000 
1 1 1 0  27 21 o 63.23802 44.86895 -2.021890      1.692778  -2.021890      1.692778  -2.021890      1.692778  63.23802 44.86895 63.23802 44.86895 -0.000000      0.000000 
1 1 1 0  27 23 o 110.1944 71.06459 0.6745339      2.569419  0.6745339      2.569419  0.6745339      2.569419  110.1944 71.06459 110.1944 71.06459 -0.000000      0.000000 
1 1 1 0  27 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  27 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  27 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  28 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  28 2  o 72.25181 51.84369 -4.006938      2.518527  -4.006938      2.518527  -4.006938      2.518527  72.25181 51.84369 72.25181 51.84369 -0.000000      0.000000 
1 1 1 0  28 4  o 101.2458 67.03394 -0.4642723     2.516079  -0.4642723     2.516079  -0.4642723     2.516079  101.2458 67.03394 101.2458 67.03394 0.000000       0.000000 
1 1 1 0  28 6  o 102.6879 66.16399 0.1312948      2.220726  0.1312948      2.220726  0.1312948      2.220726  102.6879 66.16399 102.6879 66.16399 -0.000000      0.000000 
1 1 1 0  28 8  o 116.5569 72.28037 0.8277728      2.377861  0.8277728      2.377861  0.8277728      2.377861  116.5569 72.28037 116.5569 72.28037 -0.000000      0.000000 
1 1 1 0  28 10 f 79.18627 55.09052 -1.843881      2.196105  -1.843881      2.196105  -1.843881      2.196105  79.18627 55.09052 79.18627 55.09052 -0.000000      0.000000 
1 1 1 0  28 12 o 118.7686 64.87209 1.498750       1.552649  1.498750       1.552649  1.498750       1.552649  118.7686 64.87209 118.7686 64.87209 0.000000       0.000000 
1 1 1 0  28 14 o 86.04723 55.74699 0.5063247E-01  1.605492  0.5063247E-01  1.605492  0.5063247E-01  1.605492  86.04723 55.74699 86.04723 55.74699 -0.000000      0.000000 
1 1 1 0  28 16 o 150.6329 69.40665 2.515174       1.624593  2.515174       1.624593  2.515174       1.624593  150.6329 69.40665 150.6329 69.40665 -0.000000      0.000000 
1 1 1 0  28 18 o 137.9565 67.87635 2.175991       1.580192  2.175991       1.580192  2.175991       1.580192  137.9565 67.87635 137.9565 67.87635 -0.000000      0.000000 
1 1 1 0  28 20 o 56.50410 40.50425 -2.266246      1.521468  -2.266246      1.521468  -2.266246      1.521468  56.50410 40.50425 56.50410 40.50425 -0.000000      0.000000 
1 1 1 0  28 22 o 168.5977 87.72385 3.802628       2.722122  3.802628       2.722122  3.802628       2.722122  168.5977 87.72385 168.5977 87.72385 0.000000       0.000000 
1 1 1 0  28 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  28 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  28 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  29 1  o 103.9763 68.82863 -0.4391308     2.650558  -0.4391308     2.650558  -0.4391308     2.650558  103.9763 68.82863 103.9763 68.82863 -0.000000      0.000000 
1 1 1 0  29 3  o 172.2661 89.67555 3.336667       2.845564  3.336667       2.845564  3.336667       2.845564  172.2661 89.67555 172.2661 89.67555 -0.000000      0.000000 
1 1 1 0  29 5  o 161.4647 87.52570 2.889885       2.804798  2.889885       2.804798  2.889885       2.804798  161.4647 87.52570 161.4647 87.52570 -0.000000      0.000000 
1 1 1 0  29 7  o 138.6317 80.38038 1.916269       2.574260  1.916269       2.574260  1.916269       2.574260  138.6317 80.38038 138.6317 80.38038 0.000000       0.000000 
1 1 1 0  29 9  o 136.3075 79.01706 1.875673       2.486905  1.875673       2.486905  1.875673       2.486905  136.3075 79.01706 136.3075 79.01706 -0.000000      0.000000 
1 1 1 0  29 11 o 73.96462 52.40849 -2.702706      2.282404  -2.702706      2.282404  -2.702706      2.282404  73.96462 52.40849 73.96462 52.40849 0.000000       0.000000 
1 1 1 0  29 13 o 95.23422 58.99627 0.5957327      1.580109  0.5957327      1.580109  0.5957327      1.580109  95.23422 58.99627 95.23422 58.99627 -0.000000      0.000000 
1 1 1 0  29 15 o 149.5259 69.08589 2.500535       1.610164  2.500535       1.610164  2.500535       1.610164  149.5259 69.08589 149.5259 69.08589 -0.000000      0.000000 
1 1 1 0  29 17 o 53.34447 38.51686 -2.619696      1.491966  -2.619696      1.491966  -2.619696      1.491966  53.34447 38.51686 53.34447 38.51686 0.000000       0.000000 
1 1 1 0  29 19 o 75.31066 52.71235 -1.721766      2.096877  -1.721766      2.096877  -1.721766      2.096877  75.31066 52.71235 75.31066 52.71235 0.000000       0.000000 
1 1 1 0  29 21 o 133.7338 77.49540 2.287158       2.390612  2.287158       2.390612  2.287158       2.390612  133.7338 77.49540 133.7338 77.49540 -0.000000      0.000000 
1 1 1 0  29 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  29 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  29 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  30 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  30 2  o 81.71259 58.14671 -3.753124      2.918399  -3.753124      2.918399  -3.753124      2.918399  81.71259 58.14671 81.71259 58.14671 -0.000000      0.000000 
1 1 1 0  30 4  o 147.2528 86.43253 2.195299       3.036740  2.195299       3.036740  2.195299       3.036740  147.2528 86.43253 147.2528 86.43253 -0.000000      0.000000 
1 1 1 0  30 6  o 222.0547 93.11745 5.359401       2.937261  5.359401       2.937261  5.359401       2.937261  222.0547 93.11745 222.0547 93.11745 0.000000       0.000000 
1 1 1 0  30 8  o 128.0081 77.52380 1.454434       2.591905  1.454434       2.591905  1.454434       2.591905  128.0081 77.52380 128.0081 77.52380 -0.000000      0.000000 
1 1 1 0  30 10 o 134.7121 77.91113 1.950847       2.409072  1.950847       2.409072  1.950847       2.409072  134.7121 77.91113 134.7121 77.91113 -0.000000      0.000000 
1 1 1 0  30 12 o 136.5525 76.55572 2.134003       2.227512  2.134003       2.227512  2.134003       2.227512  136.5525 76.55572 136.5525 76.55572 0.000000       0.000000 
1 1 1 0  30 14 o 83.77381 54.91863 -0.3999568E-01 1.624950  -0.3999568E-01 1.624950  -0.3999568E-01 1.624950  83.77381 54.91863 83.77381 54.91863 0.000000       0.000000 
1 1 1 0  30 16 o 77.66726 51.96219 -0.3434208     1.580257  -0.3434208     1.580257  -0.3434208     1.580257  77.66726 51.96219 77.66726 51.96219 0.000000       0.000000 
1 1 1 0  30 18 o 100.6003 65.80876 0.2874231      2.314954  0.2874231      2.314954  0.2874231      2.314954  100.6003 65.80876 100.6003 65.80876 0.000000       0.000000 
1 1 1 0  30 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  30 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  30 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  31 1  o 190.2324 96.81640 4.392459       3.268790  4.392459       3.268790  4.392459       3.268790  190.2324 96.81640 190.2324 96.81640 0.000000       0.000000 
1 1 1 0  31 3  o 106.3008 72.06743 -1.064868      3.236085  -1.064868      3.236085  -1.064868      3.236085  106.3008 72.06743 106.3008 72.06743 0.000000       0.000000 
1 1 1 0  31 5  o 220.2321 95.19358 5.514709       3.055440  5.514709       3.055440  5.514709       3.055440  220.2321 95.19358 220.2321 95.19358 -0.000000      0.000000 
1 1 1 0  31 7  o 81.05781 57.30387 -2.836458      2.676797  -2.836458      2.676797  -2.836458      2.676797  81.05781 57.30387 81.05781 57.30387 -0.000000      0.000000 
1 1 1 0  31 9  f 66.63774 48.21664 -4.272990      2.399577  -4.272990      2.399577  -4.272990      2.399577  66.63774 48.21664 66.63774 48.21664 0.000000       0.000000 
1 1 1 0  31 11 o 118.8358 71.57874 1.381104       2.185028  1.381104       2.185028  1.381104       2.185028  118.8358 71.57874 118.8358 71.57874 0.000000       0.000000 
1 1 1 0  31 13 o 72.41674 51.25428 -2.315472      2.162266  -2.315472      2.162266  -2.315472      2.162266  72.41674 51.25428 72.41674 51.25428 -0.000000      0.000000 
1 1 1 0  31 15 o 90.50948 60.23954 -0.1791452     2.076366  -0.1791452     2.076366  -0.1791452     2.076366  90.50948 60.23954 90.50948 60.23954 0.000000       0.000000 
1 1 1 0  31 17 f 146.4480 78.59112 2.822008       2.240012  2.822008       2.240012  2.822008       2.240012  146.4480 78.59112 146.4480 78.59112 -0.000000      0.000000 
1 1 1 0  31 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  31 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  31 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  32 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  32 2  o 147.8374 89.25147 2.405582       3.413068  2.405582       3.413068  2.405582       3.413068  147.8374 89.25147 147.8374 89.25147 0.000000       0.000000 
1 1 1 0  32 4  o 140.6557 85.63862 2.068565       3.199117  2.068565       3.199117  2.068565       3.199117  140.6557 85.63862 140.6557 85.63862 0.000000       0.000000 
1 1 1 0  32 6  f 132.6935 80.59880 1.804672       2.819160  1.804672       2.819160  1.804672       2.819160  132.6935 80.59880 132.6935 80.59880 0.000000       0.000000 
1 1 1 0  32 8  o 212.0249 88.16188 5.113771       2.637679  5.113771       2.637679  5.113771       2.637679  212.0249 88.16188 212.0249 88.16188 -0.000000      0.000000 
1 1 1 0  32 10 o 77.69196 54.37904 -1.812698      2.231555  -1.812698      2.231555  -1.812698      2.231555  77.69196 54.37904 77.69196 54.37904 0.000000       0.000000 
1 1 1 0  32 12 o 85.94429 58.60004 -0.7977806     2.203798  -0.7977806     2.203798  -0.7977806     2.203798  85.94429 58.60004 85.94429 58.60004 0.000000       0.000000 
1 1 1 0  32 14 f 120.1875 71.68759 1.659048       2.150093  1.659048       2.150093  1.659048       2.150093  120.1875 71.68759 120.1875 71.68759 0.000000       0.000000 
1 1 1 0  32 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  32 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  32 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  32 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  33 1  o 114.6960 76.00829 0.1604675      3.246855  0.1604675      3.246855  0.1604675      3.246855  114.6960 76.00829 114.6960 76.00829 -0.000000      0.000000 
1 1 1 0  33 3  o 104.2652 71.23123 -1.004184      3.290749  -1.004184      3.290749  -1.004184      3.290749  104.2652 71.23123 104.2652 71.23123 0.000000       0.000000 
1 1 1 0  33 5  o 65.15069 47.70317 -6.381575      2.794873  -6.381575      2.794873  -6.381575      2.794873  65.15069 47.70317 65.15069 47.70317 0.000000       0.000000 
1 1 1 0  33 7  o 102.1377 67.65154 0.4707524E-01  2.566829  0.4707524E-01  2.566829  0.4707524E-01  2.566829  102.1377 67.65154 102.1377 67.65154 -0.000000      0.000000 
1 1 1 0  33 9  o 77.82633 54.77763 -2.063500      2.360969  -2.063500      2.360969  -2.063500      2.360969  77.82633 54.77763 77.82633 54.77763 -0.000000      0.000000 
1 1 1 0  33 11 o 87.18418 58.72138 -0.3650914     2.080983  -0.3650914     2.080983  -0.3650914     2.080983  87.18418 58.72138 87.18418 58.72138 0.000000       0.000000 
1 1 1 0  33 13 o 124.7062 73.53807 1.985986       2.215904  1.985986       2.215904  1.985986       2.215904  124.7062 73.53807 124.7062 73.53807 0.000000       0.000000 
1 1 1 0  33 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  33 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  33 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  33 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  34 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  34 2  o 128.0721 82.50009 1.423630       3.450055  1.423630       3.450055  1.423630       3.450055  128.0721 82.50009 128.0721 82.50009 -0.000000      0.000000 
1 1 1 0  34 4  f 90.31134 63.34370 -2.128185      3.074514  -2.128185      3.074514  -2.128185      3.074514  90.31134 63.34370 90.31134 63.34370 -0.000000      0.000000 
1 1 1 0  34 6  o 115.0358 73.76322 1.059873       2.717929  1.059873       2.717929  1.059873       2.717929  115.0358 73.76322 115.0358 73.76322 -0.000000      0.000000 
1 1 1 0  34 8  o 107.6837 69.72865 0.7729719      2.507449  0.7729719      2.507449  0.7729719      2.507449  107.6837 69.72865 107.6837 69.72865 -0.000000      0.000000 
1 1 1 0  34 10 o 86.81907 58.94094 -0.4248411     2.179781  -0.4248411     2.179781  -0.4248411     2.179781  86.81907 58.94094 86.81907 58.94094 0.000000       0.000000 
1 1 1 0  34 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  34 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  34 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  34 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  34 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  35 1  o 102.2893 70.44388 -0.7586153     3.368309  -0.7586153     3.368309  -0.7586153     3.368309  102.2893 70.44388 102.2893 70.44388 0.000000       0.000000 
1 1 1 0  35 3  o 114.0507 75.95858 0.6983499      3.310794  0.6983499      3.310794  0.6983499      3.310794  114.0507 75.95858 114.0507 75.95858 0.000000       0.000000 
1 1 1 0  35 5  o 94.97983 64.73846 -0.3939944     2.684744  -0.3939944     2.684744  -0.3939944     2.684744  94.97983 64.73846 94.97983 64.73846 0.000000       0.000000 
1 1 1 0  35 7  o 110.9387 70.95861 1.257009       2.495732  1.257009       2.495732  1.257009       2.495732  110.9387 70.95861 110.9387 70.95861 0.000000       0.000000 
1 1 1 0  35 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  35 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  35 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  35 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  35 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  36 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  36 2  o 84.33736 60.34379 -2.945254      3.313100  -2.945254      3.313100  -2.945254      3.313100  84.33736 60.34379 84.33736 60.34379 -0.000000      0.000000 
1 1 1 0  36 4  o 100.8976 68.68424 0.1470581      3.001689  0.1470581      3.001689  0.1470581      3.001689  100.8976 68.68424 100.8976 68.68424 0.000000       0.000000 
1 1 1 0  36 6  o 80.81131 57.04307 -1.702760      2.619711  -1.702760      2.619711  -1.702760      2.619711  80.81131 57.04307 80.81131 57.04307 0.000000       0.000000 
1 1 1 0  36 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  36 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  36 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  36 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  37 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  38 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  38 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  38 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  38 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  38 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  39 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0  39 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  0  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  0  5  o 574.9642 14.49819 23.44130       1.178013  23.44130       1.178013  23.44130       1.178013  574.9642 14.49819 574.9642 14.49819 0.000000       0.000000 
1 1 1 1  0  7  o 318.9478 19.47182 7.280902       0.8713301 7.280902       0.8713301 7.280902       0.8713301 318.9478 19.47182 318.9478 19.47182 0.000000       0.000000 
1 1 1 1  0  9  o 2120.239 28.35023 318.4997       8.503275  318.4997       8.503275  318.4997       8.503275  2120.239 28.35023 2120.239 28.35023 -0.000000      0.000000 
1 1 1 1  0  11 o 938.2842 28.58974 62.51677       3.788350  62.51677       3.788350  62.51677       3.788350  938.2842 28.58974 938.2842 28.58974 0.000000       0.000000 
1 1 1 1  0  13 o 390.0347 40.06533 11.11976       2.153491  11.11976       2.153491  11.11976       2.153491  390.0347 40.06533 390.0347 40.06533 0.000000       0.000000 
1 1 1 1  0  15 f 142.6732 72.04442 2.132355       1.802122  2.132355       1.802122  2.132355       1.802122  142.6732 72.04442 142.6732 72.04442 0.000000       0.000000 
1 1 1 1  0  17 o 1564.238 38.32699 174.0876       8.473012  174.0876       8.473012  174.0876       8.473012  1564.238 38.32699 1564.238 38.32699 -0.000000      0.000000 
1 1 1 1  0  19 o 1031.506 36.64721 75.95192       5.334404  75.95192       5.334404  75.95192       5.334404  1031.506 36.64721 1031.506 36.64721 0.000000       0.000000 
1 1 1 1  0  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  0  23 f 3266.445 63.66735 763.5845       29.40624  763.5845       29.40624  763.5845       29.40624  3266.445 63.66735 3266.445 63.66735 0.000000       0.000000 
1 1 1 1  0  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  0  27 o 872.4413 46.54230 54.73625       5.708915  54.73625       5.708915  54.73625       5.708915  872.4413 46.54230 872.4413 46.54230 -0.000000      0.000000 
1 1 1 1  0  29 o 547.7092 64.60098 22.47651       4.824656  22.47651       4.824656  22.47651       4.824656  547.7092 64.60098 547.7092 64.60098 0.000000       0.000000 
1 1 1 1  0  31 o 216.8999 108.8547 5.281401       4.100948  5.281401       4.100948  5.281401       4.100948  216.8999 108.8547 216.8999 108.8547 0.000000       0.000000 
1 1 1 1  0  33 o 747.0911 45.87333 40.80910       4.807788  40.80910       4.807788  40.80910       4.807788  747.0911 45.87333 747.0911 45.87333 -0.000000      0.000000 
1 1 1 1  0  35 o 166.4374 91.97980 3.206796       3.161157  3.206796       3.161157  3.206796       3.161157  166.4374 91.97980 166.4374 91.97980 0.000000       0.000000 
1 1 1 1  0  37 o 498.2939 55.18973 19.32531       3.770082  19.32531       3.770082  19.32531       3.770082  498.2939 55.18973 498.2939 55.18973 -0.000000      0.000000 
1 1 1 1  0  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  1  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  1  2  f 2172.625 21.37403 334.2906       6.571899  353.1133       11.98877  326.2049       7.857682  2230.933 37.97243 2145.769 25.87568 85.16431       45.95058 
1 1 1 1  1  4  f 1900.489 19.59474 255.7564       5.270171  255.9120       6.478231  255.4517       9.062488  1900.726 24.08337 1898.044 33.73815 2.681274       41.45204 
1 1 1 1  1  6  o 476.3249 11.08267 16.05809       0.7470806 17.47014       1.089243  14.80378       1.026600  496.5306 15.52003 457.0134 15.89697 39.51721       22.21678 
1 1 1 1  1  8  o 985.1558 15.13440 68.70378       2.110036  68.36179       3.579780  68.88586       2.612019  981.9746 25.78173 986.3516 18.71220 -4.377014      31.85662 
1 1 1 1  1  10 o 2294.666 24.63224 373.0002       7.999135  365.9502       9.675355  388.2267       14.21906  2272.258 30.08773 2338.393 42.96686 -66.13477      52.45400 
1 1 1 1  1  12 o 2222.944 24.93450 350.1060       7.844206  346.9923       9.621819  356.2768       13.54536  2212.306 30.73210 2239.689 42.73491 -27.38330      52.63777 
1 1 1 1  1  14 o 540.4006 24.03469 20.73648       1.833522  20.93028       2.742896  20.57994       2.465252  541.7635 35.97887 537.5697 32.55724 4.193787       48.52271 
1 1 1 1  1  16 o 444.4937 29.46925 14.08995       1.843297  13.73360       2.648321  14.42481       2.567204  436.8060 43.41534 448.1766 40.92657 -11.37064      59.66470 
1 1 1 1  1  18 o 985.5731 25.34565 69.06424       3.532250  66.36073       5.010437  71.73544       4.980412  963.5104 36.81281 1002.259 35.16727 -38.74908      50.91091 
1 1 1 1  1  20 o 415.9662 47.81576 12.62353       2.763674  0.000000       0.000000  12.62353       2.763674  ?        ?        415.9662 47.81576 ?              ?        
1 1 1 1  1  22 o 1122.776 41.43640 90.27373       6.572783  90.27373       6.572783  0.000000       0.000000  1122.776 41.43640 ?        ?        ?              ?        
1 1 1 1  1  24 o 125.5475 56.55925 -1.045451      2.117455  -2.422397      3.150135  0.8947467E-01  2.859923  143.7379 66.34669 164.6799 70.07310 -20.94200      96.49934 
1 1 1 1  1  26 o 140.8123 61.24802 -0.3262528     2.278501  3.555157       3.464876  -3.283574      3.024421  233.8675 83.22049 131.7678 62.17271 102.0997       103.8802 
1 1 1 1  1  28 o 1051.289 32.60598 78.96037       4.845225  78.63871       6.877563  79.27733       6.827082  1043.932 46.67047 1048.405 46.12653 -4.472900      65.61852 
1 1 1 1  1  30 o 357.5355 53.19830 9.502059       2.609887  7.784820       3.246889  12.63733       4.387220  316.7200 73.81068 403.1685 79.71818 -86.44849      108.6416 
1 1 1 1  1  32 o 800.8192 32.61798 46.27451       3.688939  46.51652       4.607879  45.84256       6.156065  798.5174 40.91164 782.5984 55.95246 15.91895       69.31407 
1 1 1 1  1  34 o 395.2646 46.25864 11.77727       2.538733  8.347605       3.693111  14.84998       3.495644  312.1075 82.40968 437.2943 57.90696 -125.1868      100.7203 
1 1 1 1  1  36 o 131.6193 59.28620 -0.5457972     2.325616  -2.533601      3.302678  1.409222       3.275329  136.8428 64.68861 177.7431 75.28431 -40.90034      99.25896 
1 1 1 1  1  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  1  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  2  1  f 4064.324 27.10381 1170.454       15.58973  1224.867       28.29706  1146.741       18.68038  4151.666 48.16140 4021.673 32.82155 129.9929       58.28186 
1 1 1 1  2  3  o 460.8916 8.872869 15.03316       0.5787388 15.31255       0.8282737 14.76663       0.8089876 464.9499 12.59936 456.5829 12.53180 8.367004       17.77047 
1 1 1 1  2  5  o 1582.972 15.22527 177.3866       3.410814  180.0840       4.871062  174.7917       4.777535  1594.620 21.58473 1571.020 21.48832 23.60034       30.45732 
1 1 1 1  2  7  o 1436.531 17.14649 146.1009       3.485860  144.4451       4.276838  149.3777       6.016503  1428.167 21.16041 1451.805 29.28304 -23.63770      36.12837 
1 1 1 1  2  9  o 1938.929 21.56443 266.2454       5.917248  265.8125       7.289336  267.0818       10.13261  1936.925 26.59226 1940.388 36.89887 -3.462891      45.48269 
1 1 1 1  2  11 o 1948.595 22.31009 268.9342       6.152372  265.5720       7.532502  275.6725       10.66354  1935.899 27.49393 1971.042 38.22837 -35.14343      47.08848 
1 1 1 1  2  13 o 287.4805 26.25494 5.905904       1.056389  5.234251       1.307545  7.168355       1.792633  269.3350 35.14119 315.0228 41.19564 -45.68781      54.14780 
1 1 1 1  2  15 o 652.9329 24.32535 30.26617       2.243817  28.03217       3.307247  32.17151       3.054297  626.8842 37.44930 672.3901 32.19093 -45.50592      49.38326 
1 1 1 1  2  17 f 1069.180 24.84610 81.14883       3.759488  78.50850       5.462168  83.52553       5.182302  1048.999 36.85066 1082.721 33.86263 -33.72205      50.04646 
1 1 1 1  2  19 o 777.3515 27.16916 43.05077       2.984319  44.18422       4.543787  42.19091       3.957602  784.1403 41.08870 767.4342 36.54439 16.70612       54.98885 
1 1 1 1  2  21 o 1198.742 28.38993 102.3041       4.816258  117.4591       7.596452  92.11744       6.228015  1279.177 42.01941 1133.841 38.87054 145.3369       57.24115 
1 1 1 1  2  23 o 980.6073 29.88683 68.40924       4.142739  72.68607       6.259312  65.07539       5.526347  1007.713 43.99646 954.1187 41.02341 53.59467       60.15487 
1 1 1 1  2  25 o 1191.969 30.47208 101.0622       5.136066  97.97541       7.294728  104.0968       7.232660  1170.265 44.12489 1206.814 42.41444 -36.54883      61.20449 
1 1 1 1  2  27 o 1169.530 32.27758 97.60067       5.337239  90.28719       7.449880  105.3125       7.650092  1119.524 47.12686 1210.282 44.74128 -90.75806      64.98248 
1 1 1 1  2  29 o 1577.093 28.63044 177.3426       6.390065  183.2059       8.078223  167.5405       10.44494  1599.596 35.68501 1521.362 48.57476 78.23425       60.27377 
1 1 1 1  2  31 o 959.6506 30.94988 66.06784       4.197818  69.51774       5.373590  60.66584       6.724171  980.6133 38.79760 907.9151 52.55742 72.69824       65.32638 
1 1 1 1  2  33 o 1008.389 31.02222 73.51608       4.421851  75.90704       5.533631  69.29234       7.354846  1018.901 38.44484 958.0293 54.47136 60.87201       66.67184 
1 1 1 1  2  35 o 534.7148 42.94350 21.44833       3.222369  18.79277       4.004737  26.32508       5.427022  488.2412 59.16450 569.0066 68.78916 -80.76538      90.73250 
1 1 1 1  2  37 o 385.6687 45.54812 11.61914       2.438111  16.50639       3.657885  7.712110       3.270556  446.7921 59.31407 286.8522 78.36110 159.9399       98.27828 
1 1 1 1  2  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  3  0  o 3747.091 30.64015 994.5853       16.24574  994.5853       16.24574  994.5853       16.24574  3747.091 30.64015 3747.091 30.64015 0.000000       0.000000 
1 1 1 1  3  2  o 158.4114 11.17965 1.784920       0.2490211 1.564894       0.3451742 2.023732       0.3596070 147.7225 16.80961 168.3899 15.25546 -20.66743      22.70004 
1 1 1 1  3  4  o 1594.536 17.25408 180.0100       3.893552  175.2714       4.713052  190.1949       6.909678  1573.191 21.16903 1638.134 29.80496 -64.94336      36.55767 
1 1 1 1  3  6  o 1751.283 22.87799 217.2298       5.670144  213.1761       7.899193  221.5386       8.143997  1734.051 32.18852 1767.698 32.55441 -33.64624      45.78090 
1 1 1 1  3  8  o 1368.539 20.35104 132.6274       3.941518  132.2983       5.566613  132.9583       5.581713  1366.322 28.78845 1369.725 28.79481 -3.403442      40.71751 
1 1 1 1  3  10 o 2144.370 28.19512 325.8547       8.556445  322.1483       12.00107  329.6868       12.20273  2130.595 39.80149 2155.347 40.00551 -24.75244      56.43226 
1 1 1 1  3  12 o 1263.416 21.98229 113.0654       3.930421  108.8885       5.538063  117.3045       5.579073  1238.776 31.61551 1286.256 30.64889 -47.47998      44.03288 
1 1 1 1  3  14 o 545.9191 22.82521 21.15577       1.759559  22.03999       2.596617  20.40499       2.392661  556.2747 33.13378 535.3203 31.72485 20.95441       45.87280 
1 1 1 1  3  16 f 587.6617 21.80509 24.52096       1.810303  23.36643       2.175232  27.12238       3.265196  573.1192 26.89390 616.0855 37.62919 -42.96631      46.25190 
1 1 1 1  3  18 o 1062.036 25.84766 80.17185       3.884904  82.09634       5.880867  78.68174       5.174783  1071.000 38.86448 1049.623 34.88534 21.37683       52.22485 
1 1 1 1  3  20 o 468.3541 45.03113 15.91494       2.948002  0.000000       0.000000  15.91494       2.948002  ?        ?        468.3541 45.03113 ?              ?        
1 1 1 1  3  22 o 717.4059 49.10381 37.10774       4.955339  37.10774       4.955339  0.000000       0.000000  717.4059 49.10381 ?        ?        ?              ?        
1 1 1 1  3  24 f 742.5904 27.54251 39.20914       2.889478  35.45677       3.637416  45.62674       4.756926  704.7781 36.59407 798.6478 42.23750 -93.86975      55.88499 
1 1 1 1  3  26 o 1848.811 27.86214 243.0279       7.289985  237.1348       8.950325  254.6424       12.56521  1823.866 34.67576 1883.521 47.17602 -59.65503      58.54900 
1 1 1 1  3  28 o 984.4948 27.57792 69.07365       3.838545  66.96322       4.768721  72.95762       6.469243  967.2609 34.89399 1005.705 45.57146 -38.44385      57.39642 
1 1 1 1  3  30 f 842.8533 30.74063 50.86166       3.660636  54.82976       4.738959  44.99098       5.764159  872.3040 38.48269 783.9911 52.25055 88.31281       64.89250 
1 1 1 1  3  32 o 707.6833 33.79221 36.23212       3.374573  37.29546       4.360302  34.64394       5.328804  712.9863 43.41897 679.2098 55.93304 33.77643       70.80757 
1 1 1 1  3  34 o 131.4698 60.61438 -1.484533      2.618515  0.9645946      3.428168  -4.914622      4.057038  179.6362 76.58749 140.9339 67.97583 38.70230       102.4029 
1 1 1 1  3  36 o 138.2569 62.53501 -0.6068454     2.618884  1.241574       3.345500  -3.532094      4.208643  175.9839 75.36034 148.6252 71.03825 27.35878       103.5645 
1 1 1 1  3  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  3  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  4  1  f 2034.509 20.13347 293.1132       5.796931  295.3124       10.15252  292.0494       7.061152  2040.557 35.15649 2030.440 24.57342 10.11694       42.89326 
1 1 1 1  4  3  o 1978.281 24.21546 277.2281       6.779545  280.6663       9.699420  273.9438       9.479800  1989.407 34.45104 1965.483 34.08082 23.92371       48.46005 
1 1 1 1  4  5  f 1185.530 17.18200 99.50654       2.882744  96.24797       3.979125  103.1060       4.182074  1165.649 24.12125 1206.443 24.49430 -40.79346      34.37740 
1 1 1 1  4  7  o 1787.815 23.47092 226.3992       5.938442  229.4759       8.523949  223.4976       8.277905  1798.980 33.48072 1775.450 32.94521 23.52979       46.97175 
1 1 1 1  4  9  o 1661.019 23.08882 195.4185       5.427454  199.2668       7.810445  191.8249       7.547465  1676.445 32.92053 1644.891 32.42233 31.55359       46.20572 
1 1 1 1  4  11 o 1136.513 20.01593 91.47226       3.219365  92.92464       4.639100  90.12305       4.471275  1144.659 28.66023 1127.664 28.01766 16.99475       40.07990 
1 1 1 1  4  13 o 1841.138 26.40680 240.2806       6.880531  241.3236       9.885070  239.3004       9.583037  1843.433 37.89070 1835.861 36.88448 7.571899       52.87882 
1 1 1 1  4  15 o 397.7949 27.17703 11.27859       1.520773  10.88499       2.188569  11.64609       2.114727  389.0352 40.33593 402.9650 37.51324 -13.92975      55.08385 
1 1 1 1  4  17 o 314.9164 35.35919 7.154777       1.548669  6.675586       2.248849  7.587008       2.135818  300.0654 54.98272 321.8577 48.38594 -21.79230      73.24137 
1 1 1 1  4  19 o 581.7706 40.63580 24.37812       3.324614  0.000000       0.000000  24.37812       3.324614  ?        ?        581.7706 40.63580 ?              ?        
1 1 1 1  4  21 o 1058.699 22.76539 79.61018       3.410887  79.26816       4.295705  80.19373       5.611045  1054.848 28.80258 1058.525 37.51544 -3.677002      47.29690 
1 1 1 1  4  23 o 1558.608 46.35220 173.8420       10.21279  173.8420       10.21279  0.000000       0.000000  1558.608 46.35220 ?        ?        ?              ?        
1 1 1 1  4  25 o 1758.775 26.69887 219.7037       6.645425  218.2923       8.291807  222.2381       11.11147  1751.250 33.45655 1762.461 44.58422 -11.21082      55.74131 
1 1 1 1  4  27 o 904.1996 26.97068 58.22516       3.447389  56.62404       4.290213  61.14301       5.791587  889.9536 34.12693 921.5591 44.53920 -31.60547      56.11050 
1 1 1 1  4  29 o 1396.308 27.58730 138.9803       5.451428  134.3540       6.639377  148.5522       9.550170  1370.156 34.24030 1432.790 47.16297 -62.63354      58.28159 
1 1 1 1  4  31 o 536.1559 40.26949 20.91764       3.033206  17.41885       3.860897  26.55890       4.902494  481.9300 57.75803 595.6599 58.92796 -113.7299      82.51360 
1 1 1 1  4  33 o 592.6317 38.67654 25.78754       3.226063  28.02290       4.161564  22.42131       5.106872  611.6880 48.46958 531.6491 69.54037 80.03888       84.76535 
1 1 1 1  4  35 o 768.1881 36.81380 43.58512       3.990545  42.03448       4.937637  46.50536       6.776004  744.5359 47.10268 763.2943 63.29675 -18.75836      78.89957 
1 1 1 1  4  37 o 318.5673 61.88017 8.619806       2.689224  8.993922       3.376926  7.971252       4.446229  310.9866 77.11184 272.7607 94.48767 38.22589       121.9596 
1 1 1 1  4  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  5  0  o 3390.627 39.89600 815.0287       19.13787  815.0287       19.13787  815.0287       19.13787  3390.627 39.89600 3390.627 39.89600 0.000000       0.000000 
1 1 1 1  5  2  o 2291.311 27.54956 372.0240       8.933434  374.2617       12.70821  369.8381       12.56065  2296.549 39.10109 2282.973 38.87689 13.57544       55.13899 
1 1 1 1  5  4  f 2108.134 25.77609 314.8632       7.690156  311.5414       10.75986  318.3318       10.99500  2095.718 36.27889 2118.378 36.67515 -22.65967      51.58706 
1 1 1 1  5  6  f 635.1005 11.40996 28.54824       1.025525  28.09185       1.233214  29.57141       1.846481  629.9677 13.83249 645.8986 20.22536 -15.93091      24.50312 
1 1 1 1  5  8  o 1469.710 17.11486 152.9286       3.559794  155.7292       4.443690  147.9120       5.947418  1482.892 21.17456 1444.662 29.08990 38.22986       35.98034 
1 1 1 1  5  10 o 1913.563 21.20661 259.3320       5.742935  255.5290       6.988894  267.2386       10.07732  1899.062 26.00456 1940.821 36.68934 -41.75916      44.97049 
1 1 1 1  5  12 o 1013.439 16.21559 72.71935       2.325680  74.37426       2.916443  69.82898       3.854281  1024.737 20.11042 992.1494 27.47672 32.58801       34.04995 
1 1 1 1  5  14 o 731.2227 17.05438 37.86934       1.764840  38.07707       2.179475  37.47373       3.007729  732.7494 21.03906 726.1543 29.32813 6.595093       36.09407 
1 1 1 1  5  16 o 512.3022 24.51546 18.66849       1.772246  16.53091       2.482855  20.88888       2.530492  480.3621 36.80296 540.8582 33.22020 -60.49606      49.57862 
1 1 1 1  5  18 o 277.6613 33.01369 5.574183       1.271897  5.135252       1.528034  6.564286       2.294962  264.5203 42.23811 296.4448 56.76964 -31.92453      70.75909 
1 1 1 1  5  20 o 607.2596 27.65995 26.31003       2.370848  28.44981       3.498750  24.49328       3.223864  628.8968 39.51063 583.4106 39.27540 45.48621       55.71038 
1 1 1 1  5  22 o 153.1723 57.84903 1.240877       1.714078  2.346664       2.663323  0.4590003      2.239531  198.2298 72.63312 152.3136 63.22477 45.91621       96.29611 
1 1 1 1  5  24 o 900.6370 30.65461 57.71816       3.901503  67.16875       6.543199  52.50449       4.859959  967.8975 47.91740 857.2088 40.17316 110.6887       62.52967 
1 1 1 1  5  26 o 1613.890 26.56404 185.1801       6.067191  187.6296       7.681424  181.1174       9.892745  1622.282 33.45765 1588.954 44.03568 33.32837       55.30421 
1 1 1 1  5  28 o 1043.904 26.80567 77.64634       3.956830  76.57821       4.947372  79.54238       6.591558  1034.576 33.83583 1050.282 44.44728 -15.70618      55.86075 
1 1 1 1  5  30 o 386.3730 50.01706 11.03924       2.670808  9.993833       3.422586  12.66712       4.270930  360.3518 69.63335 403.3263 77.64220 -42.97449      104.2934 
1 1 1 1  5  32 o 653.8739 35.95113 31.08808       3.313995  33.59264       4.264333  27.26878       5.265956  674.7860 44.91010 595.6780 63.44128 79.10797       77.72846 
1 1 1 1  5  34 o 314.0235 69.24634 8.110443       2.994493  10.08951       4.009280  5.613552       4.503356  340.9054 83.72248 256.8575 94.39249 84.04788       126.1721 
1 1 1 1  5  36 o 686.8757 36.50115 35.22028       3.535431  31.58820       4.315038  42.63799       6.166539  638.3065 48.12223 723.8839 60.75396 -85.57733      77.50349 
1 1 1 1  5  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  5  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  6  1  o 725.1107 13.52181 37.21749       1.387583  38.81588       2.006316  35.75196       1.921131  740.1422 19.17036 710.3122 19.12861 29.82996       27.08147 
1 1 1 1  6  3  o 719.1171 13.18113 36.60413       1.341443  35.28607       1.857185  38.04189       1.939676  705.6923 18.61226 732.7444 18.72030 -27.05206      26.39822 
1 1 1 1  6  5  f 1258.371 14.34595 112.0918       2.554806  109.9016       4.399394  113.2062       3.138177  1245.531 24.95849 1264.490 17.53647 -18.95886      30.50334 
1 1 1 1  6  7  o 2078.247 21.25303 305.8795       6.250834  309.4638       7.735615  299.1357       10.61079  2089.936 26.15424 2053.522 36.51141 36.41333       44.91244 
1 1 1 1  6  9  o 2142.894 22.34087 325.2422       6.775177  324.2507       8.282748  327.2473       11.77805  2139.114 27.36029 2147.426 38.75569 -8.312012      47.44038 
1 1 1 1  6  11 o 794.4728 14.91666 44.68509       1.677144  44.29031       2.047477  45.49014       2.923830  790.8570 18.29369 800.7871 25.83354 -9.930115      31.65487 
1 1 1 1  6  13 o 485.4672 17.50761 16.71296       1.200866  16.23988       1.480363  17.62333       2.053561  478.2373 21.93121 497.5896 29.29151 -19.35233      36.59195 
1 1 1 1  6  15 o 160.9267 41.31403 1.916040       0.9456475 2.555990       1.205234  0.8910844      1.525286  185.5804 46.09759 139.5481 54.09957 46.03226       71.07567 
1 1 1 1  6  17 o 590.3725 20.08681 24.75768       1.675807  24.71531       2.068933  24.83851       2.857550  589.2661 24.86522 589.1620 34.42192 0.1041260      42.46349 
1 1 1 1  6  19 o 205.5719 44.56265 3.153000       1.258982  3.863458       1.575041  1.895796       2.095199  227.0154 50.34472 176.5296 64.46344 50.48586       81.79319 
1 1 1 1  6  21 o 211.7108 54.24076 3.354664       1.632282  3.479110       2.496508  3.261741       2.157264  220.1562 70.69164 211.6346 65.41879 8.521667       96.31680 
1 1 1 1  6  23 o 1551.143 41.55740 171.7659       9.114408  171.7659       9.114408  0.000000       0.000000  1551.143 41.55740 ?        ?        ?              ?        
1 1 1 1  6  25 o 1914.476 45.14700 262.4321       12.23203  0.000000       0.000000  262.4321       12.23203  ?        ?        1914.476 45.14700 ?              ?        
1 1 1 1  6  27 o 478.5923 35.52334 16.46119       2.388865  14.63751       3.036867  19.42122       3.869011  448.0414 48.67609 515.2451 53.85429 -67.20370      72.59233 
1 1 1 1  6  29 o 1146.510 34.54796 94.25256       5.599178  85.03300       8.219425  102.2353       7.648259  1078.713 54.01320 1188.397 45.56029 -109.6842      70.66234 
1 1 1 1  6  31 o 973.7408 37.70663 68.68259       5.186319  62.76490       7.562156  73.93787       7.126355  915.8746 58.65139 1001.313 50.45212 -85.43842      77.36538 
1 1 1 1  6  33 f 454.3141 48.21234 15.56090       3.052538  14.02829       3.792302  18.38124       5.144413  420.3758 65.90988 470.9635 80.04607 -50.58771      103.6894 
1 1 1 1  6  35 o 544.0154 43.35471 22.35451       3.310258  21.10909       4.129203  24.59448       5.537708  516.6003 57.45023 539.8489 74.46458 -23.24860      94.05054 
1 1 1 1  6  37 o 264.6506 69.18262 6.323400       2.619704  3.956280       3.258887  10.64681       4.404253  208.9855 79.57162 318.1208 92.38567 -109.1354      121.9293 
1 1 1 1  6  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  7  0  o 1269.683 25.96272 114.2879       4.660746  114.2879       4.660746  114.2879       4.660746  1269.683 25.96272 1269.683 25.96272 0.000000       0.000000 
1 1 1 1  7  2  o 2009.077 24.89377 285.9501       7.077945  286.2974       10.01134  285.6030       10.00811  2009.124 35.20996 2006.682 35.24145 2.442261       49.81667 
1 1 1 1  7  4  o 1867.551 18.88013 246.9598       4.989961  245.0192       8.679969  247.9177       6.098437  1858.918 32.99424 1870.863 23.03333 -11.94446      40.23872 
1 1 1 1  7  6  o 2278.479 19.53462 367.6142       6.298975  368.2564       8.914785  366.9739       8.901420  2279.649 27.63269 2275.675 27.63944 3.973877       39.08330 
1 1 1 1  7  8  o 1005.228 13.62949 71.52760       1.938938  71.50655       2.358873  71.57147       3.404505  1004.994 16.58522 1005.164 23.93301 -0.1694336     29.11802 
1 1 1 1  7  10 f 1439.953 17.17425 146.8137       3.499822  148.5002       4.323122  143.6063       5.961825  1447.963 21.09698 1423.234 29.59941 24.72864       36.34841 
1 1 1 1  7  12 o 997.0026 15.58127 70.38306       2.198461  68.62321       2.659243  74.18307       3.907631  984.2971 19.09027 1022.533 27.02697 -38.23578      33.08921 
1 1 1 1  7  14 o 407.1664 19.74849 11.77607       1.134562  11.05789       1.372398  13.32656       2.016490  394.0794 24.73274 431.7940 33.25493 -37.71457      41.44393 
1 1 1 1  7  16 o 1036.686 18.08725 76.19705       2.653624  74.25655       3.205589  80.42219       4.730119  1022.898 22.14397 1062.463 31.49330 -39.56451      38.49913 
1 1 1 1  7  18 o 236.7316 35.92076 4.095043       1.165694  3.738552       1.438754  4.776196       1.988768  223.8224 46.92395 251.6779 57.14595 -27.85545      73.94266 
1 1 1 1  7  20 o 665.6438 21.58133 31.49684       2.030325  30.90202       2.500246  32.64854       3.479039  658.4877 26.88621 674.8641 36.56353 -16.37640      45.38458 
1 1 1 1  7  22 o 1060.067 26.81872 79.85995       4.020149  74.80124       5.476872  85.76957       5.919601  1023.716 37.86889 1096.213 38.21576 -72.49707      53.80053 
1 1 1 1  7  24 o 1321.669 40.66560 124.7568       7.597188  124.7568       7.597188  0.000000       0.000000  1321.669 40.66560 ?        ?        ?              ?        
1 1 1 1  7  26 f 974.2324 28.99252 67.64321       3.992867  65.97443       5.616434  69.34853       5.677596  958.5472 41.50091 982.9988 40.90172 -24.45166      58.26900 
1 1 1 1  7  28 o 758.8479 33.73282 41.26251       3.613602  41.96215       5.168230  40.59332       5.054479  760.3436 48.27930 747.8976 48.00805 12.44598       68.08571 
1 1 1 1  7  30 o 190.5325 69.98722 2.310941       2.475256  0.4975041      3.041476  5.867871       4.259622  171.3639 72.56306 275.6631 92.54647 -104.2992      117.6021 
1 1 1 1  7  32 f 391.9850 52.73999 11.67868       2.851532  11.48321       3.629938  11.99372       4.608265  379.0681 70.25101 375.8594 88.16696 3.208649       112.7325 
1 1 1 1  7  34 o 300.8016 65.85100 7.421056       2.725331  2.807581       3.313793  17.06320       4.790690  202.6501 79.40281 449.1800 78.20252 -246.5299      111.4470 
1 1 1 1  7  36 o 301.0545 62.86298 7.685582       2.591718  9.040160       3.274070  5.412343       4.241392  316.9217 74.29823 236.7428 90.62151 80.17888       117.1857 
1 1 1 1  7  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  8  1  o 2707.427 32.65126 519.7377       12.51055  519.2520       17.58612  520.2352       17.80103  2703.474 45.96508 2705.909 46.48491 -2.434814      65.37305 
1 1 1 1  8  3  o 1500.982 15.97141 159.4968       3.392648  156.3789       5.888870  161.0457       4.150683  1485.490 28.01188 1508.076 19.44807 -22.58557      34.10122 
1 1 1 1  8  5  o 1352.776 14.82187 129.5459       2.837584  128.0189       4.994320  130.2739       3.448204  1344.178 26.25426 1356.438 17.96276 -12.26050      31.81111 
1 1 1 1  8  7  o 1255.369 12.58484 111.5491       2.235830  112.0575       3.161943  111.0408       3.161939  1258.034 17.75995 1252.310 17.84110 5.723877       25.17381 
1 1 1 1  8  9  o 1344.482 13.94501 127.9629       2.653344  126.5696       3.671158  129.4868       3.839277  1336.877 19.40402 1352.158 20.06330 -15.28027      27.91150 
1 1 1 1  8  11 f 1049.270 15.16723 77.95202       2.252233  76.23077       2.714770  81.75244       4.033908  1037.468 18.49007 1073.872 26.54322 -36.40430      32.34850 
1 1 1 1  8  13 o 1214.298 17.08107 104.4465       2.935351  109.1790       3.739974  96.85478       4.736919  1241.144 21.29250 1168.229 28.65157 72.91528       35.69710 
1 1 1 1  8  15 o 172.2051 37.89309 2.196494       0.8983696 2.240052       1.105851  2.111956       1.540598  173.7281 44.71640 173.2117 55.52393 0.5163574      71.29140 
1 1 1 1  8  17 o 350.5041 24.94962 8.778561       1.229499  9.200173       1.520950  7.983500       2.088614  358.0582 30.29939 330.2064 45.93644 27.85178       55.02917 
1 1 1 1  8  19 o 626.3552 20.95108 27.89312       1.854536  28.59641       2.300930  26.58917       3.133069  633.4547 25.72006 608.5569 36.54726 24.89783       44.69030 
1 1 1 1  8  21 f 1201.422 21.16636 102.3992       3.598832  101.1233       4.414919  104.9260       6.212951  1193.109 26.14707 1212.624 36.24429 -19.51563      44.69136 
1 1 1 1  8  23 o 590.8707 29.30267 24.86676       2.442656  24.81241       3.460420  24.92074       3.448486  588.2368 41.84092 589.5706 41.59775 -1.333801      59.00030 
1 1 1 1  8  25 o 921.6318 41.69685 60.92330       5.424431  0.000000       0.000000  60.92330       5.424431  ?        ?        921.6318 41.69685 ?              ?        
1 1 1 1  8  27 o 543.5925 39.26189 21.29780       3.000048  18.35079       3.831339  25.96844       4.823340  499.8612 55.07190 594.4807 58.07075 -94.61945      80.03203 
1 1 1 1  8  29 o 315.5471 63.57908 7.606817       2.740982  8.621721       4.096305  6.783986       3.688376  329.0361 86.75021 293.5046 84.33666 35.53146       120.9887 
1 1 1 1  8  31 o 649.6900 35.06579 30.61711       3.212160  33.27924       4.072306  26.23328       5.225800  673.3636 42.95776 584.6672 64.21297 88.69641       77.25720 
1 1 1 1  8  33 o 754.1380 34.89082 41.60798       3.713670  36.90116       4.510065  51.51941       6.544663  701.9674 45.64652 817.7527 56.90673 -115.7853      72.95191 
1 1 1 1  8  35 o 419.6848 50.15944 13.74891       2.920253  15.65763       3.772122  10.89374       4.613490  437.3211 62.74358 334.4104 93.73567 102.9106       112.7969 
1 1 1 1  8  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  8  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  9  0  o 1312.184 27.65040 122.0889       5.129566  122.0889       5.129566  122.0889       5.129566  1312.184 27.65040 1312.184 27.65040 -0.000000      0.000000 
1 1 1 1  9  2  o 591.5854 14.19792 24.77386       1.188672  25.03004       1.700823  24.52927       1.661923  594.1722 20.25641 588.2065 19.99370 5.965759       28.46173 
1 1 1 1  9  4  o 940.6567 15.36826 62.63980       2.045858  63.20476       2.911367  62.08867       2.875526  944.6718 21.77691 936.2970 21.70121 8.374756       30.74372 
1 1 1 1  9  6  o 1386.166 13.09096 136.0094       2.568067  137.0692       3.643109  134.9626       3.620586  1391.318 18.50231 1380.583 18.53090 10.73462       26.18644 
1 1 1 1  9  8  o 324.8825 11.59756 7.480396       0.5323725 7.774733       0.7592014 7.195650       0.7467301 330.9774 16.25811 318.3584 16.63169 12.61893       23.25809 
1 1 1 1  9  10 o 415.9634 14.27094 12.26428       0.8388489 12.89071       1.028324  11.01833       1.450257  426.3145 17.07891 393.3845 26.19933 32.93002       31.27450 
1 1 1 1  9  12 o 412.9468 16.47707 12.09690       0.9609947 12.65774       1.187683  11.03355       1.635391  422.1859 19.93449 393.1795 29.60831 29.00641       35.69364 
1 1 1 1  9  14 f 316.4419 20.80595 7.131789       0.9265850 6.378582       1.110065  8.862320       1.682600  298.5353 26.55111 351.2040 34.28962 -52.66867      43.36750 
1 1 1 1  9  16 o 238.6893 31.81738 4.131312       1.048029  5.402735       1.324312  2.000695       1.714345  272.9104 35.10048 172.2577 58.70714 100.6527       68.40009 
1 1 1 1  9  18 o 1192.983 19.82124 101.0455       3.346454  101.2934       4.148102  100.5834       5.663301  1193.375 24.56137 1186.008 33.77575 7.367554       41.76197 
1 1 1 1  9  20 o 394.9006 27.11976 11.13931       1.506429  11.22594       1.788834  10.92808       2.793430  395.6815 32.22386 386.1945 52.46629 9.487000       61.57182 
1 1 1 1  9  22 o 822.1418 21.51923 47.96873       2.501611  46.96628       3.090317  49.87439       4.260816  812.8273 26.90195 836.1291 36.09306 -23.30182      45.01582 
1 1 1 1  9  24 o 888.3696 38.34523 56.43713       4.809512  56.43713       4.809512  0.000000       0.000000  888.3696 38.34523 ?        ?        ?              ?        
1 1 1 1  9  26 o 374.8751 68.02226 10.60980       3.475891  0.000000       0.000000  10.60980       3.475891  ?        ?        374.8751 68.02226 ?              ?        
1 1 1 1  9  28 o 386.3220 49.33697 10.99074       2.635905  6.273970       3.425663  17.83654       4.127003  283.9777 81.17592 489.3055 60.91371 -205.3278      101.4890 
1 1 1 1  9  30 o 176.6083 71.25778 1.342060       2.745590  0.9336720      3.695599  1.845156       4.101793  190.3534 80.26385 209.6594 86.15176 -19.30602      117.7472 
1 1 1 1  9  32 o 437.5305 55.01006 14.69546       3.331090  11.04771       4.533750  18.97469       4.910520  355.9466 89.97200 483.7360 74.08517 -127.7894      116.5486 
1 1 1 1  9  34 o 164.9086 68.11517 1.261015       2.581707  1.352702       3.288939  1.113825       4.167147  178.8466 75.58131 189.6485 82.65508 -10.80183      112.0018 
1 1 1 1  9  36 f 253.8065 75.40020 6.060127       2.905473  3.932373       3.917377  8.661783       4.331712  210.5165 85.05296 283.9168 93.26508 -73.40034      126.2235 
1 1 1 1  9  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  10 1  o 880.9189 22.85620 55.00447       2.847035  55.00447       2.847035  0.000000       0.000000  880.9189 22.85620 ?        ?        ?              ?        
1 1 1 1  10 3  o 2681.525 26.27580 509.5052       9.971437  512.1473       17.35348  508.2029       12.18363  2684.757 45.67323 2677.184 32.15723 7.572754       55.85814 
1 1 1 1  10 5  o 2265.081 22.48415 363.4269       7.207423  386.4905       13.38663  354.0121       8.552912  2333.070 40.54373 2235.021 27.04037 98.04834       48.73372 
1 1 1 1  10 7  f 2234.420 19.26376 353.5815       6.091522  347.1039       8.448334  360.5957       8.791326  2212.953 26.97609 2255.472 27.54211 -42.51855      38.55227 
1 1 1 1  10 9  o 1162.996 12.62933 95.74858       2.078637  96.51234       2.938994  94.98415       2.940279  1167.380 17.78962 1158.093 17.94012 9.287476       25.26497 
1 1 1 1  10 11 o 658.9149 12.13080 30.73745       1.131198  30.54193       1.586753  30.93951       1.613083  656.4305 17.09505 660.6808 17.26703 -4.250366      24.29796 
1 1 1 1  10 13 f 471.1534 16.32663 15.74756       1.086981  17.89228       1.381243  12.25860       1.761702  501.9965 19.47936 414.1839 30.26407 87.81262       35.99110 
1 1 1 1  10 15 o 340.2085 21.79416 8.251060       1.043795  7.937888       1.278351  8.877496       1.807993  332.9374 27.37265 350.6040 36.99562 -17.66660      46.02106 
1 1 1 1  10 17 o 330.0795 25.51906 7.798182       1.182822  7.819184       1.443418  7.755250       2.063769  329.5830 31.32226 325.0357 46.16192 4.547302       55.78536 
1 1 1 1  10 19 o 384.6520 24.48503 10.55765       1.325953  11.69322       1.646193  8.460032       2.237359  404.2473 28.96690 339.7664 47.85423 64.48090       55.93843 
1 1 1 1  10 21 o 785.6945 20.79665 43.80929       2.310388  41.27597       2.787004  49.37531       4.131087  762.0051 25.88157 831.9575 35.16609 -69.95239      43.66359 
1 1 1 1  10 23 o 842.6973 22.35878 50.42126       2.664132  48.64975       3.146244  54.90979       5.008085  827.1149 26.91445 876.1010 40.50181 -48.98602      48.62904 
1 1 1 1  10 25 o 425.0971 53.32379 13.26118       3.137565  13.26118       3.137565  0.000000       0.000000  425.0971 53.32379 ?        ?        ?              ?        
1 1 1 1  10 27 o 474.7423 39.44101 16.29582       2.625967  19.37837       3.691582  13.13834       3.736177  514.3702 51.40036 417.9417 65.30244 96.42847       83.10479 
1 1 1 1  10 29 o 557.0460 40.60261 22.55740       3.178867  21.27077       4.325766  24.06797       4.687141  533.4323 58.24659 567.2368 59.26132 -33.80450      83.09373 
1 1 1 1  10 31 o 362.8003 60.89289 10.25659       3.015806  7.345936       4.225007  13.28010       4.306139  292.8337 91.71610 402.7998 78.36180 -109.9661      120.6334 
1 1 1 1  10 33 o 378.5235 63.90494 11.55376       3.301560  7.919403       4.648619  15.25292       4.689878  291.1873 96.65746 420.8207 81.69540 -129.6334      126.5575 
1 1 1 1  10 35 o 350.3929 58.09399 10.08988       2.779906  8.093572       3.527798  13.36011       4.515217  292.2850 81.98178 373.5651 87.02942 -81.28003      119.5622 
1 1 1 1  10 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  10 39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  11 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  11 2  o 365.4561 17.48472 9.478395       0.9016795 8.296010       1.225902  10.87198       1.330893  341.2134 25.57295 390.9883 24.17064 -49.77490      35.18800 
1 1 1 1  11 4  o 1308.968 14.94277 121.3010       2.768088  121.6469       4.930262  121.1418       3.345074  1310.125 26.59117 1307.958 18.07142 2.167603       32.15068 
1 1 1 1  11 6  o 1682.614 15.20395 200.4482       3.620436  198.4937       5.075567  202.4727       5.165763  1673.930 21.42533 1690.610 21.59093 -16.67981      30.41731 
1 1 1 1  11 8  f 522.2774 9.995288 19.30697       0.7387820 19.01354       1.026050  19.62286       1.064608  518.0344 14.00841 526.2613 14.30776 -8.226868      20.02367 
1 1 1 1  11 10 o 1211.467 13.19457 103.9153       2.262177  103.4743       3.177605  104.3685       3.221244  1208.530 18.57902 1213.727 18.75353 -5.196899      26.39838 
1 1 1 1  11 12 o 955.0532 12.98886 64.59698       1.755571  64.74130       2.476631  64.45124       2.488920  955.7208 18.31094 953.5657 18.44338 2.155029       25.98939 
1 1 1 1  11 14 o 645.6379 15.82820 29.54851       1.446240  29.64480       1.791487  29.36833       2.450582  646.0884 19.61576 642.0213 27.03166 4.067139       33.39894 
1 1 1 1  11 16 o 286.6051 24.89077 5.886769       0.9995817 6.897184       1.263355  4.195418       1.634527  309.7311 29.16506 236.6276 50.35740 73.10352       58.19337 
1 1 1 1  11 18 o 732.6210 18.67720 38.11017       1.934892  36.39219       2.362509  41.61021       3.372097  715.2073 23.37251 763.2257 31.28592 -48.01837      39.05230 
1 1 1 1  11 20 o 764.2310 19.33564 41.43913       2.089556  44.61127       2.650457  36.22964       3.396582  792.4390 23.66039 712.5190 33.78036 79.91992       41.24229 
1 1 1 1  11 22 o 968.6312 20.85458 66.53889       2.858773  68.00424       3.538937  63.78679       4.849908  978.3583 25.58161 945.5682 36.31020 32.79010       44.41677 
1 1 1 1  11 24 o 661.3037 24.16495 31.11800       2.257750  31.45212       2.788764  30.48243       3.846260  663.9016 29.75730 650.8647 41.98079 13.03680       51.45759 
1 1 1 1  11 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  11 28 o 645.1255 35.46174 29.98563       3.225153  29.40172       4.596929  30.55166       4.526010  632.4472 51.81367 645.6207 49.92327 -13.17346      71.95130 
1 1 1 1  11 30 o 189.9207 72.63696 2.209314       2.723435  0.1946807      3.727671  4.515848       3.988591  179.8584 78.28470 245.0162 89.02248 -65.15781      118.5474 
1 1 1 1  11 32 o 395.6541 62.23082 12.43291       3.369569  9.369337       4.618917  15.91813       4.926524  319.9336 95.07365 430.9656 83.79364 -111.0321      126.7295 
1 1 1 1  11 34 o 196.2371 74.09017 2.989474       2.811134  5.984928       3.920523  -0.1802391     4.032949  252.5316 88.64481 171.3521 77.54386 81.17949       117.7750 
1 1 1 1  11 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  11 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  12 1  o 693.0634 23.30060 34.07066       2.282139  34.07066       2.282139  0.000000       0.000000  693.0634 23.30060 ?        ?        ?              ?        
1 1 1 1  12 3  o 845.6058 16.35730 50.63007       1.957489  52.41532       2.858402  49.05342       2.686229  859.7663 23.51425 831.7657 22.84197 28.00061       32.78225 
1 1 1 1  12 5  o 689.5000 11.59527 33.65212       1.131449  33.08665       2.082649  33.88890       1.347677  683.0450 21.57206 691.8713 13.76388 -8.826233      25.58902 
1 1 1 1  12 7  o 676.6530 9.862323 32.40776       0.9444197 32.45810       1.325297  32.35582       1.346170  677.0827 13.83094 676.0083 14.07110 1.074402       19.73045 
1 1 1 1  12 9  o 864.8375 11.10565 52.94912       1.359247  54.08047       1.934214  51.84530       1.910535  873.8303 15.64075 855.5750 15.77892 18.25537       22.21727 
1 1 1 1  12 11 o 331.6369 14.44810 7.805530       0.6764721 6.451456       0.9349121 9.293464       0.9800344 300.7646 22.11937 361.5533 19.22263 -60.78864      29.30488 
1 1 1 1  12 13 o 510.8188 13.80595 18.50232       0.9971362 18.83937       1.405418  18.16066       1.414957  514.9458 19.31946 505.5181 19.81660 9.427734       27.67560 
1 1 1 1  12 15 f 849.4111 14.06746 51.14219       1.691038  51.72844       2.404269  50.56823       2.378911  853.5245 19.90432 843.8964 19.91908 9.628113       28.15940 
1 1 1 1  12 17 o 650.9119 17.50139 30.07966       1.610721  29.47845       1.982088  31.24870       2.763917  643.7827 21.78662 661.4375 29.60180 -17.65485      36.75491 
1 1 1 1  12 19 o 296.8449 28.10811 6.319661       1.166747  5.723298       1.459205  7.376753       1.942752  280.7779 37.67234 318.0746 44.36416 -37.29669      58.20124 
1 1 1 1  12 21 o 840.1310 20.19577 50.04789       2.401193  50.49228       2.969081  49.20773       4.082439  843.0322 24.91350 830.6389 34.80576 12.39331       42.80331 
1 1 1 1  12 23 o 247.9008 43.14049 4.525562       1.458558  4.890636       1.831806  3.893168       2.410919  256.0883 52.31383 229.4110 68.81151 26.67725       86.43935 
1 1 1 1  12 25 f 742.7368 30.98400 39.43842       3.249656  45.91066       4.504006  32.41088       4.693250  798.8287 39.96752 667.5765 50.04087 131.2522       64.04289 
1 1 1 1  12 27 o 599.1024 48.19182 26.22039       4.051516  0.000000       0.000000  26.22039       4.051516  ?        ?        599.1024 48.19182 ?              ?        
1 1 1 1  12 29 o 861.3395 33.94875 53.58057       4.130157  57.68636       6.123082  50.15308       5.594491  884.1457 49.12894 824.9171 48.13058 59.22864       68.77650 
1 1 1 1  12 31 o 823.0068 36.54609 49.63166       4.245997  52.41518       6.137615  47.07677       5.880150  830.9619 52.45911 786.6922 53.12738 44.26971       74.66242 
1 1 1 1  12 33 o 246.8522 77.94263 5.347978       3.045335  1.919967       4.249196  8.968228       4.366716  198.7095 85.00769 306.6898 92.74504 -107.9803      125.8092 
1 1 1 1  12 35 o 160.9009 68.83459 1.227226       2.786246  1.786261       4.025971  0.7133436      3.859963  183.5291 80.58335 170.4540 76.61290 13.07504       111.1900 
1 1 1 1  12 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  13 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  13 2  o 599.2922 23.45341 25.49106       1.985295  25.49106       1.985295  0.000000       0.000000  599.2922 23.45341 ?        ?        ?              ?        
1 1 1 1  13 4  o 890.4319 12.93788 56.13146       1.630361  55.17968       2.900462  56.57109       1.971257  882.0588 23.25567 893.8126 15.58393 -11.75372      27.99438 
1 1 1 1  13 6  o 1053.248 11.46164 78.53132       1.708430  78.63271       2.417276  78.43013       2.414896  1053.696 16.21031 1052.337 16.21525 1.358521       22.92833 
1 1 1 1  13 8  o 318.0944 11.92625 7.174004       0.5359324 6.924851       0.7349580 7.456926       0.7831843 312.2101 16.69467 323.9823 17.14238 -11.77219      23.92850 
1 1 1 1  13 10 f 527.9886 11.25922 19.73951       0.8413038 20.13736       1.171468  19.31577       1.208985  532.8914 15.55023 521.8348 16.39106 11.05664       22.59373 
1 1 1 1  13 12 o 930.5249 12.63966 61.34090       1.664497  60.95253       2.322210  61.75126       2.387037  927.0576 17.70007 933.0662 18.07702 -6.008667      25.29963 
1 1 1 1  13 14 o 1121.130 14.23852 89.10185       2.259127  88.09324       3.191427  90.11485       3.198362  1113.739 20.24797 1126.484 20.06240 -12.74438      28.50404 
1 1 1 1  13 16 o 116.5104 39.34710 0.9090053      0.7699380 0.8271087      1.130935  0.9797544      1.051151  124.6126 47.00561 126.9414 45.75857 -2.328789      65.60011 
1 1 1 1  13 18 o 450.1964 20.81177 14.41128       1.322374  13.80054       1.620915  15.62671       2.286629  439.9053 26.15449 466.8727 34.85971 -26.96744      43.58046 
1 1 1 1  13 20 f 491.4770 21.93055 17.16837       1.521519  16.05892       1.864547  19.37961       2.632318  474.6315 27.88136 520.3827 35.96462 -45.75116      45.50631 
1 1 1 1  13 22 o 343.9806 30.19802 8.485236       1.455146  8.956491       1.855584  7.732556       2.345080  352.1903 37.82105 323.6772 53.02952 28.51309       65.13495 
1 1 1 1  13 24 f 912.9908 22.35741 59.24140       2.888735  60.59045       3.580221  56.72474       4.889999  921.9007 27.47202 888.6168 38.97915 33.28387       47.68738 
1 1 1 1  13 26 f 716.6655 44.04921 37.23511       4.446015  37.23511       4.446015  0.000000       0.000000  716.6655 44.04921 ?        ?        ?              ?        
1 1 1 1  13 28 o 339.3117 82.28345 9.287372       3.910000  0.000000       0.000000  9.287372       3.910000  ?        ?        339.3117 82.28345 ?              ?        
1 1 1 1  13 30 o 361.0913 57.58092 10.12626       2.843740  5.939674       3.815482  15.35822       4.265324  265.3201 87.54954 436.7618 71.47617 -171.4417      113.0211 
1 1 1 1  13 32 o 187.3023 72.76906 2.372400       2.764217  -1.882269      3.723496  7.596043       4.125767  153.0201 71.14997 286.4294 90.75725 -133.4093      115.3221 
1 1 1 1  13 34 o 235.4911 74.07288 5.091399       2.752919  5.144674       3.919240  5.039516       3.867703  230.9471 87.41783 229.3388 86.83386 1.608368       123.2152 
1 1 1 1  13 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  13 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  14 1  o 332.7306 32.39888 7.934405       1.506308  7.934405       1.506308  0.000000       0.000000  332.7306 32.39888 ?        ?        ?              ?        
1 1 1 1  14 3  o 900.7653 17.29084 57.47290       2.204183  58.05432       3.117035  56.89138       3.117335  904.5219 24.37242 895.3838 24.62448 9.138123       34.64650 
1 1 1 1  14 5  o 683.7541 12.43420 33.10160       1.203199  31.97518       2.187497  33.59021       1.440712  671.1375 23.06546 688.6972 14.78186 -17.55975      27.39560 
1 1 1 1  14 7  o 412.1703 10.72139 12.03564       0.6248541 11.52217       0.8762440 12.56692       0.8913026 403.0111 15.39172 420.9380 14.98583 -17.92688      21.48209 
1 1 1 1  14 9  f 101.9373 30.18126 0.7493097      0.4661607 0.6854280      0.6422791 0.8204196      0.6776431 103.4895 35.90881 110.4964 36.90990 -7.006889      51.49548 
1 1 1 1  14 11 o 459.5057 12.41846 14.96911       0.8068265 14.89259       1.139112  15.04615       1.142948  457.8893 17.61151 460.2506 17.57969 -2.361328      24.88394 
1 1 1 1  14 13 o 870.6603 13.09485 53.72350       1.613500  55.25323       2.343509  52.34483       2.224786  882.2448 18.76972 858.7783 18.30574 23.46649       26.21836 
1 1 1 1  14 15 o 399.8638 16.66779 11.36193       0.9411452 10.09564       1.293085  12.78835       1.372415  375.9268 24.43792 423.4952 22.98519 -47.56848      33.54893 
1 1 1 1  14 17 o 652.0760 15.22083 30.13401       1.404611  28.54453       1.929499  31.92594       2.048697  633.7928 21.54315 670.3124 21.62466 -36.51959      30.52431 
1 1 1 1  14 19 f 738.5363 18.49178 38.68923       1.931206  39.62770       2.417690  37.03489       3.210001  746.9648 22.89781 720.8772 31.54108 26.08765       38.97626 
1 1 1 1  14 21 o 474.1610 23.85114 16.00440       1.595357  15.92535       1.968225  16.15582       2.724030  472.2256 29.60024 473.6655 41.04148 -1.439880      50.60215 
1 1 1 1  14 23 o 404.8927 29.58405 11.74811       1.683487  12.48566       2.113054  10.46639       2.785549  416.2033 36.23528 376.4483 53.81557 39.75497       64.87766 
1 1 1 1  14 25 o 752.1919 24.27849 40.32253       2.581077  43.30378       3.250044  35.23105       4.247288  778.2104 29.56398 697.5977 43.23410 80.61273       52.37572 
1 1 1 1  14 27 o 534.5314 53.32289 21.20216       3.979968  21.20216       3.979968  0.000000       0.000000  534.5314 53.32289 ?        ?        ?              ?        
1 1 1 1  14 29 o 265.1389 70.32819 5.699546       2.681843  12.27046       4.002559  0.3462602      3.612726  388.4822 75.52340 177.7841 77.22824 210.6981       108.0184 
1 1 1 1  14 31 o 473.7160 47.00817 17.05106       3.109928  19.89760       4.526510  14.50608       4.280037  496.4249 66.06919 415.2360 75.61884 81.18887       100.4159 
1 1 1 1  14 33 o 142.5791 64.14610 -0.3262702     2.713299  -0.9074214     3.884088  0.2276333      3.791941  160.3916 73.90359 169.4645 76.07040 -9.072845      106.0587 
1 1 1 1  14 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  14 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  15 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  15 2  o 630.2361 25.49418 28.22865       2.269168  28.22865       2.269168  0.000000       0.000000  630.2361 25.49418 ?        ?        ?              ?        
1 1 1 1  15 4  o 414.0573 14.61144 12.15853       0.8548540 14.38483       1.645800  11.33597       1.000389  449.4265 25.98691 399.5685 17.73541 49.85800       31.46211 
1 1 1 1  15 6  o 192.2356 22.34212 2.657133       0.5965135 1.274074       1.111710  3.216329       0.7068919 138.7861 47.27613 211.5157 24.04123 -72.72952      53.03784 
1 1 1 1  15 8  o 297.3169 13.13247 6.274337       0.5512050 6.556535       0.7721948 5.981168       0.7870610 303.5377 18.05767 289.7407 19.30472 13.79706       26.43391 
1 1 1 1  15 10 o 226.3573 17.96027 3.657707       0.5706301 3.382315       0.8089356 3.930469       0.8050640 216.3496 27.00686 233.8263 24.70155 -17.47670      36.59968 
1 1 1 1  15 12 f 137.2764 30.84543 1.397890       0.5845979 2.394937       0.8126516 0.3285416      0.8416010 180.3067 33.06545 98.36584 39.53486 81.94088       51.53959 
1 1 1 1  15 14 o 807.0797 13.03963 46.16370       1.489366  45.11658       2.056564  47.31858       2.159790  797.2808 18.22683 816.4411 18.69247 -19.16028      26.10797 
1 1 1 1  15 16 o 418.4448 16.95693 12.43464       1.002085  13.26012       1.407205  11.58537       1.427334  431.4845 23.12930 402.9808 25.15315 28.50366       34.17083 
1 1 1 1  15 18 o 100.3597 39.97112 0.3677635      0.8523198 0.1991876      1.206661  0.5356157      1.204068  111.2575 46.31454 119.4912 47.53539 -8.233635      66.36754 
1 1 1 1  15 20 o 838.7698 19.14104 49.89280       2.272104  49.16231       2.794377  51.31796       3.903113  831.7733 23.76324 848.2744 32.57338 -16.50110      40.32017 
1 1 1 1  15 22 o 852.4688 20.60223 51.60533       2.485493  50.21065       3.065469  54.28154       4.246396  839.6274 25.82899 870.8352 34.52441 -31.20782      43.11695 
1 1 1 1  15 24 o 758.2823 23.36194 40.95205       2.504040  46.06346       3.234346  33.30439       3.956219  803.0059 28.50608 678.9344 41.37130 124.0714       50.24123 
1 1 1 1  15 26 o 556.4404 29.17885 22.21480       2.289741  21.51779       2.835553  23.52112       3.881890  545.3543 36.95833 565.7235 48.96801 -20.36920      61.34969 
1 1 1 1  15 28 o 307.3777 62.09990 7.407312       2.608279  6.068650       3.990269  8.405992       3.446511  271.2490 89.53355 320.6386 76.93723 -49.38962      118.0491 
1 1 1 1  15 30 f 395.2383 53.66851 12.11242       2.924429  11.91788       3.989587  12.33835       4.299291  375.0671 77.71866 377.6704 82.73206 -2.603333      113.5112 
1 1 1 1  15 32 o 136.2170 61.66427 -0.6102953     2.552853  -0.9584578     3.639725  -0.2731759     3.581537  156.7503 71.97532 162.2335 73.27897 -5.483170      102.7144 
1 1 1 1  15 34 f 129.7983 60.44791 -1.129096      2.704307  -6.993281      3.552938  6.947303       4.169583  111.4641 55.60627 249.7412 90.97817 -138.2771      106.6259 
1 1 1 1  15 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  16 1  o 310.5236 35.69991 6.959897       1.540342  6.959897       1.540342  0.000000       0.000000  310.5236 35.69991 ?        ?        ?              ?        
1 1 1 1  16 3  f 280.3911 37.42400 5.704951       1.447978  5.704951       1.447978  0.000000       0.000000  280.3911 37.42400 ?        ?        ?              ?        
1 1 1 1  16 5  o 109.1398 34.85977 0.8309664      0.6076761 0.6235141      1.161675  0.9091183      0.7130094 120.1508 47.03192 115.2534 37.83762 4.897430       60.36296 
1 1 1 1  16 7  o 192.3175 18.71300 2.648780       0.5028771 2.751901       0.7031428 2.540808       0.7194903 194.9864 26.13900 186.8943 28.06899 8.092163       38.35512 
1 1 1 1  16 9  o 803.6006 11.12718 45.74479       1.265451  47.07077       1.814861  44.49010       1.765399  814.7220 15.74034 792.0726 15.74918 22.64935       22.26645 
1 1 1 1  16 11 o 249.8312 17.62636 4.451554       0.6192019 6.019908       0.9010602 3.048225       0.8523372 290.1658 22.10904 204.4893 30.37374 85.67650       37.56825 
1 1 1 1  16 13 o 455.8416 13.96486 14.74355       0.8998241 15.46135       1.247270  13.96447       1.299419  466.2925 18.94030 442.8769 20.79027 23.41565       28.12420 
1 1 1 1  16 15 o 396.0983 16.28395 11.14103       0.9108683 9.992237       1.256220  12.41458       1.322672  374.2933 23.83949 417.5315 22.46703 -43.23819      32.75803 
1 1 1 1  16 17 o 475.4876 16.84472 16.04350       1.131712  15.86520       1.582670  16.23006       1.618911  472.1712 23.76124 477.5527 24.03145 -5.381500      33.79507 
1 1 1 1  16 19 o 112.5555 42.72596 0.6433106      0.9378303 -0.3463836     1.301572  1.711933       1.352477  103.8606 45.70333 157.8031 52.12704 -53.94250      69.32549 
1 1 1 1  16 21 o 172.1509 49.12243 2.192532       1.255532  4.027965       1.597836  -0.7697392     2.029903  231.8963 50.14955 125.4282 56.02750 106.4681       75.19347 
1 1 1 1  16 23 o 188.6510 51.99705 2.668612       1.432729  3.715580       1.820640  0.9656814      2.321966  221.3652 57.57933 162.0924 65.48415 59.27280       87.19836 
1 1 1 1  16 25 o 1001.409 23.16687 71.44707       3.283212  73.59420       4.145785  67.83522       5.377032  1014.019 28.91908 968.8405 39.29821 45.17889       48.79204 
1 1 1 1  16 27 o 160.5897 71.18843 -0.4877713     3.213859  -0.4877713     3.213859  0.000000       0.000000  160.5897 71.18843 ?        ?        ?              ?        
1 1 1 1  16 29 o 321.7983 61.12901 8.266780       2.682121  11.76921       4.109531  5.667809       3.540043  371.3530 80.52080 256.8412 84.30970 114.5118       116.5835 
1 1 1 1  16 31 o 258.2236 69.81138 5.741049       2.611748  2.790906       3.737666  8.555964       3.650999  202.4574 82.60495 306.3052 82.42409 -103.8478      116.6932 
1 1 1 1  16 33 o 227.3176 74.44066 4.912614       2.760478  8.303088       3.789632  1.079953       4.029183  282.4402 86.59899 175.0875 78.51846 107.3527       116.8954 
1 1 1 1  16 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  17 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  17 2  f 194.9722 50.42435 2.842191       1.401649  2.842191       1.401649  0.000000       0.000000  194.9722 50.42435 ?        ?        ?              ?        
1 1 1 1  17 4  o 428.7563 19.14424 13.07158       1.158702  14.21207       1.816879  12.28974       1.504320  445.7594 28.95760 414.8754 25.74830 30.88397       38.74942 
1 1 1 1  17 6  o 696.7942 13.40932 34.40886       1.322303  37.28135       2.540112  33.34107       1.548692  723.5183 24.84439 685.6768 15.95973 37.84149       29.52892 
1 1 1 1  17 8  o 496.9479 11.43118 17.49679       0.8039365 16.75340       1.129578  18.25987       1.144444  485.6722 16.45815 507.1163 15.96646 -21.44406      22.93030 
1 1 1 1  17 10 o 664.4335 11.37443 31.27892       1.069550  32.23391       1.523080  30.34984       1.502278  674.0796 15.96584 654.0555 16.22991 20.02411       22.76659 
1 1 1 1  17 12 o 299.0856 16.88850 6.366098       0.7119316 5.581616       0.9896445 7.207517       1.024929  278.9164 25.34839 317.5769 22.95975 -38.66055      34.20075 
1 1 1 1  17 14 o 1030.822 13.60240 75.28550       1.984352  75.20133       2.760328  75.37552       2.854644  1029.628 18.94352 1030.734 19.56976 -1.106201      27.23660 
1 1 1 1  17 16 o 753.2023 14.24466 40.18980       1.518391  41.14807       2.130688  39.20100       2.164365  761.4641 19.78877 743.1268 20.59999 18.33734       28.56493 
1 1 1 1  17 18 o 231.9565 29.37341 3.887537       0.9426426 2.588166       1.310107  5.282295       1.357343  186.5068 49.00653 269.7311 36.49341 -83.22430      61.10163 
1 1 1 1  17 20 o 351.9611 23.28189 8.843145       1.153148  9.576089       1.612123  8.075232       1.650135  365.0402 31.51427 334.2614 35.42139 30.77872       47.41122 
1 1 1 1  17 22 f 368.9240 29.78963 9.779662       1.542111  8.465840       1.909505  12.24350       2.614924  340.8040 40.37432 409.1704 45.95124 -68.36633      61.16864 
1 1 1 1  17 24 o 262.9749 46.36408 5.162373       1.662471  4.778788       2.095488  5.813868       2.730930  249.5005 60.07048 273.1678 70.24945 -23.66724      92.43078 
1 1 1 1  17 26 o 243.9402 53.98160 4.583055       1.814217  6.702702       2.306887  1.146903       2.937181  294.9959 57.32330 176.4823 72.75046 118.5135       92.62067 
1 1 1 1  17 28 o 202.0784 79.78070 2.624454       3.367582  2.624454       3.367582  0.000000       0.000000  202.0784 79.78070 ?        ?        ?              ?        
1 1 1 1  17 30 o 216.8204 70.73746 3.957657       2.493755  3.927522       3.556623  3.986800       3.497525  219.2775 83.21244 219.9773 82.73145 -0.6998138     117.3405 
1 1 1 1  17 32 o 144.0787 63.15955 0.4167424      2.464208  2.775636       3.643848  -1.571230      3.345117  192.6683 80.36563 141.2754 66.25954 51.39296       104.1583 
1 1 1 1  17 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  17 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  18 1  o 382.7760 33.58642 10.54955       1.800981  10.54955       1.800981  0.000000       0.000000  382.7760 33.58642 ?        ?        ?              ?        
1 1 1 1  18 3  o 302.2715 39.60913 6.665365       1.653658  6.665365       1.653658  0.000000       0.000000  302.2715 39.60913 ?        ?        ?              ?        
1 1 1 1  18 5  o 174.8777 31.47756 2.250075       0.7503883 2.721576       1.510999  2.095722       0.8645328 190.7349 53.70852 167.7285 37.37743 23.00638       65.43453 
1 1 1 1  18 7  o 376.6860 16.40238 10.08654       0.8722961 9.975934       1.646067  10.12973       1.028599  372.3182 31.53656 377.1579 19.33548 -4.839691      36.99210 
1 1 1 1  18 9  o 242.3327 17.68051 4.190494       0.6021826 3.739070       0.8485576 4.648482       0.8547053 227.4987 26.87437 254.4550 24.01901 -26.95631      36.04365 
1 1 1 1  18 11 o 494.8163 12.63059 17.36045       0.8837559 17.06432       1.241692  17.66446       1.258109  490.0673 17.93376 498.6303 17.85755 -8.563049      25.30833 
1 1 1 1  18 13 o 298.1819 17.89979 6.327645       0.7518738 5.090479       1.026182  7.761591       1.104783  266.1201 27.65013 329.7095 23.83792 -63.58942      36.50720 
1 1 1 1  18 15 o 566.8506 14.30130 22.77812       1.146349  22.00397       1.573492  23.65379       1.673489  556.6385 20.00684 577.1022 20.52307 -20.46375      28.66130 
1 1 1 1  18 17 o 265.4695 24.70106 5.048869       0.9173565 4.803769       1.268309  5.317766       1.328455  257.0970 35.83060 270.7988 35.51961 -13.70187      50.45270 
1 1 1 1  18 19 o 238.0776 30.98104 4.109764       1.019106  6.627568       1.472267  1.793603       1.412082  302.5132 35.03625 160.8473 53.26843 141.6659       63.75786 
1 1 1 1  18 21 o 278.5835 33.72956 5.634390       1.302750  6.219139       1.605810  4.508529       2.228189  291.4787 39.98089 242.9157 63.95067 48.56303       75.41989 
1 1 1 1  18 23 o 189.2233 56.17001 2.680686       1.612933  1.851168       2.103198  3.865191       2.513250  174.1197 64.41606 226.2420 70.71951 -52.12233      95.65917 
1 1 1 1  18 25 o 247.7100 51.61454 4.691569       1.750617  4.770966       2.146132  4.533692       3.026320  247.0705 61.59567 240.9745 77.87369 6.095947       99.28916 
1 1 1 1  18 27 o 210.8212 59.08693 3.536981       1.833277  2.663166       2.250506  5.260584       3.160744  189.7843 67.11530 250.4456 79.44711 -60.66122      104.0015 
1 1 1 1  18 29 o 205.5163 72.20156 3.424838       2.601313  7.544679       4.117193  0.6875017      3.356024  283.0052 90.77367 170.6479 74.27771 112.3573       117.2904 
1 1 1 1  18 31 o 358.8318 53.62720 10.45437       2.639884  5.502527       3.648915  15.89268       3.823952  237.2074 85.28734 431.9945 64.52270 -194.7871      106.9444 
1 1 1 1  18 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  18 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  19 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  19 2  o 269.6604 44.79644 5.382822       1.649588  5.382822       1.649588  0.000000       0.000000  269.6604 44.79644 ?        ?        ?              ?        
1 1 1 1  19 4  o 84.28780 37.26035 -0.2659680     0.8744863 -0.7922648E-01 1.281521  -0.4286969     1.196294  107.7115 46.39058 97.08663 43.21234 10.62492       63.39867 
1 1 1 1  19 6  o 144.6934 36.50185 1.559869       0.7472767 2.102183       1.460117  1.367409       0.8698275 170.6439 53.98137 137.1692 41.37434 33.47475       68.01341 
1 1 1 1  19 8  o 141.2521 36.55972 1.483334       0.7364357 3.263803       1.433460  0.8448973      0.8583750 208.2718 49.38740 116.4608 41.42355 91.81100       64.45949 
1 1 1 1  19 10 o 711.4247 11.84593 35.85403       1.192663  36.33057       1.686304  35.37706       1.687057  715.7432 16.64787 706.2664 16.87880 9.476868       23.70750 
1 1 1 1  19 12 o 703.6776 12.36633 35.07297       1.231500  34.57342       1.723035  35.59465       1.760787  698.3029 17.43535 708.5309 17.56014 -10.22803      24.74571 
1 1 1 1  19 14 f 582.4470 13.70416 24.03178       1.129610  24.57413       1.588071  23.47635       1.607120  588.3669 19.09754 574.9930 19.77939 13.37384       27.49437 
1 1 1 1  19 16 o 383.9402 18.17667 10.47721       0.9848336 8.312281       1.325687  13.14340       1.471178  340.7520 27.73001 429.4506 24.30573 -88.69864      36.87441 
1 1 1 1  19 18 o 301.4829 23.77076 6.503066       1.006005  5.407339       1.395913  7.687152       1.451104  272.3636 37.18511 326.6472 31.79240 -54.28363      48.92330 
1 1 1 1  19 20 o 282.2204 29.77811 5.750238       1.171429  4.447065       1.672053  7.006476       1.641667  243.2363 50.23772 310.0427 38.22314 -66.80646      63.12556 
1 1 1 1  19 22 o 402.5063 29.63064 11.65345       1.676018  11.93217       2.115311  11.18337       2.747138  405.4269 37.28457 388.0562 51.27617 17.37070       63.39862 
1 1 1 1  19 24 o 321.9048 38.99580 7.622412       1.740323  7.805810       2.137524  7.261787       2.997369  322.6679 48.29229 302.1281 71.26467 20.53989       86.08600 
1 1 1 1  19 26 o 183.3391 60.02510 2.564996       1.794902  2.054008       2.181973  3.634441       3.156629  175.4380 65.47612 218.1589 79.20567 -42.72092      102.7651 
1 1 1 1  19 28 o 152.0988 67.78951 -0.1996689     2.954350  -0.1996689     2.954350  0.000000       0.000000  152.0988 67.78951 ?        ?        ?              ?        
1 1 1 1  19 30 o 163.3791 67.11179 1.544232       2.488014  1.342654       3.818828  1.692901       3.279581  179.8084 78.72929 177.0280 75.17191 2.780380       108.8537 
1 1 1 1  19 32 o 170.7197 67.85136 2.360174       2.450989  5.788356       3.594681  -0.6182975     3.350619  229.9957 84.36458 145.2734 67.52947 84.72223       108.0630 
1 1 1 1  19 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  20 1  o 293.5431 48.73022 6.404440       1.953418  6.404440       1.953418  0.000000       0.000000  293.5431 48.73022 ?        ?        ?              ?        
1 1 1 1  20 3  o 508.7845 30.34103 18.55656       2.174738  18.55656       2.174738  0.000000       0.000000  508.7845 30.34103 ?        ?        ?              ?        
1 1 1 1  20 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  20 7  o 315.8988 20.97263 7.119226       0.9322975 6.909539       1.760592  7.200936       1.099035  307.5381 41.51098 317.2229 24.67483 -9.684784      48.29087 
1 1 1 1  20 9  o 190.7022 25.09875 2.629190       0.6609450 2.562609       0.9341395 2.695936       0.9352963 186.2126 36.75267 191.2599 35.87198 -5.047333      51.35716 
1 1 1 1  20 11 o 696.3369 12.39181 34.34431       1.221164  34.16075       1.724122  34.52909       1.729865  693.9088 17.57095 697.6459 17.53483 -3.737183      24.82355 
1 1 1 1  20 13 f 294.2679 19.21357 6.167232       0.7957730 5.755805       1.100829  6.617547       1.151679  283.1906 27.82658 303.9448 27.05673 -20.75412      38.81218 
1 1 1 1  20 15 o 496.0673 15.53900 17.46005       1.089551  15.71030       1.471927  19.58080       1.620477  469.8435 22.19950 524.6920 21.87117 -54.84842      31.16354 
1 1 1 1  20 17 o 161.6039 39.46576 1.948344       0.8946705 1.499142       1.232567  2.448573       1.300691  148.1845 49.78314 181.0384 49.40140 -32.85387      70.13457 
1 1 1 1  20 19 o 115.6748 43.56577 0.7195259      0.9706173 1.976483       1.374239  -0.5316705     1.371086  165.4998 52.37183 103.0279 46.03223 62.47195       69.72643 
1 1 1 1  20 21 o 97.75226 43.79335 -0.5136055     1.249982  -0.3856257     1.794823  -0.6341423     1.741851  121.8416 53.64048 116.0240 51.85832 5.817604       74.60957 
1 1 1 1  20 23 o 147.5217 55.86176 1.240665       1.600781  2.050742       2.023291  -0.1150112     2.617418  175.6980 63.46474 150.4927 65.54951 25.20528       91.23876 
1 1 1 1  20 25 o 398.2347 35.79523 11.66737       1.995861  10.12612       2.414944  14.98874       3.545097  365.3479 47.85627 438.8494 58.53995 -73.50153      75.61182 
1 1 1 1  20 27 o 304.2076 45.50865 7.117884       1.899115  6.824739       2.349515  7.670391       3.225564  290.1356 59.22745 296.2739 76.42699 -6.138245      96.69009 
1 1 1 1  20 29 o 210.8900 78.37854 3.888256       3.120314  3.888256       3.120314  0.000000       0.000000  210.8900 78.37854 ?        ?        ?              ?        
1 1 1 1  20 31 o 154.5030 65.71043 1.348256       2.512758  -2.405606      3.433312  5.678383       3.687436  132.7057 63.62511 227.4522 85.07166 -94.74655      106.2325 
1 1 1 1  20 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  21 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  21 2  o 166.3407 58.47663 1.803618       1.706528  1.803618       1.706528  0.000000       0.000000  166.3407 58.47663 ?        ?        ?              ?        
1 1 1 1  21 4  o 331.8846 25.42186 7.881757       1.184938  7.287398       1.753286  8.381493       1.607677  316.3644 40.05679 340.9066 33.76611 -24.54224      52.38985 
1 1 1 1  21 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  21 8  f 113.8046 41.31760 0.7640979      0.8589709 0.5361943      1.722000  0.8395896      0.9910767 137.3434 56.05713 120.7386 44.29631 16.60485       71.44624 
1 1 1 1  21 10 o 675.5460 12.64942 32.32500       1.209332  30.17384       1.644702  34.85691       1.784324  652.1131 17.83826 700.9113 18.00323 -48.79822      25.34403 
1 1 1 1  21 12 o 114.0141 36.95827 0.8984506      0.6813265 -0.4675800     0.9399996 2.410442       0.9889449 83.81765 37.72868 180.1794 39.84264 -96.36179      54.87157 
1 1 1 1  21 14 o 716.3663 13.45223 36.36470       1.363795  37.56975       1.933947  35.17265       1.923491  727.4036 18.80241 703.7297 19.33197 23.67395       26.96768 
1 1 1 1  21 16 o 239.3586 27.62253 4.137540       0.9185464 3.253846       1.258350  5.145489       1.343908  208.6798 43.99721 265.4786 36.75495 -56.79880      57.32958 
1 1 1 1  21 18 o 205.7707 37.02618 3.131866       1.038590  4.187027       1.443455  1.999239       1.495503  236.9053 44.69180 167.7039 54.78354 69.20139       70.70073 
1 1 1 1  21 20 o 356.6030 25.78096 9.125802       1.292296  9.710686       1.824087  8.536416       1.831097  365.6398 35.70554 341.8649 38.51709 23.77490       52.52097 
1 1 1 1  21 22 o 206.7858 49.95041 3.277972       1.445222  1.570496       2.028091  5.039580       2.059989  164.7177 62.75888 254.6930 58.39960 -89.97531      85.72742 
1 1 1 1  21 24 o 232.5370 54.05390 4.255395       1.744975  2.783791       2.142262  7.156895       3.008075  191.7103 65.61942 293.5777 72.76917 -101.8674      97.98602 
1 1 1 1  21 26 o 106.7167 49.14872 -1.006759      1.714985  -0.7423186     2.098804  -1.538089      2.975021  122.9388 55.75650 138.2382 64.04271 -15.29933      84.91323 
1 1 1 1  21 28 f 194.7359 60.13440 3.179464       1.823364  4.235578       2.214987  0.9593027      3.211502  220.8238 65.89070 167.1389 72.70663 53.68489       98.12156 
1 1 1 1  21 30 o 143.1045 58.81131 1.225984       1.911798  1.740861       2.363861  0.2523725      3.250595  159.0078 65.37672 152.1579 69.15820 6.849930       95.16812 
1 1 1 1  21 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  21 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  22 1  o 233.4729 57.07591 4.104338       1.869772  4.104338       1.869772  0.000000       0.000000  233.4729 57.07591 ?        ?        ?              ?        
1 1 1 1  22 3  o 259.8621 55.23134 5.060619       1.968520  5.060619       1.968520  0.000000       0.000000  259.8621 55.23134 ?        ?        ?              ?        
1 1 1 1  22 5  o 231.8103 36.65296 3.928727       1.162503  2.779295       1.708244  4.920222       1.586549  194.5071 57.82251 258.3011 45.03847 -63.79396      73.29330 
1 1 1 1  22 7  o 518.1664 17.23753 19.05686       1.262290  22.55392       2.416940  17.74522       1.480203  562.0435 30.50047 499.6211 20.98111 62.42233       37.02008 
1 1 1 1  22 9  o 402.7430 18.89519 11.52931       1.073956  8.909805       1.955353  12.66087       1.285151  350.8017 40.10610 421.8074 21.60075 -71.00571      45.55318 
1 1 1 1  22 11 o 449.8604 14.56022 14.35688       0.9257483 13.85506       1.295451  14.88060       1.323408  441.3238 20.80021 457.4342 20.49508 -16.11047      29.20098 
1 1 1 1  22 13 o 132.8607 38.41674 1.292144       0.7630743 1.185592       1.068521  1.403044       1.090103  134.3100 46.33003 142.3099 46.78877 -7.999924      65.84573 
1 1 1 1  22 15 o 123.4415 41.08236 1.042485       0.8396516 0.7215708      1.200723  1.349587       1.174601  123.6538 47.98270 141.9025 48.58883 -18.24873      68.28773 
1 1 1 1  22 17 f 121.4512 43.64634 0.9105601      0.9554999 -0.2106250     1.312007  2.176816       1.394307  106.2047 46.33156 171.9353 52.49229 -65.73055      70.01467 
1 1 1 1  22 19 o 113.4520 45.24819 0.5059174      1.093720  1.458817       1.577679  -0.3757654     1.517579  153.2297 55.94100 111.3507 49.16047 41.87893       74.47246 
1 1 1 1  22 21 o 149.4996 51.89683 1.528526       1.341610  0.1771848      1.870752  2.959466       1.925061  132.8000 56.59631 197.3172 61.92472 -64.51720      83.89168 
1 1 1 1  22 23 o 105.4702 47.27969 -0.4961594     1.459330  0.9603313      2.039304  -2.024806      2.089208  149.9290 61.07522 109.2301 51.57959 40.69888       79.94145 
1 1 1 1  22 25 o 213.9716 57.53667 3.732494       1.779844  3.587803       2.200065  4.006558       3.027903  208.2846 66.30757 218.8526 77.80447 -10.56804      102.2264 
1 1 1 1  22 27 o 125.7559 54.00618 0.3102128      1.727319  0.7740360      2.061658  -0.7822031     3.163985  142.3881 59.98931 146.6926 67.26431 -4.304550      90.12882 
1 1 1 1  22 29 f 135.1402 62.89378 -0.8877668     2.919900  -0.8877668     2.919900  0.000000       0.000000  135.1402 62.89378 ?        ?        ?              ?        
1 1 1 1  22 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  22 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  23 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  23 2  o 305.8970 51.68826 6.915392       2.157983  6.915392       2.157983  0.000000       0.000000  305.8970 51.68826 ?        ?        ?              ?        
1 1 1 1  23 4  o 297.1422 31.94168 6.361163       1.322137  9.681580       2.189385  4.455234       1.658744  365.1799 43.19936 244.6752 49.60370 120.5047       65.77775 
1 1 1 1  23 6  o 165.0322 47.70879 1.999365       1.176972  1.957805       1.792395  2.030870       1.560563  172.6642 59.98259 170.7496 55.97357 1.914551       82.04238 
1 1 1 1  23 8  o 382.4915 21.39299 10.41839       1.153397  10.33702       2.154637  10.45107       1.365523  377.8116 40.95162 382.6018 25.36242 -4.790222      48.16936 
1 1 1 1  23 10 o 554.3700 16.87472 21.81824       1.322362  20.55457       2.461529  22.33088       1.567805  535.6215 32.62815 560.5068 19.79584 -24.88531      38.16374 
1 1 1 1  23 12 o 277.9349 20.57416 5.518699       0.8035164 6.867685       1.162052  4.282817       1.112270  309.3005 26.81217 242.5042 33.28680 66.79623       42.74229 
1 1 1 1  23 14 o 356.4481 18.81519 9.051820       0.9457662 8.242457       1.345104  9.843173       1.330054  338.5910 28.33065 370.7299 25.50625 -32.13892      38.12078 
1 1 1 1  23 16 o 178.3059 39.20385 2.380233       0.9622765 1.452876       1.343099  3.358329       1.379354  148.3125 51.89742 210.8721 47.37939 -62.55959      70.27197 
1 1 1 1  23 18 o 386.5983 22.76372 10.69480       1.239929  7.717366       1.671795  14.33509       1.848546  324.9250 37.01563 446.2414 29.43560 -121.3164      47.29282 
1 1 1 1  23 20 o 111.3844 46.44810 0.2602373      1.216703  1.948083       1.735877  -1.369764      1.705872  167.7735 58.97757 103.5870 48.16277 64.18652       76.14464 
1 1 1 1  23 22 o 137.8720 52.64213 1.108088       1.428873  -0.1881693     2.018681  2.409625       2.022787  129.5192 56.95873 180.7773 63.65567 -51.25806      85.41862 
1 1 1 1  23 24 o 65.38009 32.93805 -4.234987      1.403881  -4.159587      1.988374  -4.309935      1.982413  87.28433 43.21115 86.12125 42.72482 1.163086       60.76688 
1 1 1 1  23 26 o 110.3999 50.07945 -0.5744949     1.694170  -0.1162717     2.123286  -1.377360      2.810550  129.7889 57.68044 132.6828 61.73483 -2.893875      84.48800 
1 1 1 1  23 28 o 131.3051 54.74749 0.8415402      1.690006  3.158907       2.034172  -4.322296      3.036522  187.0585 63.94481 112.1603 55.11768 74.89817       84.42095 
1 1 1 1  23 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  23 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  24 1  o 463.8847 40.06293 15.51286       2.604352  15.51286       2.604352  0.000000       0.000000  463.8847 40.06293 ?        ?        ?              ?        
1 1 1 1  24 3  f 211.7195 45.77248 3.340962       1.331443  2.370785       2.078369  4.016250       1.733970  187.8387 64.62218 231.2928 53.96508 -43.45415      84.19178 
1 1 1 1  24 5  o 129.8840 49.48061 0.8611611      1.260585  -0.5981110     1.805813  2.248151       1.760522  119.8846 53.24112 179.6404 59.47808 -59.75574      79.82643 
1 1 1 1  24 7  o 166.2631 50.40670 2.014413       1.288741  1.800313       2.006542  2.164744       1.681379  172.4016 63.06454 175.9232 58.12105 -3.521591      85.76242 
1 1 1 1  24 9  o 94.86004 41.25004 -0.1583219     1.032960  -0.8668103     1.810094  0.1838299      1.257894  115.7286 52.20048 112.4740 47.08864 3.254578       70.30100 
1 1 1 1  24 11 o 94.69707 37.60479 0.3471061      0.7522423 0.3651278      1.052310  0.3282729      1.075739  108.3572 43.97192 108.3498 44.27489 0.7400513E-02  62.40028 
1 1 1 1  24 13 f 110.4183 40.25383 0.7239793      0.8164825 1.490047       1.194518  0.5221646E-01  1.118580  146.6439 49.00521 103.3158 43.88760 43.32811       65.78474 
1 1 1 1  24 15 o 222.6024 31.93677 3.624893       0.9773210 3.074893       1.335902  4.258227       1.433539  201.4331 47.61860 238.6006 44.07725 -37.16751      64.88708 
1 1 1 1  24 17 o 120.9624 46.05605 0.7799987      1.091748  0.8937510E-01  1.554003  1.453062       1.534118  120.8667 51.54901 151.6559 55.19418 -30.78919      75.52283 
1 1 1 1  24 19 o 244.5073 37.30126 4.443861       1.249926  3.230143       1.759879  5.679289       1.775550  203.5528 58.18200 273.4367 47.61245 -69.88387      75.18038 
1 1 1 1  24 21 o 209.9163 45.96564 3.420585       1.327604  2.393553       1.870703  4.462716       1.884403  178.2735 61.30964 235.9961 57.05667 -57.72263      83.75163 
1 1 1 1  24 23 o 161.0184 53.80586 1.990804       1.440019  3.054640       1.983141  0.8042521      2.094401  193.4556 63.07887 145.4702 60.82184 47.98540       87.62556 
1 1 1 1  24 25 o 119.3168 52.36107 0.9973711E-02  1.697727  0.5313626      2.101372  -0.9700074     2.880918  138.6673 59.55946 137.9421 63.59149 0.7251740      87.12753 
1 1 1 1  24 27 o 169.6727 59.15368 2.478193       1.744002  2.118791       2.142109  3.184769       3.003525  163.3891 63.89283 187.4638 74.91074 -24.07465      98.45766 
1 1 1 1  24 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  24 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  25 0  o 84.98918 57.66029 -1.050793      2.079044  -1.050793      2.079044  -1.050793      2.079044  84.98918 57.66029 84.98918 57.66029 0.000000       0.000000 
1 1 1 1  25 2  o 251.8203 63.55481 4.828344       2.264708  4.828344       2.264708  0.000000       0.000000  251.8203 63.55481 ?        ?        ?              ?        
1 1 1 1  25 4  o 112.6936 47.57547 0.1135176      1.300945  -2.533098      1.974410  2.144167       1.729456  102.4926 48.89690 175.7999 58.96918 -73.30735      76.60464 
1 1 1 1  25 6  o 162.7777 51.33140 1.909009       1.321231  0.9109117      2.028500  2.644430       1.741232  153.1888 61.44409 189.7822 58.79167 -36.59346      85.04021 
1 1 1 1  25 8  o 206.5044 49.49425 3.221828       1.427588  3.420816       2.104875  3.052323       1.942693  213.3831 64.36151 202.4664 61.98947 10.91667       89.35938 
1 1 1 1  25 10 o 149.6768 45.87474 1.633648       1.063583  1.264110       2.040959  1.771414       1.246166  160.0908 62.43456 156.8435 49.90063 3.247314       79.92588 
1 1 1 1  25 12 f 213.1343 30.61312 3.318694       0.8969160 3.538657       1.244938  3.081308       1.293306  217.5982 41.94778 201.9286 46.25303 15.66962       62.44164 
1 1 1 1  25 14 o 183.0879 38.64674 2.512877       0.9698682 1.657222       1.332213  3.477774       1.414702  153.9018 51.75678 214.0085 47.90672 -60.10667      70.52531 
1 1 1 1  25 16 o 108.7399 43.98649 0.4108285      1.049170  -0.1349130     1.468392  0.9800158      1.499602  113.1918 49.20209 138.2600 53.63060 -25.06817      72.78109 
1 1 1 1  25 18 o 154.5459 48.10184 1.786359       1.164064  0.6302606      1.634995  2.974804       1.657710  133.2091 54.52594 195.2855 56.66916 -62.07645      78.64141 
1 1 1 1  25 20 o 86.19501 40.43092 -1.141268      1.246101  -2.216531      1.733737  0.7763324E-02  1.792223  93.95694 45.09082 124.8267 54.30737 -30.86980      70.58664 
1 1 1 1  25 22 o 144.2495 52.22726 1.464769       1.371228  1.142637       1.987112  1.757608       1.894611  148.8166 60.41216 160.0903 60.73786 -11.27376      85.66631 
1 1 1 1  25 24 o 145.0549 53.15345 1.526044       1.426363  3.722067       1.991091  -0.7889798     2.044327  207.1260 62.62452 117.9747 54.08570 89.15125       82.74716 
1 1 1 1  25 26 f 142.9121 60.05264 1.125313       2.057484  -1.774644      2.941697  3.902524       2.878768  126.8496 60.28121 198.9044 75.00285 -72.05484      96.22500 
1 1 1 1  25 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  25 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  26 1  o 292.7744 63.91663 6.573444       2.573839  6.573444       2.573839  0.000000       0.000000  292.7744 63.91663 ?        ?        ?              ?        
1 1 1 1  26 3  o 187.2300 55.54631 2.615308       1.577676  -0.3274384     2.335536  5.085134       2.139653  140.9761 61.65172 257.8154 59.80385 -116.8393      85.89199 
1 1 1 1  26 5  o 140.7181 52.55866 1.130507       1.406499  0.5005579      1.992114  1.756646       1.986079  143.7767 59.65119 169.7464 62.63282 -25.96964      86.49355 
1 1 1 1  26 7  f 93.09731 43.49911 -1.316946      1.419116  -0.2907946     2.192838  -2.056415      1.861490  136.7594 59.77467 102.5631 48.50817 34.19629       76.98087 
1 1 1 1  26 9  o 128.7606 47.01375 1.001331       1.114367  0.3596905      2.055208  1.268528       1.326249  142.7631 60.00652 142.2978 51.38492 0.4653320      79.00122 
1 1 1 1  26 11 o 156.2204 47.28058 1.803389       1.134527  5.195384       2.195137  0.5670754      1.325252  259.0223 60.91267 123.2675 49.58727 135.7548       78.54458 
1 1 1 1  26 13 f 215.1587 34.06532 3.416603       1.002764  5.199600       1.448736  1.776736       1.389371  264.8230 39.89297 158.1690 52.85112 106.6540       66.21700 
1 1 1 1  26 15 o 124.9981 46.25526 0.9362046      1.084585  1.578897       1.545640  0.3127774      1.522298  154.3741 55.50774 123.5096 51.76156 30.86442       75.89709 
1 1 1 1  26 17 o 147.1830 48.20488 1.590453       1.157550  3.716837       1.679451  -0.3338475     1.597655  216.8238 54.73434 113.4012 50.23521 103.4226       74.29283 
1 1 1 1  26 19 o 112.4372 46.31003 0.4224223      1.188833  1.760078       1.676424  -0.9307911     1.686145  158.0980 57.67329 106.6158 48.96743 51.48214       75.65724 
1 1 1 1  26 21 o 87.16757 40.68062 -0.9827239     1.235241  -0.4296044     1.747848  -1.534639      1.745944  114.7755 51.57345 100.4313 47.34153 14.34420       70.00744 
1 1 1 1  26 23 o 101.9594 45.59014 -0.2801003     1.347645  1.826000       1.883373  -2.489868      1.929168  158.0768 60.41750 96.23492 46.52871 61.84188       76.25742 
1 1 1 1  26 25 f 81.26884 39.96511 -2.762593      1.605541  -5.583523      2.838449  -1.435407      1.946932  99.80194 49.77469 104.6108 49.51597 -4.808830      70.20934 
1 1 1 1  26 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  26 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  27 0  o 71.45834 51.15663 -3.667184      2.394256  -3.667184      2.394256  -3.667184      2.394256  71.45834 51.15663 71.45834 51.15663 0.000000       0.000000 
1 1 1 1  27 2  o 149.8362 64.70218 -0.2190335E-01 2.505599  -0.2190335E-01 2.505599  0.000000       0.000000  149.8362 64.70218 ?        ?        ?              ?        
1 1 1 1  27 4  o 181.7952 57.64320 2.431288       1.664073  4.078160       2.500940  1.122913       2.229150  230.5325 70.28629 161.3492 64.51520 69.18327       95.40636 
1 1 1 1  27 6  o 166.4553 56.01133 1.951501       1.560228  2.476144       2.458719  1.597818       2.018756  193.1124 69.93304 166.0761 62.76730 27.03632       93.97002 
1 1 1 1  27 8  o 227.7369 49.84564 3.948332       1.561804  4.693578       2.405826  3.405497       2.053281  244.9054 67.33146 211.0469 63.54818 33.85852       92.58453 
1 1 1 1  27 10 o 111.5119 46.63113 0.2281247      1.231392  2.551927       2.353715  -0.6476079     1.444908  192.1647 68.56786 103.5334 46.67459 88.63139       82.94618 
1 1 1 1  27 12 o 81.70519 38.58421 -1.267083      1.169388  -0.9802336     2.187989  -1.381783      1.383572  125.6465 56.96238 90.09989 42.36961 35.54664       70.99223 
1 1 1 1  27 14 o 156.5678 46.11016 1.858276       1.090454  0.2361565      1.553665  3.433117       1.530856  122.5513 51.87655 209.8355 51.85389 -87.28418      73.34850 
1 1 1 1  27 16 o 131.5293 47.37082 1.150681       1.126235  -1.194250      1.651213  3.190541       1.540063  102.4047 47.53503 200.3832 53.36008 -97.97845      71.46242 
1 1 1 1  27 18 o 109.4447 44.96197 0.4201965      1.116883  0.1780962      1.597662  0.6515995      1.561966  120.5564 51.85875 128.8368 53.07532 -8.280319      74.20457 
1 1 1 1  27 20 o 98.26348 43.21922 -0.1242383     1.162615  -1.491232      1.595353  1.423952       1.697797  95.03622 44.93589 147.6729 57.12391 -52.63663      72.67995 
1 1 1 1  27 22 o 82.27595 39.79829 -1.947613      1.415554  -4.412236      2.551590  -0.8518077     1.701385  100.6960 49.68412 105.4873 48.71520 -4.791298      69.58221 
1 1 1 1  27 24 o 148.2303 60.11753 1.591637       1.965633  2.837042       2.965192  0.6153287      2.625373  177.0691 73.05485 142.7786 63.75178 34.29057       96.96030 
1 1 1 1  27 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  27 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  28 1  o 247.8319 75.15984 4.828689       2.864929  4.828689       2.864929  0.000000       0.000000  247.8319 75.15984 ?        ?        ?              ?        
1 1 1 1  28 3  o 126.1745 54.22403 0.1585454E-01  1.743586  1.143392       2.651385  -0.8433027     2.314427  170.7708 69.61213 132.1320 59.36168 38.63876       91.48583 
1 1 1 1  28 5  o 100.4260 46.67107 -1.307136      1.598912  -0.4240524     2.335887  -2.085666      2.193253  138.2168 61.00765 113.6767 53.42181 24.54006       81.09145 
1 1 1 1  28 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  28 9  o 113.8822 51.24213 -0.6809130     1.732098  -1.618404      2.658525  0.1055957E-01  2.283204  132.7201 61.14938 142.1564 61.57495 -9.436249      86.77973 
1 1 1 1  28 11 o 110.7732 47.57768 0.2807163E-01  1.340888  -0.2261876     2.560201  0.1241800      1.574042  145.6320 64.09125 121.1758 51.78610 24.45618       82.39835 
1 1 1 1  28 13 o 109.8846 46.73870 0.1423305      1.271478  -1.486276      2.279204  0.8781630      1.532021  120.8863 56.02180 134.8659 53.63009 -13.97952      77.55404 
1 1 1 1  28 15 o 85.34982 39.33990 -0.7349867     1.101909  0.1171756      1.533847  -1.643825      1.584033  117.8157 50.74757 93.88320 44.50449 23.93253       67.49789 
1 1 1 1  28 17 o 111.3444 44.58960 0.5743138      1.066518  0.1452970      1.475470  1.043736       1.543388  115.3996 49.74022 136.3859 53.95851 -20.98634      73.38672 
1 1 1 1  28 19 o 86.94829 39.76136 -0.5620537     1.095637  0.4483197E-01  1.536321  -1.190161      1.562951  114.4529 50.02872 96.99773 45.42819 17.45515       67.57657 
1 1 1 1  28 21 f 164.8536 52.61313 2.277650       1.384456  2.444252       2.519075  2.205550       1.657167  173.8820 68.89034 163.1474 57.60166 10.73466       89.79883 
1 1 1 1  28 23 o 128.4811 59.73101 -0.5251911     2.622678  -0.5251911     2.622678  0.000000       0.000000  128.4811 59.73101 ?        ?        ?              ?        
1 1 1 1  28 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  28 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  29 0  o 192.6456 93.70490 4.171116       2.998599  4.171116       2.998599  4.171116       2.998599  192.6456 93.70490 192.6456 93.70490 -0.000000      0.000000 
1 1 1 1  29 2  o 187.0634 75.28960 1.733758       3.056818  1.733758       3.056818  0.000000       0.000000  187.0634 75.28960 ?        ?        ?              ?        
1 1 1 1  29 4  o 168.0939 61.31596 1.867252       1.894836  0.1888128      2.872284  3.160552       2.521298  159.9855 69.18036 206.0118 71.16306 -46.02635      99.24769 
1 1 1 1  29 6  o 124.0015 55.13838 -0.4712769     1.942931  0.6133805      2.781503  -1.504793      2.715137  163.2102 69.26352 135.0117 62.05647 28.19855       92.99699 
1 1 1 1  29 8  o 126.0095 54.65446 -0.2414365E-01 1.803745  3.021600       2.900023  -1.945805      2.303527  204.9374 75.67228 117.4740 55.06061 87.46345       93.58400 
1 1 1 1  29 10 o 100.6447 46.93470 -1.317451      1.639215  -0.7018992     2.488856  -1.789028      2.178433  136.1844 61.33799 114.3918 53.59308 21.79260       81.45285 
1 1 1 1  29 12 o 84.71064 40.34776 -1.547460      1.333088  1.302902       2.445335  -2.752791      1.590162  162.5867 66.63194 83.31712 40.72261 79.26962       78.09064 
1 1 1 1  29 14 o 159.7781 51.81023 1.993883       1.338881  1.729997       2.498896  2.100139       1.585691  168.6107 67.99880 164.7705 56.45371 3.840210       88.37906 
1 1 1 1  29 16 o 116.0680 45.79552 0.7161233      1.108989  1.352102       1.596944  0.1237436      1.541234  143.8994 55.47134 116.4646 50.51775 27.43482       75.02742 
1 1 1 1  29 18 o 157.3491 50.95119 2.007658       1.295117  4.291956       2.537282  1.202796       1.506096  214.8466 71.41265 137.0048 53.57471 77.84184       89.27495 
1 1 1 1  29 20 o 172.2341 58.72769 2.600381       1.715579  4.431789       2.620304  1.226300       2.269683  210.9759 72.56065 147.8998 62.65815 63.07607       95.87018 
1 1 1 1  29 22 f 130.1679 61.04800 -0.5972633     2.839194  -0.5972633     2.839194  0.000000       0.000000  130.1679 61.04800 ?        ?        ?              ?        
1 1 1 1  29 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  29 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  30 1  o 244.3331 79.97231 4.947399       3.186161  4.947399       3.186161  0.000000       0.000000  244.3331 79.97231 ?        ?        ?              ?        
1 1 1 1  30 3  f 120.9172 55.28204 -1.064817      2.116267  0.2444937      3.117685  -2.183582      2.881908  164.0471 71.49537 131.8858 61.74165 32.16129       94.46491 
1 1 1 1  30 5  o 142.0902 59.52511 0.5925983      2.011988  -1.576965      2.934607  2.516993       2.763827  138.6256 64.00470 191.9386 73.23122 -53.31303      97.25951 
1 1 1 1  30 7  o 177.6227 62.60380 2.354656       1.956831  4.211485       2.847116  0.6921961      2.693983  224.9694 75.66294 159.0826 67.86077 65.88680       101.6364 
1 1 1 1  30 9  o 83.00387 40.96067 -3.488991      1.736428  -0.5464590     2.758032  -5.421289      2.234991  142.9719 64.46689 87.91434 43.89601 55.05755       77.99255 
1 1 1 1  30 11 o 142.0535 55.73953 1.189483       1.634962  1.065977       2.550651  1.275621       2.130125  158.3969 66.72919 153.9044 62.52225 4.492477       91.44297 
1 1 1 1  30 13 o 161.6630 58.10474 1.999790       1.693455  0.000000       0.000000  1.999790       1.693455  ?        ?        161.6630 58.10474 ?              ?        
1 1 1 1  30 15 f 122.6283 46.39386 0.9728162      1.103558  2.924912       1.590449  -0.8396157     1.532498  186.0409 55.90921 100.1498 46.24455 85.89117       72.55617 
1 1 1 1  30 17 o 142.9521 50.77031 1.587289       1.289004  2.904746       2.566707  1.142954       1.490608  182.6122 70.34354 134.0971 53.03577 48.51506       88.09657 
1 1 1 1  30 19 o 125.7315 58.27515 -0.5728003     2.467516  -0.5728003     2.467516  0.000000       0.000000  125.7315 58.27515 ?        ?        ?              ?        
1 1 1 1  30 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  30 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  30 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  31 0  o 148.1116 89.20927 2.205066       3.393728  2.205066       3.393728  2.205066       3.393728  148.1116 89.20927 148.1116 89.20927 -0.000000      0.000000 
1 1 1 1  31 2  o 174.9624 74.57179 1.205286       3.248322  1.205286       3.248322  0.000000       0.000000  174.9624 74.57179 ?        ?        ?              ?        
1 1 1 1  31 4  o 139.1180 60.56502 0.1976109      2.232145  -0.5547736     3.338722  0.8057176      3.001582  155.2863 70.38583 164.5010 70.92458 -9.214691      99.92227 
1 1 1 1  31 6  o 199.8199 66.04672 3.331722       2.171128  4.098259       3.033494  2.526670       3.108768  217.5715 77.81873 190.0781 76.12511 27.49335       108.8613 
1 1 1 1  31 8  o 113.8530 51.49202 -0.5388474     1.775123  -0.9803990     2.721562  -0.2119186     2.341824  135.0071 62.08199 134.5780 60.14207 0.4291382      86.43634 
1 1 1 1  31 10 o 135.3684 55.13092 0.9253654      1.661197  0.9006280      2.561522  0.9433213      2.182345  153.7346 65.88954 147.0321 61.81983 6.702499       90.35001 
1 1 1 1  31 12 o 127.3025 53.32691 0.6337476      1.614646  0.6530945      2.488569  0.6196817      2.121916  147.1881 64.01534 139.1176 59.80278 8.070557       87.60329 
1 1 1 1  31 14 o 106.2367 46.65569 0.1346955E-02  1.350183  -2.702536      2.287343  1.447298       1.672685  104.5259 50.56804 144.6481 56.49006 -40.12221      75.81723 
1 1 1 1  31 16 o 80.98626 39.45921 -2.162982      1.459838  -2.218410      2.264331  -2.123554      1.909716  106.3714 51.17307 96.87126 46.70187 9.500122       69.28021 
1 1 1 1  31 18 o 145.0600 64.26685 1.098777       2.615536  1.098777       2.615536  0.000000       0.000000  145.0600 64.26685 ?        ?        ?              ?        
1 1 1 1  31 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  31 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  31 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  32 1  o 185.8722 78.26760 2.181907       3.506404  2.181907       3.506404  0.000000       0.000000  185.8722 78.26760 ?        ?        ?              ?        
1 1 1 1  32 3  o 92.59796 45.75283 -4.185075      2.190523  0.2966059      3.170466  -8.278537      3.030037  157.2884 70.15583 95.63919 48.20865 61.64917       85.12294 
1 1 1 1  32 5  o 129.3873 56.92697 0.9985724E-01  2.018574  2.107955       2.824816  -1.995503      2.885541  175.8110 71.78244 127.9358 60.47433 47.87524       93.86087 
1 1 1 1  32 7  f 78.84141 39.40162 -4.401207      1.818945  -1.726632      2.770253  -6.428125      2.411627  126.8822 59.75549 86.71441 43.61882 40.16776       73.98190 
1 1 1 1  32 9  o 137.0876 55.63147 1.059959       1.684377  -0.3802818     2.437101  2.377080       2.330605  131.8296 59.90442 172.9990 66.92621 -41.16937      89.82013 
1 1 1 1  32 11 o 112.2714 49.52640 0.1208902E-01  1.537268  -2.765132      2.369670  2.030177       2.020006  106.0797 51.35586 161.3550 62.33799 -55.27528      80.76787 
1 1 1 1  32 13 o 142.2442 50.23260 1.616533       1.260335  0.9765444      2.294241  1.893147       1.508311  143.8263 62.00885 152.0033 54.81054 -8.176941      82.76045 
1 1 1 1  32 15 o 153.4884 64.76215 1.747007       2.408515  1.747007       2.408515  0.000000       0.000000  153.4884 64.76215 ?        ?        ?              ?        
1 1 1 1  32 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  32 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  32 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  32 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  33 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  33 2  o 142.2344 62.07302 0.5812463      2.356912  5.307005       3.549631  -3.145130      3.152033  226.6020 83.71117 123.3151 59.58581 103.2870       102.7523 
1 1 1 1  33 4  o 104.6657 50.32529 -2.325917      2.183084  -0.5802749     3.125933  -3.987949      3.050154  143.1111 66.06947 115.2059 56.32817 27.90520       86.82188 
1 1 1 1  33 6  f 102.3002 48.96688 -1.984940      2.015289  -4.220287      2.819198  0.3510037      2.881936  107.7997 53.00137 147.6012 66.28189 -39.80156      84.86715 
1 1 1 1  33 8  o 107.1222 49.48623 -0.7591042     1.757728  -0.7184764     2.618766  -0.7924144     2.371231  129.7225 60.09354 123.3466 57.15490 6.375870       82.93320 
1 1 1 1  33 10 o 128.1745 52.88249 0.9122273      1.553759  0.1454244      2.404691  1.461808       2.035790  133.5261 60.20285 147.1379 60.60167 -13.61179      85.42216 
1 1 1 1  33 12 o 120.7063 51.70507 0.6004176      1.575747  2.795374       2.457939  -0.9311435     2.053171  171.5444 68.02208 111.0171 52.01764 60.52727       85.63199 
1 1 1 1  33 14 o 125.0158 57.55669 0.2084540E-03  2.349109  0.2084540E-03  2.349109  0.000000       0.000000  125.0158 57.55669 ?        ?        ?              ?        
1 1 1 1  33 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  33 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  33 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  34 1  o 202.3052 81.47684 4.377681       3.582381  0.000000       0.000000  4.377681       3.582381  ?        ?        202.3052 81.47684 ?              ?        
1 1 1 1  34 3  o 111.5452 53.08850 -1.687229      2.298956  -0.9435959     3.299217  -2.389105      3.205248  138.8589 65.33871 126.1558 60.74008 12.70304       89.21045 
1 1 1 1  34 5  o 104.1129 49.66829 -1.675208      2.036851  1.495107       2.918529  -4.685676      2.844002  157.4466 68.88490 103.7341 51.41211 53.71246       85.95542 
1 1 1 1  34 7  o 154.6810 60.19299 2.016689       1.893742  1.758196       2.767536  2.244292       2.596910  157.4884 68.00330 163.3883 67.97419 -5.899979      96.15060 
1 1 1 1  34 9  o 188.3543 57.46815 3.369212       1.671526  4.810059       2.545346  2.276687       2.216428  209.1906 71.52895 159.0321 64.07410 50.15842       96.03063 
1 1 1 1  34 11 o 111.0022 52.77255 -1.125982      2.259257  -1.125982      2.259257  0.000000       0.000000  111.0022 52.77255 ?        ?        ?              ?        
1 1 1 1  34 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  34 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  34 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  34 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  35 0  o 181.5112 99.67110 5.366370       3.685855  5.366370       3.685855  5.366370       3.685855  181.5112 99.67110 181.5112 99.67110 0.000000       0.000000 
1 1 1 1  35 2  o 143.3168 66.57658 0.4104505      3.248538  0.000000       0.000000  0.4104505      3.248538  ?        ?        143.3168 66.57658 ?              ?        
1 1 1 1  35 4  o 106.8609 51.10263 -1.470417      2.183971  2.546459       3.108251  -5.387300      3.069319  163.7172 71.36880 102.0399 51.02350 61.67737       87.73199 
1 1 1 1  35 6  o 126.6938 55.57131 0.7808180      1.910185  0.2972083      2.666717  1.290439       2.737493  132.0068 60.97175 143.8540 64.59932 -11.84721      88.82920 
1 1 1 1  35 8  o 106.6271 51.54447 -1.721280      2.365004  -1.721280      2.365004  0.000000       0.000000  106.6271 51.54447 ?        ?        ?              ?        
1 1 1 1  35 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  35 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  35 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  35 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  35 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  36 1  o 173.8411 75.94682 4.349108       3.536300  0.000000       0.000000  4.349108       3.536300  ?        ?        173.8411 75.94682 ?              ?        
1 1 1 1  36 3  o 135.2629 59.62343 1.380476       2.223998  1.795493       3.090065  0.9344529      3.203413  145.6704 66.67509 138.3295 64.86611 7.340851       93.02248 
1 1 1 1  36 5  o 110.5949 51.39205 -0.1601585     1.938044  0.6129942      2.667084  -1.025126      2.821006  129.7472 60.29063 117.6927 56.74527 12.05447       82.79485 
1 1 1 1  36 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  36 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  36 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  36 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  36 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  37 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  38 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  38 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  38 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  38 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  38 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  39 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1  39 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  0  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  0  2  f 2628.043 22.11816 489.0374       8.224926  489.0374       8.224926  489.0374       8.224926  2628.043 22.11816 2628.043 22.11816 0.000000       0.000000 
1 1 1 2  0  4  o 676.8831 14.61746 32.47198       1.398775  32.47198       1.398775  32.47198       1.398775  676.8831 14.61746 676.8831 14.61746 0.000000       0.000000 
1 1 1 2  0  6  o 1539.701 21.73541 167.9225       4.734007  167.9225       4.734007  167.9225       4.734007  1539.701 21.73541 1539.701 21.73541 0.000000       0.000000 
1 1 1 2  0  8  o 920.6186 18.22406 60.06067       2.372251  60.06067       2.372251  60.06067       2.372251  920.6186 18.22406 920.6186 18.22406 0.000000       0.000000 
1 1 1 2  0  10 o 2078.737 28.28421 306.1588       8.317295  306.1588       8.317295  306.1588       8.317295  2078.737 28.28421 2078.737 28.28421 -0.000000      0.000000 
1 1 1 2  0  12 o 1121.059 21.98877 89.07741       3.485555  89.07741       3.485555  89.07741       3.485555  1121.059 21.98877 1121.059 21.98877 -0.000000      0.000000 
1 1 1 2  0  14 o 679.8679 23.18521 32.84470       2.224886  32.84470       2.224886  32.84470       2.224886  679.8679 23.18521 679.8679 23.18521 -0.000000      0.000000 
1 1 1 2  0  16 o 91.80422 55.10299 0.6092864      1.285861  0.6092864      1.285861  0.6092864      1.285861  91.80422 55.10299 91.80422 55.10299 -0.000000      0.000000 
1 1 1 2  0  18 f 463.4864 44.54641 15.71352       2.855949  15.71352       2.855949  15.71352       2.855949  463.4864 44.54641 463.4864 44.54641 0.000000       0.000000 
1 1 1 2  0  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  0  22 o 1746.022 43.43904 217.3383       10.71869  217.3383       10.71869  217.3383       10.71869  1746.022 43.43904 1746.022 43.43904 0.000000       0.000000 
1 1 1 2  0  24 o 95.50410 64.99216 -1.495383      2.683209  -1.495383      2.683209  -1.495383      2.683209  95.50410 64.99216 95.50410 64.99216 -0.000000      0.000000 
1 1 1 2  0  26 f 1319.241 44.59280 124.3156       8.303885  124.3156       8.303885  124.3156       8.303885  1319.241 44.59280 1319.241 44.59280 0.000000       0.000000 
1 1 1 2  0  28 o 395.6168 78.51540 12.52019       3.905572  12.52019       3.905572  12.52019       3.905572  395.6168 78.51540 395.6168 78.51540 0.000000       0.000000 
1 1 1 2  0  30 o 545.5176 73.44806 22.73641       5.381567  22.73641       5.381567  22.73641       5.381567  545.5176 73.44806 545.5176 73.44806 -0.000000      0.000000 
1 1 1 2  0  32 o 238.3792 117.8645 6.620787       4.774547  6.620787       4.774547  6.620787       4.774547  238.3792 117.8645 238.3792 117.8645 -0.000000      0.000000 
1 1 1 2  0  34 f 185.1488 106.0783 3.938514       4.403519  3.938514       4.403519  3.938514       4.403519  185.1488 106.0783 185.1488 106.0783 0.000000       0.000000 
1 1 1 2  0  36 o 375.0130 115.5016 14.25259       5.361572  14.25259       5.361572  14.25259       5.361572  375.0130 115.5016 375.0130 115.5016 0.000000       0.000000 
1 1 1 2  0  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  0  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  1  1  o 1675.766 13.37684 198.7740       3.172391  194.5677       4.896651  201.8167       4.164601  1657.549 20.87435 1688.349 17.42976 -30.80017      27.19439 
1 1 1 2  1  3  o 681.9681 8.529141 32.91364       0.8231694 34.58797       1.316495  31.83881       1.054797  699.0319 13.30768 670.7092 11.11257 28.32269       17.33735 
1 1 1 2  1  5  o 2900.787 28.45675 596.2998       11.68210  589.3521       14.14589  611.2000       20.71592  2882.805 34.67330 2932.302 49.92013 -49.49731      60.78040 
1 1 1 2  1  7  o 2614.997 22.92332 484.3373       8.483373  479.8033       11.87623  489.0610       12.12215  2601.508 32.25772 2626.431 32.61323 -24.92285      45.87138 
1 1 1 2  1  9  o 3021.061 26.26529 646.6284       11.22953  649.5566       15.95149  643.7515       15.81135  3025.972 37.24916 3012.453 37.08761 13.51904       52.56416 
1 1 1 2  1  11 o 1403.765 16.34008 139.5093       3.246148  139.8705       4.621944  139.1578       4.560173  1405.208 23.24150 1401.640 22.98926 3.568481       32.69057 
1 1 1 2  1  13 o 1375.281 17.02569 133.9278       3.313720  134.3396       4.724242  133.5290       4.649273  1376.907 24.24419 1372.771 23.93134 4.136108       34.06596 
1 1 1 2  1  15 o 786.7256 16.70268 43.83707       1.859642  42.36377       2.574229  45.44517       2.689412  772.6780 23.56877 800.2921 23.77227 -27.61401      33.47548 
1 1 1 2  1  17 o 733.8177 20.81202 38.22303       2.159152  36.38037       2.630104  42.03164       3.781236  715.2597 26.02640 767.4207 34.90754 -52.16095      43.54205 
1 1 1 2  1  19 o 1203.734 21.92129 102.9118       3.734361  104.7574       4.695225  99.73415       6.160823  1213.229 27.34601 1180.429 36.92440 32.79919       45.94796 
1 1 1 2  1  21 o 471.7825 50.36882 16.21844       3.311014  16.21844       3.311014  0.000000       0.000000  471.7825 50.36882 ?        ?        ?              ?        
1 1 1 2  1  23 o 1130.632 30.39766 90.93227       4.859447  83.27962       6.371030  101.5775       7.514176  1079.431 41.78457 1191.470 44.64237 -112.0388      61.14648 
1 1 1 2  1  25 o 638.5305 33.29727 29.08898       2.998520  27.19348       4.394766  30.73995       4.101502  613.8724 51.04840 654.3749 44.55482 -40.50244      67.75744 
1 1 1 2  1  27 o 1323.879 31.68686 124.9459       5.936730  131.1303       8.672492  119.4923       8.144013  1350.232 45.45015 1289.196 44.70512 61.03528       63.75159 
1 1 1 2  1  29 o 731.0683 37.46275 38.41493       3.863018  34.18467       5.399429  42.85090       5.529145  682.7916 56.37989 767.1802 51.21952 -84.38855      76.17172 
1 1 1 2  1  31 o 533.6157 48.59544 20.95027       3.629593  17.04235       5.064461  25.07721       5.204440  466.1187 79.63219 575.9678 64.98240 -109.8491      102.7813 
1 1 1 2  1  33 o 576.1211 51.35333 25.00051       4.143151  22.41345       5.457263  28.52053       6.365677  527.8129 75.18232 593.9415 77.58525 -66.12860      108.0363 
1 1 1 2  1  35 o 282.6725 82.36274 7.046492       3.495277  5.836328       4.880242  8.321042       5.008386  257.7597 97.55253 295.2045 100.3484 -37.44485      139.9510 
1 1 1 2  1  37 o 154.2710 69.38493 -0.2277701E-02 3.171844  1.216884       4.551938  -1.152936      4.422204  186.7556 83.62620 165.0759 77.01738 21.67969       113.6882 
1 1 1 2  1  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  2  0  f 1101.072 12.79051 85.83463       1.992468  85.83463       1.992468  85.83463       1.992468  1101.072 12.79051 1101.072 12.79051 0.000000       0.000000 
1 1 1 2  2  2  o 1608.057 10.38393 183.0117       2.363104  180.4005       3.293401  185.7827       3.392677  1596.390 14.57759 1620.019 14.79798 -23.62891      20.77225 
1 1 1 2  2  4  o 1907.997 17.24554 257.7403       4.656657  258.8733       6.620914  256.6311       6.550663  1911.657 24.47305 1903.374 24.31876 8.283691       34.50119 
1 1 1 2  2  6  f 1089.471 12.79883 84.01386       1.973356  85.52281       2.816998  82.55988       2.765217  1099.046 18.11135 1079.840 18.09463 19.20544       25.60150 
1 1 1 2  2  8  o 1536.035 15.98672 167.0301       3.475205  173.5391       5.040014  161.1307       4.798258  1565.304 22.75167 1508.322 22.47863 56.98206       31.98324 
1 1 1 2  2  10 o 2680.510 24.08740 508.9643       9.137496  521.3032       13.24889  497.7710       12.61887  2711.285 34.52903 2649.528 33.65363 61.75684       48.21640 
1 1 1 2  2  12 o 1133.509 15.53253 90.96298       2.491650  90.05141       3.491511  91.90900       3.556849  1127.528 21.88096 1139.088 22.06421 -11.56006      31.07419 
1 1 1 2  2  14 o 636.0543 16.56114 28.66860       1.489480  30.71338       2.153967  26.79483       2.061930  657.9209 23.16990 614.4175 23.75799 43.50336       33.18564 
1 1 1 2  2  16 o 568.1023 21.06486 22.91336       1.690644  24.39574       2.161834  20.57923       2.712730  585.7028 26.14698 536.5728 35.93093 49.13000       44.43755 
1 1 1 2  2  18 o 479.3655 24.46607 16.36814       1.654291  15.86388       2.060592  17.28244       2.774645  470.9405 31.09159 489.8953 40.37886 -18.95480      50.96214 
1 1 1 2  2  20 o 1342.215 27.65315 128.2674       5.252748  132.5004       7.822834  124.7920       7.088368  1358.716 40.72923 1319.780 37.99068 38.93604       55.69706 
1 1 1 2  2  22 o 1177.893 29.88623 98.75396       4.977899  101.7020       7.091034  95.88956       6.989683  1191.939 42.10353 1157.125 42.75676 34.81335       60.00706 
1 1 1 2  2  24 o 1275.482 29.94864 115.5893       5.405938  105.8476       7.528412  125.9594       7.767493  1216.960 43.78402 1328.377 41.36846 -111.4171      60.23611 
1 1 1 2  2  26 o 1915.368 33.83644 261.4510       9.171843  260.2140       13.09756  262.6414       12.84793  1903.025 48.67240 1913.164 47.45272 -10.13953      67.97619 
1 1 1 2  2  28 o 363.6201 58.84099 9.849618       2.924566  11.32618       4.549515  8.809753       3.817929  381.5073 86.29115 337.3242 80.99976 44.18307       118.3517 
1 1 1 2  2  30 o 250.6475 77.82126 4.779863       3.048917  -0.3016886     4.185061  10.52734       4.450840  188.7566 82.53812 363.8574 87.51064 -175.1007      120.2940 
1 1 1 2  2  32 o 231.2394 80.23678 4.028830       3.206782  2.700666       4.951846  4.988146       4.208451  230.6832 94.71041 255.4003 91.62219 -24.71709      131.7751 
1 1 1 2  2  34 o 566.0497 53.06754 24.47878       4.201550  20.94817       6.250156  27.38966       5.675151  487.5323 93.99462 583.7209 70.10023 -96.18863      117.2563 
1 1 1 2  2  36 o 167.7642 68.20353 1.588297       2.537054  0.3410397E-01  3.080311  4.866428       4.473582  156.1812 69.43799 235.3214 92.24155 -79.14024      115.4562 
1 1 1 2  2  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  2  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  3  1  o 2225.480 13.47853 350.5766       4.245081  352.0063       6.029143  349.1710       5.978084  2229.636 19.10741 2220.645 19.02230 8.991211       26.96185 
1 1 1 2  3  3  o 531.7042 7.315852 20.00658       0.5504968 20.10264       0.7784904 19.91050       0.7785495 532.9531 10.32154 530.3995 10.37202 2.553589       14.63260 
1 1 1 2  3  5  o 1453.727 14.55703 149.5975       2.994852  150.7557       4.264044  148.4700       4.207247  1459.056 20.65048 1447.959 20.53156 11.09631       29.12021 
1 1 1 2  3  7  o 2721.054 27.35441 524.6372       10.53378  507.0952       17.47264  534.6533       13.20292  2671.788 46.21008 2745.886 33.97565 -74.09790      57.35604 
1 1 1 2  3  9  o 1483.528 18.21736 155.8280       3.824731  156.0472       4.730956  155.4145       6.498368  1484.332 22.52154 1480.703 31.01106 3.629272       38.32631 
1 1 1 2  3  11 o 2354.807 22.22144 392.7633       7.405377  400.2648       10.64628  385.7316       10.30750  2375.976 31.66184 2332.506 31.22561 43.46924       44.46921 
1 1 1 2  3  13 o 653.6402 17.98637 30.27924       1.662222  32.37097       2.119541  26.93752       2.679009  675.5900 22.19877 615.5013 30.85407 60.08862       38.00999 
1 1 1 2  3  15 o 515.3810 20.44158 18.85261       1.487991  20.63157       1.911412  16.11612       2.370649  538.7842 25.13729 474.8629 35.53365 63.92130       43.52612 
1 1 1 2  3  17 o 997.9778 20.63035 70.64696       2.913717  76.42845       3.809787  62.49997       4.522506  1036.947 25.98163 936.0660 34.19664 100.8813       42.94712 
1 1 1 2  3  19 o 1308.768 26.38881 121.8754       4.887676  125.1817       7.140738  118.9609       6.704321  1321.881 38.21087 1289.172 36.78481 32.70911       53.03954 
1 1 1 2  3  21 o 1075.926 41.34458 83.04372       6.283646  83.04372       6.283646  0.000000       0.000000  1075.926 41.34458 ?        ?        ?              ?        
1 1 1 2  3  23 o 592.7217 33.75097 25.07623       2.819409  21.43084       4.310992  27.80080       3.726960  543.2557 56.91685 622.6666 42.54975 -79.41089      71.06342 
1 1 1 2  3  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  3  27 o 492.9379 41.48765 17.53746       2.867379  17.62786       4.273930  17.46347       3.866747  488.0044 63.38065 487.6866 57.10558 0.3178406      85.31210 
1 1 1 2  3  29 o 308.5561 72.77126 7.343710       3.125774  11.62627       5.078505  4.731936       3.965993  382.1263 94.45499 257.4081 89.23544 124.7181       129.9412 
1 1 1 2  3  31 o 169.1044 74.18568 -0.3259130     3.405425  -4.584197      5.167828  2.942422       4.527453  172.3677 81.31130 231.8125 92.18997 -59.44479      122.9249 
1 1 1 2  3  33 o 619.0263 49.27015 28.74242       4.280722  33.09428       6.683623  25.71558       5.574034  641.8111 74.99638 568.7994 70.77174 73.01172       103.1169 
1 1 1 2  3  35 o 317.4678 64.66917 8.246531       2.806690  4.197834       3.450813  16.15940       4.824262  226.4689 82.72506 431.8569 81.93193 -205.3880      116.4314 
1 1 1 2  3  37 f 165.1090 68.40275 1.576735       2.614255  -0.4879174     3.199202  5.726204       4.535388  149.3149 68.15285 237.9130 92.98836 -88.59810      115.2894 
1 1 1 2  3  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  4  0  o 1176.503 11.84720 97.98607       1.972101  97.98607       1.972101  97.98607       1.972101  1176.503 11.84720 1176.503 11.84720 0.000000       0.000000 
1 1 1 2  4  2  o 758.4706 7.251770 40.71080       0.7783996 41.44414       1.184889  40.15402       1.032437  765.2239 10.94131 753.2375 9.685276 11.98645       14.61221 
1 1 1 2  4  4  o 813.1395 9.454839 46.79417       1.088025  47.19405       1.381752  46.14162       1.765096  816.5662 11.95691 807.3387 15.44873 9.227417       19.53538 
1 1 1 2  4  6  f 953.4654 13.95372 64.35102       1.882846  63.37924       2.322103  66.21618       3.217039  946.1464 17.34216 966.8657 23.51096 -20.71930      29.21499 
1 1 1 2  4  8  o 1560.014 16.18107 172.2884       3.572362  166.4962       4.903557  178.8398       5.214977  1533.215 22.59896 1588.993 23.19053 -55.77832      32.38076 
1 1 1 2  4  10 o 2625.677 24.01218 488.3762       8.922626  486.3818       12.36580  490.5424       12.88736  2618.958 33.36366 2629.919 34.62596 -10.96069      48.08421 
1 1 1 2  4  12 o 1500.038 23.50595 159.4198       4.989990  166.0816       7.420082  153.9195       6.742328  1529.972 34.26931 1473.103 32.34125 56.86902       47.12051 
1 1 1 2  4  14 o 863.9039 18.37205 52.86579       2.246171  51.68745       2.764408  55.15529       3.853335  853.6691 22.90262 881.0280 30.95298 -27.35889      38.50476 
1 1 1 2  4  16 o 673.9048 19.93737 32.22562       1.899365  31.83110       2.407300  32.87625       3.091465  669.1719 25.46631 679.1595 32.25639 -9.987610      41.09754 
1 1 1 2  4  18 o 162.2368 50.04481 1.895766       1.263235  1.616652       1.552096  2.443452       2.174172  158.6253 55.76768 191.1633 66.08067 -32.53799      86.46785 
1 1 1 2  4  20 o 1084.212 22.28810 83.51524       3.419849  82.65459       4.257249  85.08098       5.742106  1077.017 27.95464 1089.785 37.28644 -12.76733      46.60193 
1 1 1 2  4  22 o 677.4216 47.99700 33.04596       4.571635  33.04596       4.571635  0.000000       0.000000  677.4216 47.99700 ?        ?        ?              ?        
1 1 1 2  4  24 o 909.3745 30.07511 58.82806       3.865200  69.64479       6.292236  52.27296       4.898315  986.3596 45.19659 855.2528 40.58573 131.1068       60.74482 
1 1 1 2  4  26 o 1949.906 34.90413 271.2136       9.631863  278.0717       14.71535  266.0730       12.74017  1963.483 53.00555 1925.217 46.76014 38.26587       70.68308 
1 1 1 2  4  28 f 275.9482 69.71342 5.826327       2.722961  7.681437       4.262548  4.547387       3.539237  314.0989 90.78958 251.1092 84.35908 62.98975       123.9323 
1 1 1 2  4  30 o 859.6459 38.02874 53.27562       4.615036  41.68699       6.466424  65.30624       6.588583  748.9111 61.55466 946.0852 49.37963 -197.1741      78.91341 
1 1 1 2  4  32 o 336.8686 58.67009 8.749428       2.695449  5.716278       3.403819  13.84999       4.413962  265.1356 82.21056 414.3128 78.14492 -149.1772      113.4249 
1 1 1 2  4  34 o 880.7863 33.17425 56.58599       4.127762  55.36214       5.215685  58.63740       6.752636  862.6415 42.85714 874.4432 54.84213 -11.80170      69.60168 
1 1 1 2  4  36 o 136.5356 61.85236 -0.6044473     2.573913  2.854854       3.263190  -6.300637      4.187361  196.8932 78.27858 131.7329 64.73384 65.16028       101.5776 
1 1 1 2  4  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  4  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  5  1  o 516.3987 6.540442 18.87099       0.4779826 18.44127       0.6726071 19.30941       0.6793829 510.4644 9.310567 522.3427 9.190504 -11.87820      13.08251 
1 1 1 2  5  3  o 807.0452 8.071142 46.09334       0.9218339 45.61485       1.295135  46.58465       1.312376  802.7971 11.39959 811.2856 11.43049 -8.488586      16.14332 
1 1 1 2  5  5  o 1428.272 14.58704 144.4052       2.948477  144.3228       4.168798  144.4877       4.170753  1427.582 20.63431 1428.398 20.63220 -0.8153076     29.17983 
1 1 1 2  5  7  f 1368.488 14.83017 132.5710       2.872148  133.0555       4.048804  132.0802       4.074983  1370.712 20.87184 1365.668 21.08438 5.044067       29.66791 
1 1 1 2  5  9  o 1350.218 17.37721 129.0757       3.320503  130.5936       4.177155  126.4700       5.472922  1357.917 21.73640 1335.847 28.94961 22.06921       36.20153 
1 1 1 2  5  11 o 2022.828 27.09895 290.0017       7.757668  293.1512       11.12780  287.0238       10.82064  2032.101 38.69407 2010.863 38.02338 21.23730       54.24951 
1 1 1 2  5  13 o 950.6719 17.70111 64.00713       2.381503  63.37339       3.022909  65.04399       3.866655  945.6960 22.58675 957.2507 28.57435 -11.55475      36.42327 
1 1 1 2  5  15 o 1275.728 19.74516 115.3485       3.564829  115.3252       4.453716  115.3899       5.946894  1275.018 24.68235 1273.680 33.01996 1.337891       41.22543 
1 1 1 2  5  17 o 166.2750 47.98077 2.029535       1.191435  2.080824       1.550253  1.955529       1.862202  172.1417 55.74464 173.9908 61.09201 -1.849060      82.70247 
1 1 1 2  5  19 o 539.4214 28.90626 20.78806       2.198624  21.91355       3.154491  19.72479       3.066042  551.3379 40.71615 522.6627 41.79928 28.67517       58.35225 
1 1 1 2  5  21 o 1094.363 22.58821 85.03404       3.498349  91.25059       4.603006  76.53265       5.382847  1132.108 28.75317 1034.669 36.81999 97.43860       46.71677 
1 1 1 2  5  23 o 1589.576 46.28860 180.7561       10.40190  180.7561       10.40190  0.000000       0.000000  1589.576 46.28860 ?        ?        ?              ?        
1 1 1 2  5  25 o 668.8994 35.41307 31.97226       3.340365  35.02814       5.207933  29.83642       4.353929  696.0674 53.27297 643.4041 48.16607 52.66333       71.81908 
1 1 1 2  5  27 o 1070.393 32.06507 81.81406       4.851828  77.25092       7.094769  85.82285       6.649861  1034.006 48.61983 1092.368 43.09998 -58.36218      64.97304 
1 1 1 2  5  29 o 287.7888 58.90007 6.270488       2.318006  8.069099       3.052814  3.821696       3.562113  324.4367 68.63485 236.5390 84.35779 87.89769       108.7519 
1 1 1 2  5  31 o 398.0379 50.27980 11.80383       2.769212  10.83680       3.638964  13.13436       4.268438  371.9147 71.73725 407.7109 76.79361 -35.79626      105.0880 
1 1 1 2  5  33 o 129.3474 59.89226 -1.675971      2.596797  -1.837603      3.424860  -1.457383      3.982825  149.7791 69.15089 165.8349 75.82606 -16.05589      102.6228 
1 1 1 2  5  35 o 284.8010 70.74833 6.891471       2.838747  2.351385       3.563290  14.77889       4.696632  196.6157 80.48939 408.5643 84.03481 -211.9486      116.3632 
1 1 1 2  5  37 o 140.2587 62.32290 0.9035829E-01  2.477780  -0.8272849     3.051112  1.867633       4.246182  142.3083 65.54606 188.0169 82.64909 -45.70857      105.4853 
1 1 1 2  5  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  6  0  o 1736.218 15.86887 213.4074       3.898419  213.4074       3.898419  213.4074       3.898419  1736.218 15.86887 1736.218 15.86887 -0.000000      0.000000 
1 1 1 2  6  2  f 2031.845 14.59805 292.2430       4.197640  295.4037       5.999067  289.2112       5.875579  2042.387 20.75515 2020.883 20.54422 21.50403       29.20345 
1 1 1 2  6  4  f 623.1228 8.920542 27.47904       0.7866557 27.34439       0.9566763 27.76017       1.382321  621.5717 10.87562 626.2063 15.59809 -4.634583      19.01525 
1 1 1 2  6  6  o 946.3986 14.12027 63.40153       1.891198  64.50975       2.398742  61.58110       3.074382  954.5307 17.75717 932.4139 23.29857 22.11676       29.29404 
1 1 1 2  6  8  o 2115.046 22.63823 316.8452       6.776134  314.7883       8.362411  320.7781       11.56330  2107.628 28.03610 2126.209 38.42875 -18.58057      47.56882 
1 1 1 2  6  10 o 1560.283 19.25213 172.3996       4.251107  167.4617       5.192697  182.4353       7.402708  1537.453 23.86555 1603.881 32.61358 -66.42883      40.41299 
1 1 1 2  6  12 f 1357.865 22.00418 130.6317       4.228453  134.6947       6.216690  127.1337       5.768321  1377.869 31.88096 1338.793 30.44502 39.07666       44.08281 
1 1 1 2  6  14 o 751.9980 18.66368 40.06555       1.986249  39.72249       2.545986  40.59906       3.174984  748.0734 24.08009 755.6754 29.74648 -7.602051      38.27145 
1 1 1 2  6  16 o 439.5403 23.50056 13.75221       1.456516  14.04647       1.865365  13.29257       2.331338  443.4272 29.89979 429.8987 38.73443 13.52853       48.93213 
1 1 1 2  6  18 f 379.1044 31.92625 10.32289       1.696976  11.30238       2.483141  9.464562       2.324481  393.9760 45.36313 359.7540 46.76176 34.22195       65.14964 
1 1 1 2  6  20 o 769.9048 22.80780 42.14916       2.482340  41.75016       3.187744  42.76388       3.956679  764.9933 29.49991 772.6357 36.28701 -7.642456      46.76529 
1 1 1 2  6  22 o 1253.954 23.80333 111.5902       4.224148  116.5949       5.580383  104.8745       6.464309  1280.503 30.79383 1212.384 37.72167 68.11890       48.69481 
1 1 1 2  6  24 o 1569.667 25.20251 174.8914       5.598491  170.0087       6.951997  183.9007       9.443223  1546.172 31.77107 1604.725 41.61658 -58.55286      52.35781 
1 1 1 2  6  26 o 971.2457 25.43770 67.10947       3.493435  69.88315       4.507586  62.93777       5.528060  989.5314 32.23104 936.2597 41.82679 53.27167       52.80455 
1 1 1 2  6  28 o 645.7121 31.67113 29.84475       2.885329  31.22515       3.739156  27.81300       4.536364  658.2015 40.33532 617.1338 52.43687 41.06775       66.15560 
1 1 1 2  6  30 o 350.5988 57.42804 9.269361       2.750842  9.436435       3.503093  9.000627       4.442826  347.6708 73.49953 333.2777 91.44772 14.39310       117.3238 
1 1 1 2  6  32 o 702.1552 36.60188 35.93950       3.624552  32.95424       4.258154  43.79185       6.906046  667.0572 45.37658 751.9387 65.55200 -84.88153      79.72515 
1 1 1 2  6  34 f 322.7963 65.72925 8.492196       2.900512  6.912178       3.986965  10.26859       4.227479  277.8852 89.34548 339.4876 87.45455 -61.60239      125.0237 
1 1 1 2  6  36 o 177.5164 70.25340 2.200690       2.617085  2.256869       3.235754  2.094426       4.450210  185.6218 76.42197 196.7012 85.57672 -11.07935      114.7331 
1 1 1 2  6  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  7  1  o 2149.417 14.37464 327.0398       4.372579  324.3000       5.766556  330.7460       6.706962  2140.081 19.03998 2161.004 21.93060 -20.92285      29.04259 
1 1 1 2  7  3  o 2543.817 21.81174 458.3013       7.852284  460.4402       11.35599  456.3416       10.86959  2548.509 31.48611 2537.320 30.27039 11.18872       43.67690 
1 1 1 2  7  5  f 1924.202 20.56792 262.2028       5.600939  263.2568       6.978513  260.2946       9.389348  1927.645 25.58091 1915.787 34.63127 11.85876       43.05471 
1 1 1 2  7  7  o 1932.365 21.06854 264.4438       5.761605  265.0864       7.205063  263.3040       9.595442  1934.256 26.32110 1926.748 35.19008 7.507813       43.94476 
1 1 1 2  7  9  o 892.4180 15.32089 56.38186       1.934960  56.66570       2.471189  55.93209       3.110810  894.5248 19.52062 888.1559 24.77360 6.368896       31.54023 
1 1 1 2  7  11 o 776.8084 16.09999 42.72661       1.769944  42.39231       2.263793  43.25233       2.838868  773.3240 20.70362 780.7593 25.72775 -7.435303      33.02358 
1 1 1 2  7  13 o 255.3561 29.63729 4.689236       1.051167  3.546350       1.342873  6.497528       1.689148  219.2078 44.80149 299.4652 40.92645 -80.25739      60.68070 
1 1 1 2  7  15 o 637.2145 22.69585 28.84318       2.043421  32.84528       3.120117  25.83737       2.704010  678.7063 32.57911 601.8862 31.85839 76.82013       45.56704 
1 1 1 2  7  17 o 945.7799 23.02048 63.54266       3.081231  62.10308       4.364464  64.97311       4.350606  932.4896 33.12513 954.0425 32.26917 -21.55292      46.24471 
1 1 1 2  7  19 o 645.0894 22.74377 29.60954       2.073109  30.04979       2.664749  28.93453       3.299578  648.7409 29.09860 634.8326 36.88534 13.90833       46.98145 
1 1 1 2  7  21 o 469.4029 29.29705 15.73046       1.936506  14.60008       2.366270  18.02284       3.369720  450.8606 37.42219 499.0091 48.32010 -48.14850      61.11671 
1 1 1 2  7  23 o 942.4655 30.65199 63.19744       4.082873  63.19744       4.082873  0.000000       0.000000  942.4655 30.65199 ?        ?        ?              ?        
1 1 1 2  7  25 o 699.9282 27.26159 34.88116       2.695213  36.14365       3.487118  33.00795       4.247633  711.1418 34.75425 677.3210 44.56067 33.82086       56.51116 
1 1 1 2  7  27 o 804.4910 28.14705 46.16267       3.199662  48.67397       4.125000  42.36936       5.069723  824.2148 35.44706 765.2169 47.04182 58.99792       58.90184 
1 1 1 2  7  29 o 885.4614 29.46955 56.07478       3.687716  56.10643       4.758393  56.02717       5.835261  882.5411 38.18869 877.8730 47.14163 4.668091       60.66885 
1 1 1 2  7  31 o 455.5105 46.34123 15.36651       2.945799  15.42596       3.748970  15.27056       4.762592  449.6352 60.44552 436.0040 80.13722 13.63126       100.3775 
1 1 1 2  7  33 o 195.3567 72.78486 2.684431       2.694007  3.825327       3.444517  0.8871195      4.323316  223.7026 82.49380 194.2977 84.44135 29.40498       118.0490 
1 1 1 2  7  35 o 268.5270 72.49953 6.270197       2.819026  3.092252       3.490509  12.23111       4.780483  204.8500 81.11398 357.2461 93.48905 -152.3961      123.7727 
1 1 1 2  7  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  7  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  8  0  o 782.7358 16.04707 43.41837       1.775901  43.41837       1.775901  43.41837       1.775901  782.7358 16.04707 782.7358 16.04707 -0.000000      0.000000 
1 1 1 2  8  2  o 1297.410 14.99767 119.1599       2.753726  121.2959       4.952573  118.2041       3.313074  1308.375 26.74724 1292.068 18.11865 16.30664       32.30635 
1 1 1 2  8  4  o 835.6453 15.43699 49.43463       1.825595  50.65791       2.629990  48.29710       2.536129  845.4378 21.99996 825.5057 21.72747 19.93207       30.92056 
1 1 1 2  8  6  o 636.8215 15.15088 28.70890       1.365449  30.09990       1.982751  27.45411       1.883168  651.5659 21.53213 622.2451 21.41685 29.32074       30.36962 
1 1 1 2  8  8  o 721.9212 16.39648 36.89903       1.675175  35.58699       2.333485  38.29424       2.406303  708.3839 23.30817 734.8724 23.16655 -26.48853      32.86274 
1 1 1 2  8  10 o 1143.546 19.29073 92.61764       3.121922  89.89217       4.334702  95.55502       4.500070  1126.087 27.19991 1161.000 27.38844 -34.91309      38.60002 
1 1 1 2  8  12 o 1096.709 20.04623 85.21755       3.111314  87.63804       4.542442  83.07841       4.270284  1111.033 28.91424 1081.849 27.91473 29.18481       40.19036 
1 1 1 2  8  14 o 211.0785 39.79103 3.278809       1.145053  4.948636       1.755367  2.041985       1.510728  258.7040 49.75164 170.8302 55.00446 87.87376       74.16682 
1 1 1 2  8  16 f 658.1252 18.36859 30.74427       1.709146  29.87351       2.090454  32.49995       2.968337  648.1777 22.82470 674.7241 31.17038 -26.54645      38.63366 
1 1 1 2  8  18 f 441.0689 21.43590 13.85141       1.334029  13.50198       1.589292  14.68474       2.454354  434.8282 25.94451 451.0907 38.82354 -16.26242      46.69459 
1 1 1 2  8  20 o 222.5608 40.03077 3.648293       1.214495  3.884947       1.466144  3.130839       2.167980  228.5603 46.90045 208.2497 65.76478 20.31067       80.77536 
1 1 1 2  8  22 o 545.1761 23.36698 21.12582       1.798667  21.59869       2.136818  19.97624       3.331686  550.7849 27.50056 526.8370 45.11964 23.94788       52.83998 
1 1 1 2  8  24 o 2102.808 35.50488 315.1102       10.56592  315.1102       10.56592  0.000000       0.000000  2102.808 35.50488 ?        ?        ?              ?        
1 1 1 2  8  26 o 1147.713 33.17239 94.11148       5.382372  94.11148       5.382372  0.000000       0.000000  1147.713 33.17239 ?        ?        ?              ?        
1 1 1 2  8  28 o 379.5435 46.71494 10.56325       2.456334  10.17792       3.187535  11.12662       3.854210  367.1631 63.65023 380.4241 74.25527 -13.26096      97.80183 
1 1 1 2  8  30 f 555.2703 37.89760 22.37082       2.960226  23.61093       3.785304  20.41827       4.749744  566.5323 47.65374 517.4059 66.39460 49.12634       81.72590 
1 1 1 2  8  32 o 119.1807 56.51646 -2.631996      2.558867  0.2228891      3.280132  -7.070643      4.089991  168.6392 73.41783 130.6083 64.14015 38.03090       97.48916 
1 1 1 2  8  34 f 316.0357 64.66342 8.186735       2.794552  7.407433       3.587079  9.390064       4.457386  288.0923 83.29004 316.7086 93.21258 -28.61627      125.0033 
1 1 1 2  8  36 o 318.1918 78.20550 9.480124       3.496244  9.480124       3.496244  0.000000       0.000000  318.1918 78.20550 ?        ?        ?              ?        
1 1 1 2  8  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  9  1  o 1140.020 12.74342 91.99214       2.055977  88.36036       3.987004  93.30772       2.399634  1116.778 25.22668 1148.081 14.76906 -31.30273      29.23201 
1 1 1 2  9  3  o 2400.485 23.87272 408.1939       8.109998  400.2258       13.93399  412.2761       9.973341  2374.302 41.46865 2411.796 29.22001 -37.49390      50.72926 
1 1 1 2  9  5  o 211.0521 22.63944 3.191243       0.6656438 3.405463       0.9523220 2.986609       0.9307727 216.8472 31.99175 202.5346 33.65374 14.31262       46.43325 
1 1 1 2  9  7  o 1013.929 13.31500 72.77309       1.910594  74.26771       2.311796  69.55241       3.393571  1024.203 15.94938 990.8026 24.20193 33.40039       28.98475 
1 1 1 2  9  9  o 365.1092 14.81220 9.453308       0.7637646 9.808776       0.9098878 8.605426       1.405255  371.7751 17.34147 347.1841 28.86137 24.59097       33.67054 
1 1 1 2  9  11 o 1421.758 17.43693 143.1706       3.508452  146.5177       4.360798  137.0281       5.907543  1437.933 21.42928 1389.627 30.03923 48.30615       36.89945 
1 1 1 2  9  13 o 1218.771 17.06407 105.2450       2.943233  106.8888       3.643510  102.1578       4.993145  1227.843 20.96801 1199.219 29.42089 28.62427       36.12819 
1 1 1 2  9  15 o 870.9824 17.05504 53.78316       2.102239  54.52956       2.593065  52.35182       3.590871  876.5813 20.90265 857.1431 29.64701 19.43817       36.27487 
1 1 1 2  9  17 f 193.7401 40.81247 2.791529       1.083618  3.448510       1.353819  1.620190       1.807698  214.9247 45.90495 163.9297 59.87515 50.99496       75.44732 
1 1 1 2  9  19 o 638.2684 20.94852 28.95539       1.889678  29.28647       2.346958  28.34514       3.186332  641.1588 25.91887 628.7827 35.95714 12.37616       44.32498 
1 1 1 2  9  21 o 1375.533 21.77047 134.2193       4.237978  139.6055       5.370669  125.3308       6.899221  1401.909 27.07004 1325.642 36.81075 76.26685       45.69265 
1 1 1 2  9  23 o 1077.804 20.28936 82.37293       3.094765  82.00322       3.697869  83.23729       5.654107  1074.890 24.30904 1080.173 37.04197 -5.283447      44.30617 
1 1 1 2  9  25 f 272.9083 42.95646 5.466274       1.604295  3.622751       1.880667  10.39260       3.074322  219.6781 59.17559 373.9141 60.13634 -154.2360      84.36901 
1 1 1 2  9  27 o 544.7698 28.18565 21.21107       2.165617  18.33919       2.433180  32.15713       4.750294  505.2087 34.23388 664.3177 50.91519 -159.1090      61.35402 
1 1 1 2  9  29 o 886.2156 30.20547 56.28311       3.782767  60.14079       5.031455  51.26770       5.736991  912.2892 39.06139 837.3755 48.62011 74.91370       62.36752 
1 1 1 2  9  31 o 288.9724 67.22448 6.668030       2.697212  3.629452       3.456778  11.39713       4.312464  224.2337 82.64908 369.8261 84.27993 -145.5924      118.0423 
1 1 1 2  9  33 o 285.3221 69.53667 6.763786       2.781799  9.174177       3.580431  3.092794       4.418584  327.4834 78.31380 219.3988 89.70151 108.0846       119.0773 
1 1 1 2  9  35 o 250.7799 70.61728 5.546376       2.612145  4.025033       3.265686  8.248666       4.352379  215.6820 80.17896 285.6916 93.46693 -70.00954      123.1452 
1 1 1 2  9  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  9  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  10 0  o 2821.504 34.81989 564.2474       13.89885  564.2474       13.89885  564.2474       13.89885  2821.504 34.81989 2821.504 34.81989 -0.000000      0.000000 
1 1 1 2  10 2  o 1677.513 22.64117 199.3276       5.375076  195.4373       7.471906  203.5000       7.738091  1660.234 31.80112 1694.082 32.27599 -33.84863      45.31060 
1 1 1 2  10 4  o 2073.129 21.17974 304.4031       6.213935  294.1656       10.53006  309.8729       7.696992  2036.088 36.54385 2091.176 26.00823 -55.08728      44.85400 
1 1 1 2  10 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  10 8  o 978.6011 13.40532 67.79546       1.856533  68.92708       2.241922  65.32609       3.311793  986.6362 16.05624 959.7956 24.40153 26.84064       29.21022 
1 1 1 2  10 10 o 391.3782 14.96557 10.86232       0.8273870 11.06127       0.9738915 10.34624       1.568568  394.7981 17.47403 380.7457 29.33649 14.05246       34.14632 
1 1 1 2  10 12 o 137.0515 36.42537 1.383810       0.7185173 1.190371       0.8801899 1.770190       1.243973  130.8371 41.97132 158.2599 49.79474 -27.42278      65.12379 
1 1 1 2  10 14 o 592.6033 16.54331 24.91196       1.386058  26.64506       1.724636  21.75064       2.329274  612.5474 19.92122 552.0596 29.92550 60.48779       35.94984 
1 1 1 2  10 16 f 206.7035 33.98262 3.130199       0.9595720 3.009144       1.153189  3.402684       1.730139  201.1319 41.87650 212.7083 56.51838 -11.57649      70.34180 
1 1 1 2  10 18 o 184.2745 40.85295 2.529668       1.037416  2.552760       1.265627  2.482382       1.811086  184.7605 47.98197 186.5971 60.23748 -1.836578      77.01183 
1 1 1 2  10 20 o 228.1480 38.91599 3.816606       1.211465  4.126132       1.508399  3.254118       2.033405  235.9742 46.82128 210.7616 63.18960 25.21257       78.64577 
1 1 1 2  10 22 f 683.9267 22.84222 33.22088       2.207791  30.22493       2.592916  41.11934       4.210102  651.6794 28.18139 758.3989 39.36079 -106.7195      48.40932 
1 1 1 2  10 24 o 494.3718 39.02564 17.57753       2.708253  17.57753       2.708253  0.000000       0.000000  494.3718 39.02564 ?        ?        ?              ?        
1 1 1 2  10 26 o 669.3875 28.81095 31.99847       2.722933  29.70005       3.442006  35.84261       4.451408  642.6586 38.01509 704.0601 44.90946 -61.40155      58.83883 
1 1 1 2  10 28 o 314.8900 46.52614 7.331653       2.011012  7.255270       2.351787  7.539430       3.878789  310.5435 55.55209 308.5383 85.75263 2.005219       102.1741 
1 1 1 2  10 30 o 657.1404 33.96476 31.25376       3.147968  28.70523       3.897765  36.03434       5.338399  624.7921 44.37060 693.7050 54.82252 -68.91284      70.52843 
1 1 1 2  10 32 f 414.9162 49.99673 13.11327       2.876668  15.83469       3.759527  9.269427       4.468048  449.3247 60.67145 321.2677 92.97952 128.0570       111.0235 
1 1 1 2  10 34 o 386.3879 52.26039 11.72663       2.784500  12.88543       3.545583  9.861703       4.497946  394.5497 65.81598 319.2777 93.54581 75.27197       114.3790 
1 1 1 2  10 36 o 426.1542 52.83052 14.81372       3.118003  14.60458       4.187759  15.07387       4.670712  394.8618 77.70898 388.6039 87.08997 6.257935       116.7191 
1 1 1 2  10 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  11 1  o 1018.539 14.87189 73.44356       2.143698  72.04650       3.600212  74.21095       2.668275  1008.034 25.25663 1023.715 18.41754 -15.68121      31.25865 
1 1 1 2  11 3  o 1118.195 18.08034 88.54070       2.861171  89.60987       4.059710  87.48554       4.033037  1124.518 25.50990 1111.100 25.64834 13.41785       36.17447 
1 1 1 2  11 5  o 267.6027 21.05220 5.103870       0.7908585 5.237895       1.110489  4.965937       1.126570  270.1935 29.52134 262.8218 30.87669 7.371674       42.71861 
1 1 1 2  11 7  o 722.6015 16.44482 36.97463       1.681697  35.34811       2.337438  38.72002       2.421339  705.8775 23.43113 738.8325 23.18610 -32.95496      32.96382 
1 1 1 2  11 9  o 351.0496 14.27603 8.740433       0.7077647 8.902091       0.8196384 8.266523       1.403364  354.1572 16.39785 340.0506 29.45139 14.10666       33.70866 
1 1 1 2  11 11 o 982.2482 14.72002 68.33553       2.046206  69.32358       2.499092  66.32586       3.564152  989.1016 17.85342 966.3627 26.08517 22.73883       31.60982 
1 1 1 2  11 13 o 797.7351 15.19680 45.09512       1.715657  44.18940       2.066920  47.10160       3.076412  789.4109 18.50123 813.6338 26.75388 -24.22290      32.52792 
1 1 1 2  11 15 o 656.0095 16.79805 30.54211       1.558229  31.65754       1.939842  28.51325       2.616206  667.4003 20.56262 631.8895 29.33579 35.51080       35.82471 
1 1 1 2  11 17 o 711.9598 17.85850 35.98987       1.797949  35.16303       2.181790  37.73961       3.173857  703.1158 21.95325 726.6295 30.93495 -23.51367      37.93305 
1 1 1 2  11 19 o 781.8057 18.97756 43.34890       2.099708  42.32916       2.576730  45.36427       3.622438  771.7155 23.62129 797.4387 32.16443 -25.72327      39.90634 
1 1 1 2  11 21 o 1038.301 20.32587 76.44180       2.986705  77.73746       3.735187  74.14456       4.973568  1046.483 25.22089 1020.036 34.50313 26.44696       42.73826 
1 1 1 2  11 23 o 950.3712 21.63008 64.09811       2.909184  62.65914       3.563961  66.97144       5.036161  938.5226 26.86058 968.0798 36.82658 -29.55725      45.58166 
1 1 1 2  11 25 o 782.3228 40.93240 44.04467       4.516058  44.04467       4.516058  0.000000       0.000000  782.3228 40.93240 ?        ?        ?              ?        
1 1 1 2  11 27 o 574.1235 35.15678 23.71678       2.842803  21.62974       3.569380  27.33703       4.701062  544.6875 46.75669 609.5018 55.09491 -64.81427      72.26090 
1 1 1 2  11 29 o 237.1716 59.40163 4.351179       1.989277  3.548311       2.313439  6.629057       3.896738  216.0910 67.89410 286.5684 87.80477 -70.47734      110.9923 
1 1 1 2  11 31 f 631.6817 36.05438 29.19564       3.209732  32.00977       4.146994  24.99094       5.069081  655.6313 44.96675 564.2497 64.64602 91.38159       78.74717 
1 1 1 2  11 33 o 436.7320 46.29862 14.54602       2.818025  16.37635       3.599080  11.64602       4.530288  455.5014 57.08185 356.1478 89.89070 99.35361       106.4832 
1 1 1 2  11 35 o 144.4090 64.19421 0.1383004      2.631619  1.485944       3.515966  -1.578395      3.968294  175.8519 76.28934 153.4408 72.02963 22.41106       104.9206 
1 1 1 2  11 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  12 0  o 372.1009 29.93738 9.996664       1.552294  9.996664       1.552294  9.996664       1.552294  372.1009 29.93738 372.1009 29.93738 -0.000000      0.000000 
1 1 1 2  12 2  o 472.9186 17.62748 15.85976       1.177703  16.43748       1.670933  15.28946       1.660165  480.9860 24.62948 463.7778 25.39111 17.20822       35.37400 
1 1 1 2  12 4  o 812.7104 16.80483 46.77169       1.932812  45.75376       2.679528  47.87582       2.790678  803.1842 23.59905 821.5803 24.02740 -18.39612      33.67834 
1 1 1 2  12 6  f 720.5648 16.49757 36.76899       1.682336  36.75171       2.382551  36.78617       2.375828  719.7255 23.42256 720.0695 23.34507 -0.3439331     33.06976 
1 1 1 2  12 8  o 917.8533 17.39206 59.67546       2.259145  60.84269       3.242215  58.57394       3.149622  925.9547 24.76409 908.5401 24.51838 17.41455       34.84840 
1 1 1 2  12 10 o 689.7250 13.28680 33.68961       1.296929  33.93443       1.544737  33.10484       2.387405  692.1111 15.77099 682.5804 24.75554 9.530701       29.35235 
1 1 1 2  12 12 o 285.5855 20.32401 5.815165       0.8160521 5.640795       0.9765055 6.218889       1.485873  280.7147 24.83643 293.0074 36.63111 -12.29263      44.25705 
1 1 1 2  12 14 o 644.4082 16.13601 29.46528       1.470399  30.01389       1.811677  28.40633       2.517025  649.9437 19.71914 630.9086 28.26215 19.03516       34.46148 
1 1 1 2  12 16 o 438.1374 19.30870 13.65505       1.194305  15.84603       1.529020  10.22663       1.912674  471.5550 22.98110 376.2488 36.37385 95.30621       43.02543 
1 1 1 2  12 18 o 476.4753 21.34252 16.14704       1.435497  14.78573       1.729426  19.16250       2.573955  455.1907 26.96743 516.9873 35.39396 -61.79663      44.49690 
1 1 1 2  12 20 o 912.4440 19.24373 59.02471       2.484936  57.46619       3.024130  62.26454       4.360177  899.5529 23.77578 934.8435 33.00863 -35.29065      40.67994 
1 1 1 2  12 22 o 778.2934 21.51680 43.01051       2.367685  43.22789       2.949311  42.61647       3.970903  779.5250 26.77416 772.2382 36.43717 7.286804       45.21640 
1 1 1 2  12 24 o 557.3128 33.29353 22.25550       2.613933  20.81818       3.829655  23.50916       3.576623  534.3587 51.26982 570.0630 44.69036 -35.70428      68.01340 
1 1 1 2  12 26 o 268.8114 50.21807 5.400723       1.840182  5.628129       2.286495  4.982623       3.100353  271.9346 60.92757 256.0151 78.29667 15.91946       99.20956 
1 1 1 2  12 28 o 129.4019 58.48029 -1.030251      2.284567  -1.365394      3.132356  -0.6493634     3.339296  150.6381 68.23782 163.8997 72.61476 -13.26155      99.64589 
1 1 1 2  12 30 o 421.9593 39.24278 13.11920       2.316560  14.18042       2.734984  10.42485       4.357907  436.2077 44.94654 349.2759 88.16814 86.93176       98.96369 
1 1 1 2  12 32 o 186.0854 69.58882 2.456319       2.467170  1.755753       3.099644  3.667469       4.075550  182.9106 74.99638 222.8012 87.82746 -39.89059      115.4908 
1 1 1 2  12 34 o 341.6114 56.88096 9.530090       2.653262  11.26354       3.308520  6.406292       4.441396  363.1949 66.83051 252.6137 93.58019 110.5812       114.9938 
1 1 1 2  12 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  12 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  13 1  o 104.0087 37.51495 0.6387018      0.7066571 0.4542831      1.180324  0.7417360      0.8822458 116.8052 46.86323 114.1839 41.80947 2.621323       62.80283 
1 1 1 2  13 3  o 165.1487 36.68158 2.013734       0.8350167 1.773755       1.135080  2.296785       1.232740  157.1349 47.23422 176.6962 48.04300 -19.56136      67.37360 
1 1 1 2  13 5  o 103.1186 29.64129 0.7711496      0.4555345 0.9122245E-01  1.116856  0.9068347      0.4989212 105.0802 44.20548 111.3469 30.68169 -6.266708      53.80976 
1 1 1 2  13 7  o 105.6604 24.47827 0.8236234      0.3588391 1.840963       1.090631  0.7001228      0.3799961 158.9691 45.91634 97.78974 26.70892 61.17933       53.11945 
1 1 1 2  13 9  o 183.3576 20.15519 2.412425       0.5143910 2.654720       0.5637221 1.206985       1.257378  192.3376 21.05362 140.2850 50.10938 52.05257       54.35260 
1 1 1 2  13 11 o 589.6447 13.74979 24.63276       1.147377  24.55748       1.344603  24.83440       2.200627  588.3822 16.16316 590.4826 26.40093 -2.100403      30.95572 
1 1 1 2  13 13 o 467.4755 16.16443 15.51562       1.067788  14.77052       1.271317  17.30010       1.967438  455.7144 19.75944 492.0054 28.37643 -36.29099      34.57827 
1 1 1 2  13 15 o 435.9253 18.52195 13.51283       1.140060  14.16976       1.413048  12.28774       1.929647  445.9100 22.46421 413.3396 33.26841 32.57037       40.14260 
1 1 1 2  13 17 o 650.4927 18.26330 30.03838       1.679621  28.16666       1.972064  34.98296       3.205274  629.3961 22.17463 699.6896 32.45824 -70.29358      39.30968 
1 1 1 2  13 19 o 220.9350 37.03785 3.572004       1.117110  4.080924       1.394381  2.659984       1.866633  235.3197 43.47099 193.1192 61.02795 42.20056       74.92754 
1 1 1 2  13 21 o 352.2419 28.59529 8.876682       1.413212  7.175936       1.677110  13.04167       2.624514  314.8878 38.42969 424.7702 44.30992 -109.8824      58.65330 
1 1 1 2  13 23 o 362.9096 32.73225 9.472350       1.663052  7.615807       1.910652  15.27530       3.377951  323.0442 42.84829 456.6599 53.26772 -133.6157      68.36246 
1 1 1 2  13 25 o 538.8266 45.46176 21.09824       3.434379  21.09824       3.434379  0.000000       0.000000  538.8266 45.46176 ?        ?        ?              ?        
1 1 1 2  13 27 o 604.6647 29.82316 26.22638       2.544170  23.63561       3.142276  31.15700       4.334917  571.1364 39.11237 652.7643 47.24474 -81.62793      61.33386 
1 1 1 2  13 29 o 583.0155 33.90427 24.67038       2.785329  23.78794       3.447373  26.32949       4.726973  568.0509 43.20673 589.0107 57.43627 -20.95978      71.87312 
1 1 1 2  13 31 o 171.4650 64.43435 1.955673       2.120626  2.648852       2.521265  0.2794741      3.920657  191.5247 70.58628 179.4295 79.12516 12.09518       106.0340 
1 1 1 2  13 33 o 398.8035 51.27709 12.50947       2.827131  13.91224       3.659037  10.43161       4.453295  408.7642 65.46013 327.2620 92.22250 81.50214       113.0930 
1 1 1 2  13 35 o 159.8405 67.81674 1.378015       2.665401  0.7545782      3.702007  2.049043       3.840709  166.8698 75.01319 182.3596 79.41685 -15.48982      109.2429 
1 1 1 2  13 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  14 0  o 815.9518 26.74543 47.31996       3.080878  47.31996       3.080878  47.31996       3.080878  815.9518 26.74543 815.9518 26.74543 0.000000       0.000000 
1 1 1 2  14 2  o 427.4719 20.07106 12.97699       1.210830  13.41365       1.692305  12.51899       1.733172  433.9264 27.70236 418.9580 29.41850 14.96838       40.40878 
1 1 1 2  14 4  o 414.9285 19.77785 12.22830       1.158030  11.34697       1.584732  13.23817       1.696366  398.8478 28.25855 430.9909 27.96292 -32.14307      39.75514 
1 1 1 2  14 6  o 827.2525 12.66498 48.45918       1.482731  51.43710       3.023921  47.51659       1.701287  851.0323 25.13511 819.0674 14.67703 31.96497       29.10651 
1 1 1 2  14 8  o 471.0094 12.13016 15.72133       0.8078936 16.39137       1.772191  15.54555       0.9076999 479.6797 26.20548 468.2708 13.71177 11.40887       29.57599 
1 1 1 2  14 10 o 682.6121 10.94188 32.99945       1.057027  32.42654       1.421986  33.70695       1.580227  676.4186 14.85457 689.5426 16.19342 -13.12396      21.97465 
1 1 1 2  14 12 o 641.8768 14.27692 29.20513       1.296899  28.03833       1.505793  32.55717       2.552236  628.4713 16.94558 675.7018 26.74265 -47.23059      31.65947 
1 1 1 2  14 14 o 408.1883 17.91868 11.84769       1.032587  11.12639       1.232660  13.54464       1.890681  395.0247 22.13811 434.5079 30.94949 -39.48318      38.05215 
1 1 1 2  14 16 o 491.1747 18.48450 17.13988       1.282590  17.69336       1.581893  16.07790       2.191223  498.5804 22.47710 473.5974 32.89770 24.98306       39.84318 
1 1 1 2  14 18 o 170.1633 43.40247 2.149582       1.048365  1.757319       1.265739  3.006641       1.870946  157.9214 50.29638 202.7416 60.57256 -44.82016      78.73222 
1 1 1 2  14 20 o 835.4543 19.23963 49.49002       2.274779  50.25724       2.835223  48.10376       3.811096  841.1138 23.84246 821.4310 32.85003 19.68280       40.59048 
1 1 1 2  14 22 o 697.8330 21.23714 34.60723       2.094892  35.66915       2.613216  32.69752       3.504393  707.6904 26.13720 675.3537 36.80495 32.33673       45.14153 
1 1 1 2  14 24 o 1762.209 24.22062 220.9745       6.040357  224.8332       7.589959  214.3089       9.975599  1774.766 30.21889 1726.554 40.82620 48.21204       50.79330 
1 1 1 2  14 26 o 822.3845 43.21016 49.06129       5.011343  49.06129       5.011343  0.000000       0.000000  822.3845 43.21016 ?        ?        ?              ?        
1 1 1 2  14 28 o 152.5706 66.17265 -0.3190493E-02 2.643934  0.3793099      3.767704  -0.3742870     3.711114  183.5199 79.29489 173.7628 76.78835 9.757172       110.3818 
1 1 1 2  14 30 o 414.1167 42.09042 12.81134       2.432517  13.70042       3.015996  11.15653       4.114669  423.0860 51.42610 360.7632 82.40399 62.32281       97.13425 
1 1 1 2  14 32 o 140.7673 58.77293 0.7079561      1.951582  1.857499       2.375814  -1.676937      3.422033  170.8314 67.14352 146.9461 68.28601 23.88524       95.76655 
1 1 1 2  14 34 o 133.7077 61.28414 -0.6527444     2.622641  -5.225413      3.550871  4.835831       3.890271  120.5608 59.31639 221.1045 86.20713 -100.5437      104.6427 
1 1 1 2  14 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  15 1  o 628.8342 19.73307 28.05628       1.753932  27.92288       2.405037  28.20784       2.563400  626.5803 27.18692 629.5746 28.84730 -2.994324      39.63956 
1 1 1 2  15 3  o 1003.232 18.77277 71.33636       2.665322  71.16354       3.745311  71.51369       3.793827  1000.854 26.46540 1003.273 26.74399 -2.418945      37.62524 
1 1 1 2  15 5  o 644.3552 12.99124 29.40600       1.184665  30.98266       2.395004  28.89528       1.363098  660.0363 25.68909 638.6342 15.08187 21.40216       29.78912 
1 1 1 2  15 7  o 182.2393 21.06238 2.387743       0.5332262 2.722455       1.305487  2.320720       0.5841777 191.0891 48.26791 179.2594 23.60003 11.82971       53.72850 
1 1 1 2  15 9  o 105.2271 26.19779 0.8186406      0.3886134 1.059335       0.5168557 0.5056024      0.5894332 119.6469 30.45214 93.58043 34.18858 26.06644       45.78419 
1 1 1 2  15 11 o 608.8955 11.38102 26.26542       0.9807174 27.20007       1.355508  25.23874       1.420673  619.3275 15.46543 596.2238 16.85392 23.10364       22.87431 
1 1 1 2  15 13 o 213.3225 25.92181 3.287309       0.7665246 3.214510       0.8949963 3.487692       1.484878  209.9818 31.05276 215.3399 49.72829 -5.358047      58.62744 
1 1 1 2  15 15 o 509.2984 17.33734 18.41854       1.247789  17.52695       1.488593  20.52525       2.288215  496.3632 21.24035 535.8174 30.29937 -39.45422      37.00276 
1 1 1 2  15 17 o 721.4712 17.40147 36.89708       1.776744  36.74112       2.180729  37.20505       3.064325  719.2999 21.44654 722.6071 30.03034 -3.307190      36.90224 
1 1 1 2  15 19 o 369.4313 25.16657 9.735449       1.307906  11.06681       1.616856  7.215043       2.224633  393.4769 29.24480 312.9998 52.04929 80.47711       59.70249 
1 1 1 2  15 21 o 127.3043 48.03755 0.8566542      1.181366  0.3727787      1.436668  1.867010       2.075997  123.9171 50.96001 175.8018 64.17207 -51.88464      81.94497 
1 1 1 2  15 23 o 531.1372 25.40950 20.12937       1.904413  21.36111       2.436635  18.19581       3.052869  545.9494 31.67283 500.8335 43.50311 45.11588       53.81160 
1 1 1 2  15 25 f 878.4869 23.63333 55.00581       2.935521  56.59452       3.720690  52.38626       4.777643  889.2733 29.60563 851.6813 39.74809 37.59192       49.56213 
1 1 1 2  15 27 o 100.2496 49.30215 -4.804505      2.444579  -6.825543      3.753018  -3.315123      3.221784  125.5976 61.63116 134.2530 63.59106 -8.655373      88.55633 
1 1 1 2  15 29 o 330.2991 63.45645 8.704675       2.858448  5.090836       4.317109  11.52578       3.814330  250.2143 92.33894 373.7534 74.72652 -123.5390      118.7878 
1 1 1 2  15 31 o 303.2354 54.90738 7.313699       2.269571  8.689429       2.858599  4.967732       3.732911  324.7951 64.46578 238.7493 86.20875 86.04582       107.6466 
1 1 1 2  15 33 o 292.7735 65.87780 7.502891       2.663365  9.305802       3.695265  5.553789       3.842163  309.3500 82.78096 236.1051 87.11526 73.24489       120.1739 
1 1 1 2  15 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  15 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  16 0  o 394.4351 34.69007 11.29898       1.900438  11.29898       1.900438  11.29898       1.900438  394.4351 34.69007 394.4351 34.69007 -0.000000      0.000000 
1 1 1 2  16 2  o 497.9522 28.96392 17.69099       2.032292  17.69099       2.032292  0.000000       0.000000  497.9522 28.96392 ?        ?        ?              ?        
1 1 1 2  16 4  o 68.59055 32.83407 -1.265746      0.9065045 -0.5214626     1.274224  -2.028457      1.289902  99.38670 44.39292 79.15805 38.21680 20.22865       58.57692 
1 1 1 2  16 6  o 279.9829 27.76089 5.632323       1.085511  4.922598       1.510657  6.390006       1.560862  258.7336 42.74810 296.5749 38.06526 -37.84125      57.23954 
1 1 1 2  16 8  f 171.6616 22.30840 2.128623       0.5291459 2.011154       1.295645  2.152138       0.5796943 166.2635 50.56931 172.2736 24.46427 -6.010040      56.17611 
1 1 1 2  16 10 f 104.3344 29.71972 0.7957848      0.4599697 0.9919036      0.6458374 0.5939041      0.6552558 117.3998 35.70221 99.81774 36.10846 17.58206       50.77863 
1 1 1 2  16 12 o 827.4932 12.10036 48.52118       1.417042  48.65443       1.942139  48.36948       2.072174  828.1176 16.57176 825.5304 17.73672 2.587158       24.27374 
1 1 1 2  16 14 o 382.5841 18.34629 10.40817       0.9904383 9.649323       1.155625  12.50802       1.922363  367.8956 22.30062 417.4278 32.80466 -49.53217      39.66690 
1 1 1 2  16 16 o 596.3506 17.05409 25.22879       1.437818  23.80989       1.708065  28.67907       2.663523  578.9510 20.88116 634.2770 29.75569 -55.32593      36.35139 
1 1 1 2  16 18 o 421.4841 21.82553 12.63753       1.297431  12.17214       1.578261  13.60758       2.278610  413.0194 27.15212 435.2669 37.35165 -22.24750      46.17773 
1 1 1 2  16 20 o 276.0897 33.35831 5.514222       1.276996  5.132553       1.566764  6.269531       2.204052  264.2122 43.40772 289.8085 55.76321 -25.59625      70.66658 
1 1 1 2  16 22 f 526.7720 24.45676 19.78864       1.818254  19.96864       2.276231  19.47128       3.022380  528.0191 30.59219 518.7581 41.51466 9.260986       51.56887 
1 1 1 2  16 24 o 1002.103 22.33143 71.46671       3.167004  66.40086       3.795590  83.07623       5.745926  964.0138 27.85042 1074.064 37.86082 -110.0499      47.00093 
1 1 1 2  16 26 o 220.0290 77.67197 3.469440       3.013083  3.469440       3.013083  0.000000       0.000000  220.0290 77.67197 ?        ?        ?              ?        
1 1 1 2  16 28 o 173.0140 62.70419 2.061048       1.977192  -0.6237123     2.446352  7.118261       3.357545  137.0165 61.33350 290.7380 79.38567 -153.7215      100.3189 
1 1 1 2  16 30 o 240.9537 71.82745 4.932409       2.633101  1.508336       3.675791  8.541267       3.773672  187.2273 79.54621 308.2622 84.15770 -121.0349      115.8021 
1 1 1 2  16 32 o 130.4299 57.79185 -0.6507272E-01 2.115645  -1.147987      2.525105  2.485750       3.875455  127.9891 59.19187 194.3734 82.08860 -66.38424      101.2038 
1 1 1 2  16 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  16 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  17 1  o 494.9049 22.15303 17.43044       1.547649  18.33004       2.166680  16.49331       2.211418  506.2998 30.37870 479.7471 32.76830 26.55273       44.68364 
1 1 1 2  17 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  17 5  o 207.4052 23.92513 3.098640       0.6893980 5.342950       1.500948  2.498580       0.7761071 270.0522 40.52256 184.7572 30.76378 85.29500       50.87718 
1 1 1 2  17 7  o 409.6897 14.50299 11.91501       0.8395504 11.57244       1.863244  12.00228       0.9404268 401.0287 33.12546 411.0267 16.19893 -9.998047      36.87413 
1 1 1 2  17 9  f 227.3195 14.48026 3.678827       0.4634141 2.872874       0.6241477 4.668946       0.6917931 199.7569 22.46742 255.6855 19.25994 -55.92854      29.59274 
1 1 1 2  17 11 o 330.3033 13.68051 7.747019       0.6381078 8.085789       0.8780418 7.367828       0.9289500 336.9853 18.48206 321.3855 20.53162 15.59976       27.62489 
1 1 1 2  17 13 o 577.9505 12.65285 23.66483       1.034901  23.89188       1.405046  23.39556       1.530075  580.1696 17.13136 573.9163 18.86405 6.253296       25.48207 
1 1 1 2  17 15 o 345.2091 20.83705 8.485004       1.013238  8.054259       1.189839  9.621638       1.932806  335.8022 25.22145 365.2578 37.94340 -29.45554      45.56120 
1 1 1 2  17 17 o 293.0439 25.74144 6.146054       1.056706  6.087739       1.279983  6.270865       1.872563  290.8000 31.61012 292.3461 46.84159 -1.546082      56.50960 
1 1 1 2  17 19 f 330.1175 27.19069 7.804711       1.259055  8.295900       1.547222  6.841855       2.166254  339.5578 32.59720 303.8740 52.25643 35.68381       61.58987 
1 1 1 2  17 21 o 389.4857 28.61092 10.87537       1.566036  9.225169       1.946621  13.90265       2.636572  356.3932 39.24390 437.3567 43.15942 -80.96350      58.33369 
1 1 1 2  17 23 o 582.7388 24.38850 24.23426       2.006863  23.39499       2.463866  25.88867       3.459281  571.1510 30.59385 597.7662 41.14259 -26.61517      51.27081 
1 1 1 2  17 25 o 149.4000 58.74294 1.061262       1.819122  1.298322       2.284286  0.6502731      3.007716  165.6558 65.61086 171.8654 72.43571 -6.209641      97.73288 
1 1 1 2  17 27 f 129.7067 61.78987 -3.347368      3.129182  -3.347368      3.129182  0.000000       0.000000  129.7067 61.78987 ?        ?        ?              ?        
1 1 1 2  17 29 o 121.8353 55.05031 -0.6876656     2.023313  0.1338158E-01  2.574584  -1.819933      3.271959  146.7052 64.42719 143.6828 66.77032 3.022476       92.78545 
1 1 1 2  17 31 o 268.2276 59.52155 5.999224       2.200373  5.031493       2.681494  7.994059       3.849931  237.3957 72.85625 286.6644 87.16689 -49.26868      113.6050 
1 1 1 2  17 33 o 279.0852 57.69150 6.720177       2.203266  8.505474       2.755623  3.556150       3.668466  307.2379 65.38538 197.4385 81.33797 109.7994       104.3605 
1 1 1 2  17 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  18 0  f 221.7843 61.93115 4.246314       1.681845  4.246314       1.681845  4.246314       1.681845  221.7843 61.93115 221.7843 61.93115 0.000000       0.000000 
1 1 1 2  18 2  o 193.9490 55.53007 2.806980       1.601799  2.806980       1.601799  0.000000       0.000000  193.9490 55.53007 ?        ?        ?              ?        
1 1 1 2  18 4  o 518.0497 20.82807 19.10115       1.523891  21.29759       2.232358  17.18445       2.085359  545.6285 29.01424 489.7140 30.23721 55.91452       41.90602 
1 1 1 2  18 6  f 358.0532 16.76585 9.117022       0.8471988 8.876736       1.778058  9.187595       0.9636146 350.0475 36.42419 359.1834 19.02475 -9.135925      41.09334 
1 1 1 2  18 8  f 191.1331 24.77772 2.643819       0.6544620 1.093618       1.426313  3.057245       0.7365801 140.6694 52.84748 205.5712 25.89158 -64.90179      58.84922 
1 1 1 2  18 10 o 524.2071 11.02351 19.46635       0.8177914 19.17324       1.120374  19.80062       1.196432  519.7563 15.24801 528.1164 16.02661 -8.360046      22.12135 
1 1 1 2  18 12 o 466.8489 12.65365 15.45151       0.8352404 15.50034       1.147925  15.39658       1.217565  467.1916 17.39232 465.5113 18.51866 1.680328       25.40539 
1 1 1 2  18 14 o 541.8699 13.68420 20.81357       1.048544  20.81769       1.423569  20.80868       1.550246  541.5190 18.60332 541.2366 20.27506 0.2824707      27.51657 
1 1 1 2  18 16 o 677.1165 16.56874 32.49552       1.587715  32.82710       1.908774  31.75095       2.860347  680.0337 19.85498 667.3569 30.36548 12.67682       36.28061 
1 1 1 2  18 18 o 317.0016 25.96323 7.193917       1.154573  6.938291       1.394212  7.751818       2.059706  310.2961 32.21758 325.3421 46.01790 -15.04599      56.17490 
1 1 1 2  18 20 o 669.1302 20.59266 31.84287       1.947716  33.51134       2.468940  29.09337       3.169401  685.5402 25.49265 636.3997 35.32932 49.14056       43.56646 
1 1 1 2  18 22 o 755.4557 21.87253 40.64006       2.335987  41.83063       2.918313  38.51677       3.897280  765.1971 26.99103 730.8565 37.80842 34.34058       46.45420 
1 1 1 2  18 24 o 396.7792 33.48966 11.40185       1.862985  11.71558       2.290169  10.78811       3.203172  399.9838 41.03952 375.5601 62.46012 24.42368       74.73626 
1 1 1 2  18 26 o 204.5233 68.88725 3.184608       2.359990  4.856940       3.155909  1.063036       3.554610  244.8068 79.55617 185.3522 78.46418 59.45462       111.7399 
1 1 1 2  18 28 o 164.8198 62.37262 1.783661       1.994938  2.495833       2.516102  0.5780891      3.273649  187.2179 70.22125 169.5019 73.57351 17.71605       101.7059 
1 1 1 2  18 30 f 241.1071 71.52431 5.122782       2.615948  2.561209       3.777324  7.483635       3.626314  197.2018 82.00568 281.2253 84.40120 -84.02345      117.6796 
1 1 1 2  18 32 o 153.0328 61.26793 1.596576       2.013016  2.101353       2.474673  0.6092686      3.460940  168.0171 67.70055 160.6110 72.33635 7.406052       99.07529 
1 1 1 2  18 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  19 1  o 625.4976 22.00496 27.85774       1.944863  27.78402       2.687670  27.93878       2.817849  622.8733 30.58344 624.2580 32.00263 -1.384705      44.26641 
1 1 1 2  19 3  o 239.5286 51.39124 4.322553       1.689883  4.322553       1.689883  0.000000       0.000000  239.5286 51.39124 ?        ?        ?              ?        
1 1 1 2  19 5  o 155.7910 35.28294 1.807581       0.7597809 1.759792       1.534691  1.823097       0.8744646 161.5402 55.53204 156.2507 39.52414 5.289429       68.16132 
1 1 1 2  19 7  o 117.4187 37.67957 0.9665632      0.7093435 0.3824934      1.475716  1.142062       0.8089240 125.1109 51.56973 126.9285 40.18284 -1.817566      65.37659 
1 1 1 2  19 9  o 427.3862 15.13379 12.96654       0.9139068 11.97650       1.925867  13.25428       1.038256  408.0846 33.64561 431.9268 17.01867 -23.84219      37.70493 
1 1 1 2  19 11 o 334.1175 13.90284 7.923573       0.6559528 7.260421       0.8951108 8.692781       0.9640335 319.2655 19.91004 349.4878 19.56944 -30.22232      27.91724 
1 1 1 2  19 13 o 758.9851 12.52438 40.80073       1.345269  42.20137       1.877250  39.32212       1.928792  771.5796 17.19181 744.7051 18.30127 26.87451       25.10966 
1 1 1 2  19 15 o 282.6635 20.97318 5.699968       0.8330064 5.104015       1.127033  6.417528       1.236686  266.1006 30.47674 298.9033 29.62474 -32.80264      42.50243 
1 1 1 2  19 17 f 201.2411 38.32634 2.992271       1.051675  3.334409       1.251165  2.168555       1.941347  211.8150 43.20417 180.3774 62.43792 31.43753       75.92822 
1 1 1 2  19 19 o 422.6541 23.51468 12.74920       1.400969  12.15981       1.689102  14.04847       2.507859  411.7790 29.17380 440.1375 40.72364 -28.35855      50.09517 
1 1 1 2  19 21 o 193.1427 50.38034 2.817331       1.391235  3.179141       1.714594  2.120034       2.380293  204.9427 57.03393 185.5346 68.54816 19.40808       89.17242 
1 1 1 2  19 23 f 204.3280 55.62439 3.193055       1.651308  1.948325       2.097826  5.220557       2.677396  175.4232 64.43185 257.7497 71.09592 -82.32651      95.94839 
1 1 1 2  19 25 o 162.5917 59.72084 1.721156       1.802294  2.318432       2.160798  0.3556352      3.267203  182.4742 65.62823 170.7378 73.80643 11.73640       98.76464 
1 1 1 2  19 27 o 144.4393 66.17690 -1.221169      3.054095  -1.221169      3.054095  0.000000       0.000000  144.4393 66.17690 ?        ?        ?              ?        
1 1 1 2  19 29 f 368.9565 42.11481 10.39701       2.159686  9.499720       2.636434  12.22736       3.765460  343.0864 56.24658 374.7501 73.62715 -31.66370      92.65331 
1 1 1 2  19 31 o 154.1709 64.25217 1.370212       2.326201  2.693965       3.297056  0.5813534E-01  3.282482  185.3347 76.80324 153.0132 69.52718 32.32155       103.5991 
1 1 1 2  19 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  19 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  20 0  o 83.83891 56.12230 -0.6318940     1.847967  -0.6318940     1.847967  -0.6318940     1.847967  83.83891 56.12230 83.83891 56.12230 -0.000000      0.000000 
1 1 1 2  20 2  o 304.1133 46.14761 6.828513       1.923827  6.828513       1.923827  0.000000       0.000000  304.1133 46.14761 ?        ?        ?              ?        
1 1 1 2  20 4  o 210.1293 55.57686 3.334407       1.677859  3.334407       1.677859  0.000000       0.000000  210.1293 55.57686 ?        ?        ?              ?        
1 1 1 2  20 6  o 130.3851 39.76140 1.225068       0.8003017 0.7339218      1.649882  1.376185       0.9151770 138.8011 55.50198 138.3097 42.58403 0.4914551      69.95620 
1 1 1 2  20 8  o 220.5766 27.14888 3.513638       0.8296239 2.731993       1.698349  3.758611       0.9507817 192.7896 57.73735 227.7207 30.25000 -34.93109      65.18178 
1 1 1 2  20 10 o 418.1127 15.88993 12.40871       0.9385208 13.46795       1.986577  12.10437       1.064846  433.5442 32.61734 412.7371 18.27561 20.80713       37.38835 
1 1 1 2  20 12 o 680.3932 11.99302 32.78616       1.154804  32.70053       1.608462  32.87726       1.658988  679.2225 16.73321 680.8035 17.23260 -1.581055      24.02005 
1 1 1 2  20 14 o 532.1758 13.80091 20.07886       1.038523  20.30595       1.435549  19.82951       1.504244  534.7192 19.00043 528.2796 20.15729 6.439575       27.70077 
1 1 1 2  20 16 o 311.6148 21.02643 6.927691       0.9218352 7.163775       1.262038  6.657661       1.349718  315.8400 28.54258 303.8180 31.86490 12.02200       42.77909 
1 1 1 2  20 18 o 321.5098 28.46791 7.432330       1.281925  6.861269       1.502137  8.963022       2.459304  307.4963 35.14906 347.6844 51.53949 -40.18811      62.38409 
1 1 1 2  20 20 o 360.7035 28.05573 9.348335       1.420906  7.795635       1.702311  12.91518       2.580103  327.1375 37.44340 420.1938 44.04139 -93.05624      57.80703 
1 1 1 2  20 22 o 154.1768 55.25937 1.538474       1.530474  2.908561       1.917332  -0.8675826     2.540833  197.0298 61.79540 139.1006 62.36824 57.92923       87.79789 
1 1 1 2  20 24 o 407.3731 36.94770 12.17590       2.106955  12.64326       2.623546  11.32690       3.536038  411.3443 45.84581 377.1205 68.78854 34.22382       82.66621 
1 1 1 2  20 26 o 145.3195 57.51263 1.116872       1.753959  1.882797       2.163313  -0.3525338     2.996381  169.7847 64.78641 152.4866 68.09557 17.29808       93.99088 
1 1 1 2  20 28 o 137.8053 63.91730 -1.431161      2.976542  -1.431161      2.976542  0.000000       0.000000  137.8053 63.91730 ?        ?        ?              ?        
1 1 1 2  20 30 o 349.2664 43.70683 9.615049       2.113193  9.652414       2.533016  9.529509       3.832606  341.0193 54.30494 304.5208 85.46311 36.49850       101.2570 
1 1 1 2  20 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  20 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  21 1  o 490.8627 25.99836 17.19809       1.799593  17.43580       2.479560  16.93350       2.615929  492.3591 35.83071 484.5800 38.46053 7.779114       52.56474 
1 1 1 2  21 3  o 377.2844 38.77035 10.30265       2.040659  10.30265       2.040659  0.000000       0.000000  377.2844 38.77035 ?        ?        ?              ?        
1 1 1 2  21 5  o 427.5559 18.95842 12.99657       1.144283  14.54132       2.312645  12.49578       1.316766  449.5399 36.66967 418.8373 22.29518 30.70255       42.91550 
1 1 1 2  21 7  o 327.1920 21.08378 7.630000       0.9710755 7.456949       1.895959  7.691540       1.130634  319.8207 42.97594 328.1006 24.52727 -8.279938      49.48251 
1 1 1 2  21 9  o 365.3230 18.68377 9.489502       0.9627569 9.222992       1.968735  9.573269       1.103736  357.1090 39.62129 366.6659 21.36289 -9.556854      45.01355 
1 1 1 2  21 11 o 601.1492 12.10561 25.59524       1.029885  24.39398       1.396694  27.02670       1.524661  586.3763 16.84828 617.1735 17.47364 -30.79724      24.27329 
1 1 1 2  21 13 o 536.3215 13.17179 20.37920       0.9997463 21.27651       1.390020  19.41759       1.438959  547.4128 17.96699 522.7648 19.48421 24.64795       26.50372 
1 1 1 2  21 15 o 147.0135 36.94206 1.608301       0.7675589 1.758240       1.081213  1.455964       1.089823  154.9863 45.98426 144.1128 46.74464 10.87349       65.57144 
1 1 1 2  21 17 o 381.4329 19.83409 10.36671       1.066979  10.08165       1.466022  10.68778       1.555853  374.8742 27.83201 385.8754 28.69601 -11.00125      39.97602 
1 1 1 2  21 19 o 287.5943 33.03519 6.007432       1.320164  4.238710       1.549690  10.68718       2.520730  237.4000 47.78164 380.4544 47.87464 -143.0544      67.63924 
1 1 1 2  21 21 o 280.1149 50.69769 5.931474       1.935791  5.931474       1.935791  0.000000       0.000000  280.1149 50.69769 ?        ?        ?              ?        
1 1 1 2  21 23 o 214.7879 57.12848 3.618604       1.766574  4.031573       2.137354  2.728251       3.138334  225.3352 64.02421 203.8314 77.96970 21.50375       100.8879 
1 1 1 2  21 25 o 161.7511 59.98678 1.774189       1.825919  0.8204724      2.235520  3.685545       3.164752  150.8363 62.93452 215.7791 79.15741 -64.94286      101.1269 
1 1 1 2  21 27 o 230.8825 74.26890 4.700320       2.754706  4.700320       2.754706  0.000000       0.000000  230.8825 74.26890 ?        ?        ?              ?        
1 1 1 2  21 29 f 118.2432 52.97138 -0.2344725     1.828629  -0.8140863     2.170611  1.182653       3.394040  120.3486 55.37842 168.1414 73.90274 -47.79280      92.34925 
1 1 1 2  21 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  21 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  22 0  o 166.1694 77.55184 2.909434       2.032043  2.909434       2.032043  2.909434       2.032043  166.1694 77.55184 166.1694 77.55184 -0.000000      0.000000 
1 1 1 2  22 2  o 218.4128 60.57425 3.569917       1.937699  3.569917       1.937699  0.000000       0.000000  218.4128 60.57425 ?        ?        ?              ?        
1 1 1 2  22 4  o 335.6914 45.18393 8.225200       2.092108  8.225200       2.092108  0.000000       0.000000  335.6914 45.18393 ?        ?        ?              ?        
1 1 1 2  22 6  o 107.6108 41.64832 0.5331206      0.9028415 3.235690       1.878465  -0.2787161     1.029554  208.9200 60.23461 92.35390 40.64360 116.5661       72.66437 
1 1 1 2  22 8  o 362.2135 20.61165 9.339020       1.052207  10.04317       2.104495  9.104328       1.214968  372.6352 40.56034 357.2158 24.17577 15.41934       47.21873 
1 1 1 2  22 10 f 344.9233 19.46247 8.467024       0.9461824 9.935679       2.038382  8.063669       1.068240  370.7182 39.45834 336.2387 22.58014 34.47952       45.46233 
1 1 1 2  22 12 o 349.5009 15.46215 8.677213       0.7628896 9.270541       1.059336  8.037963       1.099566  360.7209 20.83989 335.4940 23.30368 25.22693       31.26279 
1 1 1 2  22 14 o 250.6209 22.70252 4.503412       0.7964882 4.961060       1.092072  3.983323       1.164193  261.9449 29.99982 233.0356 36.49781 28.90927       47.24489 
1 1 1 2  22 16 f 386.7222 18.59576 10.64880       1.014748  11.78903       1.439980  9.523982       1.430211  405.9310 25.19008 364.1958 27.96278 41.73523       37.63585 
1 1 1 2  22 18 o 190.5082 39.80294 2.715440       1.038476  4.411049       1.446400  0.9114481      1.491911  243.1884 43.62976 137.2807 53.42518 105.9078       68.97685 
1 1 1 2  22 20 o 137.6385 52.38834 1.037435       1.412310  0.8965781      1.660174  1.406357       2.686779  141.1383 55.92339 175.9929 70.67189 -34.85455      90.12181 
1 1 1 2  22 22 o 99.47662 46.40281 -1.348540      1.604057  -1.651682      1.927490  -0.6656727     2.892923  108.1264 50.57811 149.0079 66.69948 -40.88148      83.70762 
1 1 1 2  22 24 f 274.7143 49.01984 5.873311       1.835861  4.332943       2.201833  9.386676       3.325322  228.8897 64.96556 333.3094 72.55953 -104.4197      97.39307 
1 1 1 2  22 26 f 138.7709 56.68555 0.8980811      1.762568  1.681008       2.153307  -0.6915544     3.068275  162.3532 63.88843 147.0639 66.97824 15.28931       92.56250 
1 1 1 2  22 28 o 159.6664 68.79539 1.154545       2.820515  1.154545       2.820515  0.000000       0.000000  159.6664 68.79539 ?        ?        ?              ?        
1 1 1 2  22 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  22 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  23 1  o 267.0708 40.24609 5.212041       1.473939  5.507968       2.093468  4.921150       2.075577  271.3220 56.36450 255.8648 58.58569 15.45720       81.29723 
1 1 1 2  23 3  o 299.4186 53.16456 6.645886       2.170272  6.645886       2.170272  0.000000       0.000000  299.4186 53.16456 ?        ?        ?              ?        
1 1 1 2  23 5  o 185.7009 46.31145 2.571620       1.212905  1.620090       2.033893  3.096771       1.510981  169.4768 63.22246 203.5121 52.21067 -34.03522      81.99411 
1 1 1 2  23 7  o 248.3282 31.33332 4.461845       1.076699  4.424833       2.167846  4.473965       1.240521  242.2375 62.74097 247.7221 36.47578 -5.484634      72.57349 
1 1 1 2  23 9  o 360.2923 21.73114 9.252876       1.102894  11.36535       2.375001  8.672087       1.245310  395.6378 43.11432 348.2750 25.44143 47.36279       50.06107 
1 1 1 2  23 11 o 420.3825 17.90646 12.56495       1.062865  13.45034       2.293891  12.32290       1.199382  431.4873 37.95144 416.0039 20.43485 15.48337       43.10330 
1 1 1 2  23 13 o 257.8758 20.54571 4.756863       0.7436150 5.901795       1.076426  3.711667       1.028473  286.4416 26.86751 225.3423 33.24759 61.09933       42.74652 
1 1 1 2  23 15 o 130.8051 40.62521 1.231741       0.8308110 1.525931       1.182353  0.9448118      1.167673  147.6393 48.73712 128.7710 47.92974 18.86830       68.35618 
1 1 1 2  23 17 o 98.22432 41.51344 0.8439177E-01  0.9923475 0.7118368      1.380586  -0.5862940     1.427365  128.7896 51.00795 104.1426 46.71599 24.64699       69.16787 
1 1 1 2  23 19 f 373.4557 29.07862 10.07255       1.524750  10.31767       1.808678  9.470437       2.834720  376.5283 34.31931 351.3192 59.11149 25.20901       68.35191 
1 1 1 2  23 21 o 109.5001 48.96073 -0.4942105     1.554184  0.1781811      1.905675  -1.829747      2.685749  132.7179 56.85587 130.3322 60.54156 2.385757       83.05342 
1 1 1 2  23 23 o 175.0995 58.27142 2.370269       1.689277  1.443090       2.001175  4.668922       3.150937  156.9682 61.64437 233.4962 79.59035 -76.52797      100.6710 
1 1 1 2  23 25 o 111.3655 50.41555 -0.5781003     1.706560  0.6330407      2.093601  -2.976266      2.946023  141.5672 60.08547 123.3577 59.08848 18.20940       84.27165 
1 1 1 2  23 27 o 139.0841 57.12416 1.019637       1.802261  0.5488310      2.207933  1.959656       3.119846  139.5794 60.50479 174.6969 73.70910 -35.11748      95.36174 
1 1 1 2  23 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  23 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  24 0  o 112.5251 69.21599 0.7455527      2.138498  0.7455527      2.138498  0.7455527      2.138498  112.5251 69.21599 112.5251 69.21599 -0.000000      0.000000 
1 1 1 2  24 2  o 133.3075 58.29409 -0.3820556     2.087759  -0.3820556     2.087759  0.000000       0.000000  133.3075 58.29409 ?        ?        ?              ?        
1 1 1 2  24 4  o 146.4402 60.14883 0.5686851      1.998315  0.5686851      1.998315  0.000000       0.000000  146.4402 60.14883 ?        ?        ?              ?        
1 1 1 2  24 6  o 126.6863 48.82091 0.7765510      1.236713  -1.110209      2.058798  1.841713       1.546903  121.8233 55.23944 164.6142 55.77114 -42.79090      78.49723 
1 1 1 2  24 8  o 136.1501 45.69703 1.260455       1.038555  0.8066459      2.062501  1.414606       1.202071  152.3941 61.66278 144.8098 49.16251 7.584320       78.86223 
1 1 1 2  24 10 o 144.9541 42.51624 1.543415       0.9286963 3.072253       2.087970  1.166368       1.036911  204.3915 64.53898 132.6230 45.64405 71.76851       79.04846 
1 1 1 2  24 12 o 257.1100 26.67265 4.766792       0.9564375 1.494965       2.070912  5.653888       1.078331  165.8301 63.36075 280.0809 27.56168 -114.2508      69.09581 
1 1 1 2  24 14 o 237.5188 24.82981 4.067211       0.8223090 3.861353       1.135864  4.293923       1.192008  228.9660 36.26040 241.7958 35.92473 -12.82979      51.04314 
1 1 1 2  24 16 o 87.72868 38.70041 -0.2496701     0.9386911 -0.2058960E-01 1.359213  -0.4585576     1.297926  111.4825 47.89230 100.6401 44.88833 10.84238       65.64019 
1 1 1 2  24 18 o 113.9576 46.06344 0.4670579      1.149645  -0.1666023     1.586184  1.168308       1.668636  116.9128 50.97406 147.0270 56.69600 -30.11413      76.24166 
1 1 1 2  24 20 o 133.6751 52.58847 0.8967811      1.458601  1.315025       1.726400  -0.1464594     2.726585  150.2709 57.74126 150.1194 66.10080 0.1515350      87.76884 
1 1 1 2  24 22 f 237.0431 49.50493 4.434293       1.607049  3.893646       1.887368  5.859724       3.064589  217.9420 59.52390 257.8521 77.63515 -39.91013      97.82797 
1 1 1 2  24 24 o 87.09008 42.37188 -2.576996      1.666585  -1.246053      2.012931  -5.477762      2.971704  112.6198 52.34750 107.6197 53.19622 5.000183       74.63309 
1 1 1 2  24 26 o 105.3359 48.82156 -0.9446189     1.731814  -2.618144      2.168265  2.004048       2.878122  102.2827 49.42229 172.0513 71.56761 -69.76855      86.97405 
1 1 1 2  24 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  24 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  25 1  o 174.3436 57.70056 2.128317       1.656916  4.328447       2.370934  0.2808544E-01  2.316481  238.8664 67.28320 146.4289 62.70646 92.43758       91.97353 
1 1 1 2  25 3  f 252.8204 64.08725 4.876600       2.295678  4.876600       2.295678  0.000000       0.000000  252.8204 64.08725 ?        ?        ?              ?        
1 1 1 2  25 5  o 242.6609 43.22288 4.366590       1.429912  4.877004       2.392222  4.082850       1.783612  252.3362 66.18239 232.1469 55.11729 20.18932       86.12794 
1 1 1 2  25 7  o 123.1704 46.06934 0.8421387      1.081394  -1.252447      2.202850  1.507180       1.241253  124.4898 56.71828 148.2723 49.95908 -23.78250      75.58355 
1 1 1 2  25 9  f 204.1220 40.00283 3.104511       1.114242  -0.4083019     2.287989  4.196645       1.275746  138.2531 60.72476 238.3705 39.17729 -100.1175      72.26588 
1 1 1 2  25 11 o 240.1922 31.32078 4.201762       1.039325  4.986859       2.244181  3.987397       1.172662  254.1586 62.76914 232.6265 36.84631 21.53209       72.78472 
1 1 1 2  25 13 o 81.74903 37.48163 -0.6703944     0.9821219 -2.743639      2.120590  -0.1042606     1.108131  105.1804 50.31430 99.15297 42.92263 6.027390       66.13532 
1 1 1 2  25 15 f 130.7262 43.42342 1.193868       0.9381735 1.687352       1.322415  0.6938182      1.331183  154.3958 51.56136 126.3285 50.06987 28.06726       71.87186 
1 1 1 2  25 17 o 145.8378 46.58651 1.555317       1.085261  1.962044       1.620483  1.224528       1.461397  166.0612 57.06396 142.9638 53.53855 23.09743       78.24750 
1 1 1 2  25 19 o 109.6855 45.70493 0.2956996      1.176775  0.9901047      1.671946  -0.3860013     1.656581  141.0130 56.04159 114.4115 50.89138 26.60159       75.70068 
1 1 1 2  25 21 o 114.3446 49.61533 0.2624892E-01  1.487714  1.068673       1.753522  -2.651714      2.810550  142.9120 57.19404 123.4376 58.73448 19.47446       81.98108 
1 1 1 2  25 23 o 129.9042 52.52453 0.8357859      1.495260  2.593330       1.794421  -3.157037      2.704651  178.3759 60.06834 114.9362 55.45270 63.43976       81.75089 
1 1 1 2  25 25 o 144.8690 61.32739 0.9864584      2.171535  2.077115       3.188447  0.4288591E-01  2.965670  175.3405 74.27345 147.0627 66.52953 28.27788       99.71320 
1 1 1 2  25 27 o 164.9231 63.05056 2.400993       2.051458  -0.4494558     2.901496  5.250280       2.900904  135.1823 62.83941 219.5497 76.30665 -84.36745      98.85088 
1 1 1 2  25 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  26 0  f 118.0946 72.63617 0.8729588      2.354627  0.8729588      2.354627  0.8729588      2.354627  118.0946 72.63617 118.0946 72.63617 -0.000000      0.000000 
1 1 1 2  26 2  o 178.6215 68.21280 1.770611       2.399423  1.770611       2.399423  0.000000       0.000000  178.6215 68.21280 ?        ?        ?              ?        
1 1 1 2  26 4  o 184.3708 67.78927 2.124731       2.323134  2.124731       2.323134  0.000000       0.000000  184.3708 67.78927 ?        ?        ?              ?        
1 1 1 2  26 6  o 157.7723 54.20976 1.693894       1.462421  -0.1206283     2.338669  2.859017       1.874017  143.8018 62.30293 196.1355 61.03010 -52.33376      87.21426 
1 1 1 2  26 8  o 143.1850 48.71286 1.399513       1.180254  2.710554       2.378033  0.9710139      1.359517  197.6191 69.06254 134.9059 51.38754 62.71315       86.08318 
1 1 1 2  26 10 o 105.0890 44.22607 0.1381777      1.118572  -2.070029      2.305787  0.8177860      1.279171  118.1163 55.27318 128.2327 49.58920 -10.11639      74.25774 
1 1 1 2  26 12 o 131.2689 46.44267 1.119350       1.077733  0.3438632      2.281936  1.341989       1.222691  148.3637 62.83963 141.7569 49.52259 6.606766       80.00816 
1 1 1 2  26 14 o 107.4540 41.26842 0.5882670      0.8815669 -0.3441812     1.204013  1.665852       1.294329  98.22187 43.55513 152.8712 51.00999 -54.64936      67.07510 
1 1 1 2  26 16 o 160.8791 44.20232 1.977143       1.037227  1.333917       1.473349  2.609161       1.460456  145.6206 53.90704 183.5963 53.16537 -37.97566      75.71344 
1 1 1 2  26 18 o 106.8516 44.30303 0.3167980      1.097878  0.5160980      1.608225  0.1428561      1.502434  128.5564 53.48832 117.7820 50.47093 10.77439       73.54125 
1 1 1 2  26 20 o 132.4806 48.56495 1.176581       1.190913  1.810964       1.630237  0.4506415      1.743914  157.6974 56.96703 129.7941 54.95260 27.90331       79.15195 
1 1 1 2  26 22 f 119.0396 50.32313 0.3983293      1.458803  1.296632       1.712343  -1.979349      2.785838  144.5616 56.94634 126.0078 59.52007 18.55384       82.37429 
1 1 1 2  26 24 o 118.2465 53.89051 -0.4807041     1.990636  0.4852178      2.908150  -1.332283      2.730600  149.9548 67.01685 127.3885 59.78408 22.56638       89.80755 
1 1 1 2  26 26 o 125.2471 56.83056 -0.2499154E-01 2.183625  -1.174272      3.233814  0.9382167      2.960480  133.7260 63.44903 149.6558 67.19384 -15.92978      92.41640 
1 1 1 2  26 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  26 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  27 1  o 109.9567 50.57047 -1.234856      1.806808  -1.874354      2.552360  -0.5924931     2.558073  128.3060 59.39873 143.4616 63.55794 -15.15562      86.99322 
1 1 1 2  27 3  o 305.0294 65.52937 7.214393       2.744386  7.214393       2.744386  0.000000       0.000000  305.0294 65.52937 ?        ?        ?              ?        
1 1 1 2  27 5  o 105.8258 47.57112 -0.6369974     1.488764  -5.211218      2.505919  1.858168       1.850794  99.93185 49.29393 168.8678 60.73783 -68.93591      78.22388 
1 1 1 2  27 7  o 152.8690 54.79470 1.511652       1.504874  2.692809       2.587345  0.9077971      1.849979  199.2305 71.79391 146.9061 58.76174 52.32436       92.77557 
1 1 1 2  27 9  o 128.8676 49.75325 0.8454549      1.286107  -0.2835400     2.464624  1.267923       1.507654  144.0786 63.16204 146.0874 54.44521 -2.008759      83.38900 
1 1 1 2  27 11 o 104.9053 44.81980 0.3673873E-01  1.178434  -0.2188673     2.535140  0.1071924      1.330970  146.3877 64.11990 112.5782 47.84964 33.80950       80.00594 
1 1 1 2  27 13 o 196.3092 45.27375 2.953522       1.232113  5.877572       2.607757  2.113166       1.397998  269.8943 68.24406 167.7860 52.78690 102.1082       86.27693 
1 1 1 2  27 15 o 86.79847 38.64954 -0.3016124     0.9580378 0.2216481      1.372689  -0.7985575     1.337727  115.3578 48.79329 95.56134 43.78827 19.79642       65.56064 
1 1 1 2  27 17 f 97.70737 41.96574 0.4172772E-01  1.043216  0.4456579      1.467309  -0.3711570     1.483484  122.1571 50.97923 107.4122 47.94395 14.74497       69.98217 
1 1 1 2  27 19 o 89.45641 40.51505 -0.4697182     1.103564  0.7790350      1.535546  -1.803696      1.587080  130.1384 53.00342 91.57104 43.72854 38.56738       68.71352 
1 1 1 2  27 21 o 82.40796 39.77518 -1.884529      1.394967  -0.3960696     2.687738  -2.433306      1.631985  138.6201 62.95837 86.40029 42.01204 52.21984       75.68862 
1 1 1 2  27 23 o 96.99626 46.80676 -2.230883      1.929362  -1.909250      2.743364  -2.545652      2.713935  121.6127 57.91190 115.8842 55.81907 5.728508       80.43356 
1 1 1 2  27 25 o 172.7135 73.29910 2.787942       3.115254  2.787942       3.115254  0.000000       0.000000  172.7135 73.29910 ?        ?        ?              ?        
1 1 1 2  27 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  27 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  28 0  o 261.4142 90.06461 6.550880       2.999049  6.550880       2.999049  6.550880       2.999049  261.4142 90.06461 261.4142 90.06461 0.000000       0.000000 
1 1 1 2  28 2  o 151.8714 67.28806 -0.5469387     2.867595  -0.5469387     2.867595  0.000000       0.000000  151.8714 67.28806 ?        ?        ?              ?        
1 1 1 2  28 4  f 118.9845 51.87282 -0.1842333     1.642308  -1.002586      2.649271  0.3265291      2.092983  140.1259 63.18335 142.4679 60.25459 -2.342056      87.30836 
1 1 1 2  28 6  o 93.46774 44.67098 -2.128003      1.663471  0.9883224      2.710592  -4.010747      2.106873  168.9391 69.78876 94.10205 46.17641 74.83710       83.68233 
1 1 1 2  28 8  o 129.5177 53.52925 0.4772276      1.595717  0.7970169      2.597476  0.2833769      2.022336  162.7059 67.85896 139.0527 59.03755 23.65324       89.94594 
1 1 1 2  28 10 o 212.6813 49.48380 3.495008       1.461285  3.736176       2.806748  3.405329       1.711546  219.9157 75.11426 208.5721 56.56734 11.34363       94.03200 
1 1 1 2  28 12 o 126.9061 49.31495 0.8428067      1.269719  1.118393       2.645312  0.7603077      1.447345  166.4516 68.86945 130.0549 51.99084 36.39664       86.29049 
1 1 1 2  28 14 o 148.2583 50.14150 1.615949       1.250343  3.069307       2.661722  1.204439       1.416338  199.4536 72.68496 139.2416 52.58585 60.21201       89.71274 
1 1 1 2  28 16 o 187.9143 39.74051 2.737283       1.023779  2.274327       1.473494  3.169347       1.423485  169.4209 54.30047 198.3819 50.56143 -28.96097      74.19569 
1 1 1 2  28 18 o 147.0106 50.51774 1.643801       1.270015  2.227121       2.704257  1.478740       1.438523  177.6517 71.05018 144.4703 53.30466 33.18141       88.82294 
1 1 1 2  28 20 o 107.7702 47.33435 -0.1630880E-01 1.390096  -1.441819      2.772788  0.4622554      1.606577  128.6930 60.34784 123.3173 52.49808 5.375702       79.98694 
1 1 1 2  28 22 o 143.2780 58.61653 1.356113       1.888274  2.753120       2.777234  0.1551007      2.575058  176.2639 71.46918 137.1248 62.01754 39.13913       94.62568 
1 1 1 2  28 24 o 146.2405 65.44683 1.050203       2.783694  1.050203       2.783694  0.000000       0.000000  146.2405 65.44683 ?        ?        ?              ?        
1 1 1 2  28 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  28 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  29 1  o 230.6485 66.29213 4.213472       2.278632  5.382298       3.118332  2.874336       3.337794  257.3773 78.48639 210.0173 80.39103 47.35999       112.3514 
1 1 1 2  29 3  o 121.7490 58.58725 -3.901715      2.972813  -3.901715      2.972813  0.000000       0.000000  121.7490 58.58725 ?        ?        ?              ?        
1 1 1 2  29 5  o 123.9757 54.09830 -0.1465572     1.789757  -0.5434057     2.785386  0.1325111      2.335760  147.9555 65.89027 144.9690 62.53490 2.986526       90.84129 
1 1 1 2  29 7  o 195.7574 58.86941 2.989866       1.762882  6.019549       2.969820  1.341514       2.190567  269.5078 75.08379 161.5369 64.16371 107.9708       98.76516 
1 1 1 2  29 9  o 88.44398 42.81053 -2.481786      1.644871  -2.145634      2.680573  -2.684803      2.083179  126.4519 59.30934 102.7177 49.32948 23.73421       77.14269 
1 1 1 2  29 11 o 129.2979 51.03173 0.8521851      1.377484  -1.362918      2.712245  1.622147       1.599067  133.8209 61.69526 153.9255 56.29942 -20.10461      83.52203 
1 1 1 2  29 13 o 122.4408 48.67085 0.7473336      1.261326  2.445440       2.789472  0.3109037      1.414154  186.1061 72.87136 117.1948 49.54534 68.91132       88.11910 
1 1 1 2  29 15 o 110.1285 46.42823 0.2994714      1.236190  1.007390       2.642260  0.1010954      1.398712  158.0008 67.29657 111.6576 48.27941 46.34312       82.82349 
1 1 1 2  29 17 o 123.9241 49.08821 0.8594606      1.278798  -4.372456      2.614692  2.504415       1.466112  103.2317 50.81184 173.8566 53.96223 -70.62486      74.11994 
1 1 1 2  29 19 f 141.0487 50.74990 1.524292       1.292273  1.391843       2.853138  1.558476       1.449474  160.5491 69.18404 143.9079 53.43211 16.64125       87.41523 
1 1 1 2  29 21 f 98.19464 48.70271 -4.414330      2.570054  -4.414330      2.570054  0.000000       0.000000  98.19464 48.70271 ?        ?        ?              ?        
1 1 1 2  29 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  29 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  30 0  o 97.23463 67.93752 -2.901565      3.439495  -2.901565      3.439495  -2.901565      3.439495  97.23463 67.93752 97.23463 67.93752 0.000000       0.000000 
1 1 1 2  30 2  o 171.9730 73.32544 0.8212686      3.142746  0.8212686      3.142746  0.000000       0.000000  171.9730 73.32544 ?        ?        ?              ?        
1 1 1 2  30 4  o 137.2736 58.57528 0.3190087      2.008255  -2.069913      3.063725  2.118777       2.659237  137.3401 64.08643 183.1645 71.31407 -45.82434      95.87891 
1 1 1 2  30 6  o 133.0158 57.25352 0.1973336      1.949644  -0.5769640     3.041579  0.7373596      2.540110  151.0635 67.94353 156.6469 66.32135 -5.583328      94.94653 
1 1 1 2  30 8  f 120.0362 53.05695 -0.2218324     1.772629  -0.4131165     2.972108  -0.1162212     2.208412  149.9628 67.32915 134.6340 59.37741 15.32883       89.77132 
1 1 1 2  30 10 o 106.9555 47.50858 -0.2710701     1.438588  -3.127856      2.936029  0.6314582      1.650258  122.4349 58.73681 130.7037 54.26544 -8.268753      79.96719 
1 1 1 2  30 12 o 94.20577 43.57997 -0.8772697     1.370166  -1.344246      2.702886  -0.7157663     1.589540  130.6569 60.70673 104.8913 47.93842 25.76551       77.35244 
1 1 1 2  30 14 o 135.3710 50.01686 1.279722       1.267302  -0.2330966     2.564783  1.768387       1.457682  138.0458 62.21352 152.0729 53.99206 -14.02707      82.37514 
1 1 1 2  30 16 o 127.8040 47.94890 1.118534       1.173298  -2.299845      2.469301  2.115361       1.333441  113.1641 54.17654 160.3630 51.68015 -47.19895      74.87280 
1 1 1 2  30 18 f 121.9908 53.52089 0.2709151      1.772753  0.8756250      2.647294  -0.2207128     2.386969  148.0584 65.16519 129.5432 59.02852 18.51517       87.92535 
1 1 1 2  30 20 o 165.8153 69.81029 2.514092       2.788827  2.514092       2.788827  0.000000       0.000000  165.8153 69.81029 ?        ?        ?              ?        
1 1 1 2  30 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  30 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  31 1  o 205.1919 81.00822 3.115008       3.471942  3.115008       3.471942  0.000000       0.000000  205.1919 81.00822 ?        ?        ?              ?        
1 1 1 2  31 3  o 207.5857 80.69297 3.352544       3.400417  3.352544       3.400417  0.000000       0.000000  207.5857 80.69297 ?        ?        ?              ?        
1 1 1 2  31 5  o 108.2406 51.00380 -1.721930      2.023134  -2.842247      3.263807  -1.022848      2.578209  132.6015 63.15093 132.0202 60.60413 0.5812683      87.52657 
1 1 1 2  31 7  o 129.7603 55.57462 0.3714041      1.819899  1.689543       2.948082  -0.4401956     2.313289  173.7082 72.35865 131.1012 59.08411 42.60701       93.41684 
1 1 1 2  31 9  o 106.2162 48.41792 -0.6490585     1.607944  4.777405       2.705792  -3.611590      1.999252  228.9108 73.60394 90.37608 44.47380 138.5347       85.99685 
1 1 1 2  31 11 f 134.6919 51.07081 1.214417       1.339024  1.954402       2.615282  0.9515164      1.558844  170.0222 69.20035 132.9465 53.67438 37.07578       87.57641 
1 1 1 2  31 13 o 78.33150 37.71904 -1.607185      1.236980  -0.8732424     2.468234  -1.853351      1.429449  126.7166 58.57447 83.68445 40.35957 43.03213       71.13271 
1 1 1 2  31 15 o 66.66046 33.19600 -2.859603      1.242743  -4.134587      2.563260  -2.467812      1.420913  101.3810 49.97948 77.05183 37.83238 24.32919       62.68362 
1 1 1 2  31 17 o 158.9518 67.43296 1.918130       2.634873  1.918130       2.634873  0.000000       0.000000  158.9518 67.43296 ?        ?        ?              ?        
1 1 1 2  31 19 o 122.6377 58.34937 -1.059641      2.772731  -1.059641      2.772731  0.000000       0.000000  122.6377 58.34937 ?        ?        ?              ?        
1 1 1 2  31 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  31 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  32 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  32 2  o 183.0462 69.90409 2.647468       2.519919  3.491459       3.510993  1.750821       3.618861  203.8188 81.14262 180.9327 77.94178 22.88603       112.5124 
1 1 1 2  32 4  o 121.0971 54.95568 -0.5405476     2.042851  -3.188375      3.042014  1.634394       2.757022  122.4155 58.99821 167.5406 69.89645 -45.12509      91.46749 
1 1 1 2  32 6  o 125.1730 55.45330 -0.2573600E-01 1.947087  0.9516320      3.027805  -0.7149168     2.542526  161.1917 70.35048 131.6131 60.33035 29.57857       92.67654 
1 1 1 2  32 8  o 206.2195 57.35347 3.662216       1.734449  1.357203       2.854121  5.011889       2.183986  162.6220 69.62166 237.1296 63.72254 -74.50760      94.38081 
1 1 1 2  32 10 f 106.7906 48.26274 -0.3795979     1.556106  0.6560889      2.631698  -0.9363642     1.929560  147.8162 65.01887 111.0764 51.50000 36.73984       82.94398 
1 1 1 2  32 12 o 203.6552 47.45873 3.461971       1.342395  -0.8067653     2.635743  4.957051       1.559860  129.2104 60.00501 245.4574 46.60852 -116.2470      75.97997 
1 1 1 2  32 14 o 145.3707 58.57728 1.542984       1.852706  1.702892       2.408621  1.311283       2.899335  154.6042 64.97109 154.5375 68.09990 0.6674194E-01  94.12141 
1 1 1 2  32 16 o 142.4913 64.29186 0.9039016      2.748215  0.9039016      2.748215  0.000000       0.000000  142.4913 64.29186 ?        ?        ?              ?        
1 1 1 2  32 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  32 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  32 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  33 1  o 129.8831 63.22586 -3.949641      3.724430  0.000000       0.000000  -3.949641      3.724430  ?        ?        129.8831 63.22586 ?              ?        
1 1 1 2  33 3  o 158.0544 70.49951 0.7354041      3.201843  0.7354041      3.201843  0.000000       0.000000  158.0544 70.49951 ?        ?        ?              ?        
1 1 1 2  33 5  o 151.0619 62.01563 1.451126       2.122895  -1.690085      3.321829  3.619742       2.760071  136.3977 64.59628 196.2505 73.55988 -59.85277      97.89656 
1 1 1 2  33 7  o 108.4938 50.21726 -0.8190406     1.823009  -0.1388357E-01 2.945018  -1.319217      2.321182  143.6884 65.50970 116.8347 54.92215 26.85374       85.48663 
1 1 1 2  33 9  o 97.74682 46.09688 -1.227726      1.658726  -4.593508      2.641831  0.9626101      2.131167  100.0638 49.58565 140.4842 60.15303 -40.42039      77.95591 
1 1 1 2  33 11 o 125.7982 52.10965 0.8868273      1.516894  0.7988285E-01  2.541502  1.333349       1.890557  133.7397 60.92859 141.1494 58.29393 -7.409729      84.32364 
1 1 1 2  33 13 o 123.5059 57.39753 -0.3640206     2.418414  -0.3640206     2.418414  0.000000       0.000000  123.5059 57.39753 ?        ?        ?              ?        
1 1 1 2  33 15 o 176.2939 70.79237 3.626134       2.695931  3.626134       2.695931  0.000000       0.000000  176.2939 70.79237 ?        ?        ?              ?        
1 1 1 2  33 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  33 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  33 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  34 0  f 124.6256 82.55149 0.8008183      3.822935  0.8008183      3.822935  0.8008183      3.822935  124.6256 82.55149 124.6256 82.55149 0.000000       0.000000 
1 1 1 2  34 2  o 140.8290 67.01987 -1.416754      3.662228  0.000000       0.000000  -1.416754      3.662228  ?        ?        140.8290 67.01987 ?              ?        
1 1 1 2  34 4  o 145.8898 61.06211 1.373511       2.114357  -1.661020      3.016578  4.303990       2.964408  127.1865 60.61132 201.2896 76.06416 -74.10313      97.25990 
1 1 1 2  34 6  f 103.4117 49.12569 -1.436991      1.950236  -1.545207      2.997450  -1.357554      2.568150  126.6637 60.37800 119.5656 56.67553 7.098099       82.81074 
1 1 1 2  34 8  f 118.2689 52.48338 0.2574084      1.751422  -1.168419      2.815266  1.157672       2.237024  124.6588 59.16253 141.0107 61.01402 -16.35184      84.98773 
1 1 1 2  34 10 o 117.0472 55.69862 -1.156744      2.528626  -1.156744      2.528626  0.000000       0.000000  117.0472 55.69862 ?        ?        ?              ?        
1 1 1 2  34 12 o 216.7966 71.96791 5.627404       2.577090  5.627404       2.577090  0.000000       0.000000  216.7966 71.96791 ?        ?        ?              ?        
1 1 1 2  34 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  34 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  34 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  35 1  o 171.9641 69.28609 3.075574       2.591745  0.2541481      3.540539  6.332883       3.804210  144.7024 67.96208 213.0878 84.58302 -68.38539      108.5041 
1 1 1 2  35 3  o 146.4369 62.82619 1.625265       2.333310  0.000000       0.000000  1.625265       2.333310  ?        ?        146.4369 62.82619 ?              ?        
1 1 1 2  35 5  o 143.0196 60.00613 1.647036       2.049434  1.771484       2.963770  1.533003       2.837056  151.5890 67.70736 147.8714 66.13156 3.717575       94.64497 
1 1 1 2  35 7  o 142.7259 64.43262 1.343796       2.764613  1.343796       2.764613  0.000000       0.000000  142.7259 64.43262 ?        ?        ?              ?        
1 1 1 2  35 9  o 107.0041 51.75951 -1.647877      2.394238  -1.647877      2.394238  0.000000       0.000000  107.0041 51.75951 ?        ?        ?              ?        
1 1 1 2  35 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  35 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  35 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  35 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  36 0  o 67.84701 50.14558 -9.508332      3.735038  -9.508332      3.735038  -9.508332      3.735038  67.84701 50.14558 67.84701 50.14558 0.000000       0.000000 
1 1 1 2  36 2  o 128.4473 58.73187 0.7312235      2.389589  0.7127861      3.263453  0.7525353      3.508631  136.7438 64.53950 138.9046 65.95936 -2.160889      92.28209 
1 1 1 2  36 4  o 139.3497 63.63852 1.429612       2.794272  0.000000       0.000000  1.429612       2.794272  ?        ?        139.3497 63.63852 ?              ?        
1 1 1 2  36 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  36 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  36 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  36 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  36 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  37 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  37 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  37 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  37 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  37 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  37 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  38 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  38 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  38 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  38 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2  38 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  0  1  o 319.6054 9.943371 7.249620       0.4487599 7.249620       0.4487599 7.249620       0.4487599 319.6054 9.943371 319.6054 9.943371 0.000000       0.000000 
1 1 1 3  0  3  o 1525.882 20.78599 164.9094       4.486730  164.9094       4.486730  164.9094       4.486730  1525.882 20.78599 1525.882 20.78599 0.000000       0.000000 
1 1 1 3  0  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  0  7  o 54.58865 35.63055 -0.7996468E-01 0.6731591 -0.7996468E-01 0.6731591 -0.7996468E-01 0.6731591 54.58865 35.63055 54.58865 35.63055 0.000000       0.000000 
1 1 1 3  0  9  o 3682.769 44.13147 961.8276       22.99334  961.8276       22.99334  961.8276       22.99334  3682.769 44.13147 3682.769 44.13147 0.000000       0.000000 
1 1 1 3  0  11 o 2997.415 37.49794 636.9480       15.90087  636.9480       15.90087  636.9480       15.90087  2997.415 37.49794 2997.415 37.49794 0.000000       0.000000 
1 1 1 3  0  13 o 1995.451 28.59043 282.2191       8.070129  282.2191       8.070129  282.2191       8.070129  1995.451 28.59043 1995.451 28.59043 0.000000       0.000000 
1 1 1 3  0  15 o 803.9073 23.98123 45.89969       2.722834  45.89969       2.722834  45.89969       2.722834  803.9073 23.98123 803.9073 23.98123 0.000000       0.000000 
1 1 1 3  0  17 o 967.2578 25.87438 66.47438       3.536136  66.47438       3.536136  66.47438       3.536136  967.2578 25.87438 967.2578 25.87438 0.000000       0.000000 
1 1 1 3  0  19 o 490.1556 32.18938 17.28767       2.210478  17.28767       2.210478  17.28767       2.210478  490.1556 32.18938 490.1556 32.18938 0.000000       0.000000 
1 1 1 3  0  21 o 2685.775 38.51642 513.4197       14.63302  513.4197       14.63302  513.4197       14.63302  2685.775 38.51642 2685.775 38.51642 0.000000       0.000000 
1 1 1 3  0  23 o 1766.290 33.61362 221.5930       8.395413  221.5930       8.395413  221.5930       8.395413  1766.290 33.61362 1766.290 33.61362 0.000000       0.000000 
1 1 1 3  0  25 o 2325.153 51.50928 385.7804       16.93072  385.7804       16.93072  385.7804       16.93072  2325.153 51.50928 2325.153 51.50928 0.000000       0.000000 
1 1 1 3  0  27 o 675.7645 51.20470 33.18200       4.830698  33.18200       4.830698  33.18200       4.830698  675.7645 51.20470 675.7645 51.20470 0.000000       0.000000 
1 1 1 3  0  29 o 122.7972 80.51029 -0.3574294     3.493785  -0.3574294     3.493785  -0.3574294     3.493785  122.7972 80.51029 122.7972 80.51029 0.000000       0.000000 
1 1 1 3  0  31 o 575.4655 71.88020 25.29898       5.607375  25.29898       5.607375  25.29898       5.607375  575.4655 71.88020 575.4655 71.88020 0.000000       0.000000 
1 1 1 3  0  33 o 123.1491 83.49602 -1.552897      4.345444  -1.552897      4.345444  -1.552897      4.345444  123.1491 83.49602 123.1491 83.49602 0.000000       0.000000 
1 1 1 3  0  35 o 254.4138 122.3152 8.139027       5.089964  8.139027       5.089964  8.139027       5.089964  254.4138 122.3152 254.4138 122.3152 0.000000       0.000000 
1 1 1 3  0  37 o 104.2932 73.33528 -3.298856      4.200173  -3.298856      4.200173  -3.298856      4.200173  104.2932 73.33528 104.2932 73.33528 0.000000       0.000000 
1 1 1 3  0  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  1  0  o 937.4532 12.38541 62.22680       1.642513  62.22680       1.642513  62.22680       1.642513  937.4532 12.38541 937.4532 12.38541 0.000000       0.000000 
1 1 1 3  1  2  o 1654.081 11.54368 193.6464       2.702221  191.7999       4.088624  195.0786       3.600737  1645.911 17.55298 1660.031 15.32693 -14.11987      23.30284 
1 1 1 3  1  4  o 1074.628 9.911728 81.73049       1.507396  84.38700       2.644321  80.45168       1.834685  1091.758 17.11465 1066.139 12.15984 25.61902       20.99459 
1 1 1 3  1  6  o 2323.310 23.92653 382.3470       7.866954  389.7444       9.826105  369.1395       13.12963  2345.027 29.60833 2280.580 40.68062 64.44653       50.31467 
1 1 1 3  1  8  f 1981.915 21.74068 278.1854       6.097868  280.2542       7.499059  274.1476       10.47649  1988.841 26.64323 1965.786 37.65822 23.05481       46.13028 
1 1 1 3  1  10 o 2848.013 25.37015 574.6470       10.22550  582.3824       14.68714  567.3701       14.24509  2865.313 36.21973 2828.263 35.58981 37.05078       50.77896 
1 1 1 3  1  12 o 913.1294 15.10203 59.03034       1.951585  63.06587       2.878134  55.59567       2.655236  943.5773 21.55330 885.9486 21.17751 57.62866       30.21642 
1 1 1 3  1  14 o 531.8444 17.34965 20.05452       1.304108  19.94983       1.843670  20.15935       1.844906  529.9221 24.65148 532.7131 24.53743 -2.791077      34.78191 
1 1 1 3  1  16 o 646.8202 18.27568 29.67465       1.671250  29.40719       2.374777  29.93709       2.352390  643.0988 26.14760 648.9334 25.66533 -5.834595      36.63886 
1 1 1 3  1  18 o 1205.308 18.45348 103.0446       3.147720  101.1345       4.399520  105.0479       4.505468  1192.667 26.06553 1215.494 26.19192 -22.82764      36.95170 
1 1 1 3  1  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  1  22 o 1089.178 23.41370 84.20135       3.609015  83.70689       4.506011  85.08611       6.027549  1084.630 29.38267 1091.222 39.09401 -6.592285      48.90483 
1 1 1 3  1  24 o 988.9880 24.62229 69.40424       3.446190  66.75759       4.211496  74.76765       5.995279  968.7089 30.75913 1023.046 41.49508 -54.33716      51.65236 
1 1 1 3  1  26 f 608.6624 36.65367 26.53672       3.142655  26.43561       4.559857  26.62819       4.337264  603.2609 53.98034 606.2997 51.02149 -3.038879      74.27698 
1 1 1 3  1  28 o 527.4008 44.52343 20.14997       3.292132  23.98926       4.747077  16.59247       4.569553  570.8220 59.64233 469.6712 70.95862 101.1508       92.69485 
1 1 1 3  1  30 o 1184.739 35.25066 100.8240       5.903731  94.35296       8.161695  107.9256       8.550115  1136.914 50.85499 1216.868 49.75372 -79.95386      71.14536 
1 1 1 3  1  32 o 589.1904 49.40107 25.82900       4.081298  25.52959       5.798094  26.12305       5.745914  569.4025 73.67813 577.4284 71.86472 -8.025879      102.9223 
1 1 1 3  1  34 o 164.7479 72.64678 -0.1817560E-01 3.304498  2.596958       4.816431  -2.343946      4.542153  219.4313 92.02308 168.3994 78.39626 51.03192       120.8893 
1 1 1 3  1  36 o 745.3151 44.48738 42.38856       4.671063  39.46671       6.671497  45.19822       6.542163  684.1543 69.88537 743.8217 62.73304 -59.66736      93.91165 
1 1 1 3  1  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  1  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  2  1  o 1099.961 8.851776 85.62628       1.377931  83.19895       2.052787  87.61691       1.858974  1084.158 13.37925 1112.611 11.80620 -28.45300      17.84350 
1 1 1 3  2  3  o 2392.605 14.63839 405.2311       4.956602  402.6541       6.960227  407.8827       7.060230  2384.523 20.62539 2399.941 20.78732 -15.41772      29.28343 
1 1 1 3  2  5  o 638.9816 11.23031 28.89794       1.015547  30.90301       1.481035  27.11853       1.395205  660.7021 15.83944 618.7184 15.94730 41.98370       22.47675 
1 1 1 3  2  7  o 2106.802 19.44867 314.2952       5.798738  314.6580       8.207808  313.9337       8.193518  2107.288 27.52222 2104.863 27.50595 2.425049       38.91080 
1 1 1 3  2  9  o 1737.525 20.24193 213.7855       4.977404  218.5726       6.266076  205.6002       8.193641  1756.507 25.20728 1702.773 34.00167 53.73413       42.32636 
1 1 1 3  2  11 o 2669.143 24.23109 504.7302       9.153023  486.0831       12.45020  526.6622       13.50239  2617.911 33.60481 2724.724 35.01614 -106.8125      48.53260 
1 1 1 3  2  13 o 720.5797 16.05162 36.76579       1.636895  38.33578       2.389342  35.37723       2.247043  735.1882 22.99293 706.2563 22.51046 28.93182       32.17756 
1 1 1 3  2  15 o 1254.023 17.38947 111.4031       3.086110  106.5254       4.221813  117.0004       4.522527  1225.590 24.34074 1284.371 24.88117 -58.78101      34.80724 
1 1 1 3  2  17 o 660.4478 18.39547 30.95217       1.717695  28.98404       2.380552  33.08977       2.480930  638.1187 26.41780 681.9866 25.75134 -43.86792      36.89216 
1 1 1 3  2  19 o 371.2930 36.36232 9.948665       1.886210  9.662987       2.825938  10.17819       2.533040  360.7809 57.25806 372.6509 49.23419 -11.87000      75.51484 
1 1 1 3  2  21 f 733.4881 44.31899 38.72418       4.579011  38.72418       4.579011  0.000000       0.000000  733.4881 44.31899 ?        ?        ?              ?        
1 1 1 3  2  23 o 263.2625 49.64544 5.119479       1.781832  3.851799       2.213838  7.451134       3.002433  228.1998 65.26530 315.0445 69.23446 -86.84464      95.14709 
1 1 1 3  2  25 o 1280.201 25.01650 116.3588       4.532362  114.3600       5.639871  120.0033       7.615738  1267.934 31.43060 1295.638 41.58834 -27.70374      52.12939 
1 1 1 3  2  27 o 598.6818 38.18121 25.74964       3.218077  23.51879       4.711629  27.70031       4.405841  565.8474 59.73783 617.5283 50.86468 -51.68091      78.45906 
1 1 1 3  2  29 o 913.4921 36.21175 59.89928       4.672107  73.03053       7.401847  51.20245       6.023758  1001.201 52.42215 838.5498 51.00085 162.6509       73.13801 
1 1 1 3  2  31 o 294.6039 78.99217 6.930662       3.360626  7.566434       5.204420  6.475988       4.401204  305.4072 102.2936 285.3432 94.02393 20.06393       138.9405 
1 1 1 3  2  33 o 495.6018 53.49422 18.68207       3.692596  17.83196       5.429298  19.41376       5.036982  459.8376 86.60601 489.7872 75.05635 -29.94962      114.6039 
1 1 1 3  2  35 o 536.3128 52.91456 22.28418       3.963911  19.40589       5.520390  25.34780       5.695337  468.7590 86.39715 549.5663 75.19856 -80.80731      114.5395 
1 1 1 3  2  37 o 138.8474 65.24081 -1.760460      3.268916  4.602108       4.570226  -8.425315      4.677533  222.5489 91.13622 129.3817 64.42580 93.16728       111.6087 
1 1 1 3  2  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  3  0  o 1216.024 12.42874 104.6821       2.138390  104.6821       2.138390  104.6821       2.138390  1216.024 12.42874 1216.024 12.42874 0.000000       0.000000 
1 1 1 3  3  2  o 1470.032 10.01763 152.9410       2.084067  157.7026       3.019212  148.6074       2.880323  1492.598 14.29325 1448.927 14.04672 43.67114       20.04015 
1 1 1 3  3  4  o 940.8640 9.474377 62.64916       1.261529  60.68940       1.719028  64.93639       1.857106  925.9612 13.11808 957.7986 13.70070 -31.83740      18.96821 
1 1 1 3  3  6  o 842.4350 12.24447 50.23219       1.459809  49.03766       2.041871  51.48113       2.087862  832.2432 17.33637 852.7268 17.30104 -20.48364      24.49236 
1 1 1 3  3  8  o 2720.839 27.61869 524.5709       10.63471  522.5680       18.23568  525.6033       13.09143  2711.920 47.51439 2722.536 33.97767 -10.61548      58.41318 
1 1 1 3  3  10 o 3666.841 36.04681 953.8409       18.70590  960.1824       23.14690  941.9027       31.75916  3676.574 44.48666 3634.927 61.73813 41.64648       76.09638 
1 1 1 3  3  12 o 1305.968 16.31341 120.7606       3.015067  124.5511       4.342364  117.2320       4.189635  1325.889 23.14192 1286.350 23.01426 39.53809       32.63747 
1 1 1 3  3  14 o 1829.522 19.78822 237.1415       5.123467  239.4337       7.344905  234.9691       7.150365  1837.152 28.25019 1820.022 27.76078 17.12939       39.60725 
1 1 1 3  3  16 o 1291.344 17.95053 118.1872       3.280493  117.6147       4.600786  118.7793       4.678833  1287.203 25.25604 1293.511 25.55923 -6.307617      35.93246 
1 1 1 3  3  18 o 859.1097 24.81005 52.50518       3.013290  52.87500       4.375134  52.17144       4.156163  859.6063 36.04432 854.2701 34.44841 5.336121       49.85866 
1 1 1 3  3  20 o 1621.556 23.73660 186.9008       5.447162  189.7500       6.856990  182.0273       8.967987  1631.798 29.69253 1593.817 39.75911 37.98096       49.62291 
1 1 1 3  3  22 o 313.7242 39.95402 7.134789       1.733705  5.490352       2.148341  10.20551       2.935719  271.1497 57.75557 372.3265 57.57038 -101.1768      81.54787 
1 1 1 3  3  24 o 972.7253 24.45138 67.18330       3.363326  64.95491       4.150462  71.44535       5.739991  955.4930 30.73367 1000.146 40.63809 -44.65332      50.95108 
1 1 1 3  3  26 f 423.8126 36.61921 12.91792       2.174831  11.75866       2.637908  15.37823       3.842931  401.9789 47.27253 456.7526 60.97301 -54.77365      77.15179 
1 1 1 3  3  28 o 531.8748 44.54732 20.49915       3.322358  24.26243       4.742015  16.87083       4.656207  574.0641 59.21789 473.1352 71.78998 100.9289       93.06212 
1 1 1 3  3  30 f 788.8602 40.39494 44.99905       4.494676  46.90998       6.467712  43.21421       6.250704  796.7119 57.75481 764.2679 58.22979 32.44403       82.01419 
1 1 1 3  3  32 o 831.8231 39.36137 50.51938       4.620481  46.77921       6.765853  53.78811       6.325089  783.2056 61.53561 847.9243 52.97425 -64.71875      81.19669 
1 1 1 3  3  34 o 236.6099 81.27615 4.624206       3.287267  3.613008       5.020099  5.383283       4.349481  232.7197 95.43315 252.8719 92.79282 -20.15221      133.1089 
1 1 1 3  3  36 o 181.8005 73.00410 2.199692       2.867039  3.149602       4.080979  1.273947       4.028737  207.8443 85.72366 184.8548 80.90337 22.98944       117.8724 
1 1 1 3  3  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  3  40 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  4  1  o 1291.410 9.193721 118.0282       1.680255  116.4535       2.349490  119.6768       2.403924  1282.667 12.94314 1300.294 13.06350 -17.62622      18.38967 
1 1 1 3  4  3  o 1898.388 12.98867 255.0909       3.489549  257.1161       4.670115  252.5309       5.250680  1905.678 17.31643 1888.459 19.64664 17.21899       26.18873 
1 1 1 3  4  5  o 814.1465 10.22032 46.91142       1.177570  45.71130       1.466618  49.08882       1.975481  803.6191 12.89576 832.6909 16.76368 -29.07178      21.14997 
1 1 1 3  4  7  o 1106.088 15.82888 86.61043       2.477763  91.06613       4.531067  84.70963       2.959449  1133.612 28.24336 1093.768 19.11904 39.84387       34.10609 
1 1 1 3  4  9  o 609.4996 13.72721 26.29610       1.184065  25.88913       1.666605  26.71089       1.682549  604.3409 19.51195 613.8737 19.39162 -9.532715      27.50911 
1 1 1 3  4  11 o 1804.241 18.61043 230.5196       4.751936  230.6014       6.705607  230.4372       6.734995  1803.883 26.26698 1803.227 26.39168 0.6553955      37.23540 
1 1 1 3  4  13 o 270.7912 24.53330 5.239890       0.9299874 3.930012       1.285539  6.678042       1.347015  231.7840 40.67333 305.1540 31.65041 -73.36993      51.53705 
1 1 1 3  4  15 f 517.7889 19.19173 19.02699       1.403895  18.22087       2.038439  19.75435       1.936310  505.7654 28.59575 526.9686 26.04462 -21.20325      38.67867 
1 1 1 3  4  17 o 1021.551 18.28378 74.00552       2.643297  73.57922       3.582441  74.51495       3.916187  1017.654 24.87476 1023.372 27.06397 -5.717346      36.75884 
1 1 1 3  4  19 o 1131.012 25.73314 91.00446       4.118888  93.03252       5.910329  89.08945       5.743239  1139.821 36.68779 1115.472 36.43018 24.34851       51.70253 
1 1 1 3  4  21 o 1692.171 44.79235 205.4112       10.71731  205.4112       10.71731  0.000000       0.000000  1692.171 44.79235 ?        ?        ?              ?        
1 1 1 3  4  23 o 1585.806 24.80467 178.4603       5.566771  179.5209       7.008193  176.6469       9.163480  1589.190 31.16092 1573.229 41.19290 15.96094       51.65131 
1 1 1 3  4  25 f 852.0711 25.43499 51.60940       3.063661  51.93253       3.908461  51.09448       4.933863  853.5245 32.41605 844.6332 41.40230 8.891235       52.58279 
1 1 1 3  4  27 o 487.5992 34.98389 17.07333       2.398032  19.03060       3.141014  14.33840       3.712941  512.9110 43.68752 439.7261 61.33089 73.18494       75.29992 
1 1 1 3  4  29 o 704.4097 39.21881 35.77038       3.894231  42.42965       6.303561  31.66013       4.952294  758.7686 59.17003 657.2330 53.71161 101.5356       79.91264 
1 1 1 3  4  31 o 421.9712 61.63455 13.56047       3.572079  7.617288       5.531345  17.81217       4.678459  305.5416 105.4105 479.4659 71.09942 -173.9242      127.1475 
1 1 1 3  4  33 o 341.0275 74.21394 9.565345       3.479760  7.437942       5.014675  11.54108       4.832621  289.8922 100.3500 361.3455 93.71911 -71.45325      137.3077 
1 1 1 3  4  35 o 324.3427 78.50331 9.204959       3.564226  5.269427       5.339624  12.36768       4.786733  248.4120 99.67165 363.9113 92.70047 -115.4993      136.1169 
1 1 1 3  4  37 o 128.1931 60.87338 -2.247613      2.988505  -5.657887      4.305806  0.9221582      4.151202  134.2949 65.92232 177.4751 79.63525 -43.18022      103.3805 
1 1 1 3  4  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  5  0  f 1100.638 11.99408 85.76141       1.867735  85.76141       1.867735  85.76141       1.867735  1100.638 11.99408 1100.638 11.99408 -0.000000      0.000000 
1 1 1 3  5  2  o 959.5316 8.028644 65.15690       1.090238  65.36970       1.548737  64.94785       1.535013  961.0389 11.38720 957.9343 11.32287 3.104614       16.05851 
1 1 1 3  5  4  o 745.7994 8.662414 39.36356       0.9142832 38.88438       1.280206  39.86237       1.306168  741.1953 12.20471 750.4568 12.29854 -9.261475      17.32654 
1 1 1 3  5  6  o 1099.640 13.41441 85.59253       2.087574  86.67819       2.960180  84.51838       2.944435  1106.410 18.90524 1092.533 19.04354 13.87683       26.83402 
1 1 1 3  5  8  f 1099.621 14.03079 85.59251       2.183459  84.19827       3.053130  87.05206       3.123837  1090.430 19.78461 1108.751 19.90832 -18.32031      28.06728 
1 1 1 3  5  10 o 521.2880 16.89102 19.26021       1.244456  21.84595       1.634684  15.69600       1.919212  554.9918 20.84973 469.6700 29.01590 85.32187       35.73001 
1 1 1 3  5  12 o 1016.657 17.51779 73.19553       2.520424  72.95833       4.206841  73.32835       3.147951  1013.858 29.35057 1017.353 21.86434 -3.495239      36.59925 
1 1 1 3  5  14 o 1136.133 18.60478 91.45213       2.991393  91.36916       3.747187  91.59792       4.966987  1135.210 23.32435 1135.363 30.94167 -0.1528320     38.74806 
1 1 1 3  5  16 o 1221.009 20.26418 105.7406       3.501611  106.0272       4.417139  105.2559       5.744402  1221.824 25.54540 1215.319 33.43085 6.504395       42.07362 
1 1 1 3  5  18 o 527.4115 28.04745 19.86093       2.085924  21.74299       2.999354  18.09798       2.902894  549.7229 38.80285 500.7063 41.33431 49.01663       56.69379 
1 1 1 3  5  20 o 656.2361 23.49095 30.64044       2.178108  34.13420       2.908598  26.17976       3.286530  691.5633 29.78871 603.6053 38.67729 87.95801       48.81905 
1 1 1 3  5  22 o 701.4008 47.27323 35.36411       4.665060  35.36411       4.665060  0.000000       0.000000  701.4008 47.27323 ?        ?        ?              ?        
1 1 1 3  5  24 o 802.3090 24.99625 45.73258       2.834693  46.70738       3.632440  44.21431       4.533319  809.8284 31.75619 786.2031 40.88428 23.62524       51.76852 
1 1 1 3  5  26 o 730.9234 27.71913 38.06831       2.862092  38.00941       3.572771  38.17381       4.781700  728.9165 34.73433 727.3264 46.70187 1.590149       58.20256 
1 1 1 3  5  28 o 457.5227 38.70383 15.11763       2.482543  13.10154       3.044369  19.11910       4.288958  422.1425 52.06044 508.0096 60.86713 -85.86716      80.09430 
1 1 1 3  5  30 o 244.2667 79.25961 4.517189       3.133093  10.47611       4.878953  0.3354097      4.087177  358.0814 94.80151 192.6355 82.90575 165.4460       125.9392 
1 1 1 3  5  32 f 792.9269 39.72641 46.03764       4.443721  42.14196       6.688751  49.11560       5.945452  738.4990 64.65067 809.3488 52.18555 -70.84979      83.08454 
1 1 1 3  5  34 o 342.2383 72.44977 9.766410       3.399520  6.265751       4.771214  13.37607       4.844929  265.6396 97.23473 386.8046 90.17657 -121.1650      132.6138 
1 1 1 3  5  36 o 116.2844 56.69805 -4.241451      3.029132  0.7595172      4.253038  -9.389957      4.315319  180.9316 80.93964 120.2515 60.18486 60.68011       100.8635 
1 1 1 3  5  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  6  1  o 1250.652 9.192549 110.6959       1.627018  110.3992       2.298807  110.9937       2.303100  1248.876 13.00659 1252.234 12.99593 -3.358643      18.38656 
1 1 1 3  6  3  o 1885.577 13.00180 251.6609       3.469505  261.7183       5.465347  244.8718       4.490333  1922.464 20.08814 1859.757 17.06092 62.70679       26.35542 
1 1 1 3  6  5  o 1226.009 10.71926 106.3826       1.859852  108.9743       2.672813  103.9497       2.589615  1240.718 15.22214 1211.781 15.10050 28.93689       21.44152 
1 1 1 3  6  7  o 949.9266 13.21266 63.87226       1.776234  62.59917       2.481460  65.20995       2.543641  940.2590 18.64833 959.6635 18.72911 -19.40448      26.42990 
1 1 1 3  6  9  f 1142.299 14.74462 92.37283       2.383600  95.16087       3.462753  89.86211       3.286023  1159.137 21.10897 1126.427 20.61331 32.70984       29.50419 
1 1 1 3  6  11 o 1045.426 16.90915 77.38946       2.501697  74.01168       3.079536  83.94431       4.289940  1022.146 21.28886 1087.786 27.88985 -65.63983      35.08646 
1 1 1 3  6  13 o 893.3668 15.91385 56.52119       2.011985  56.43610       2.821107  56.60929       2.870283  892.0532 22.36411 893.3893 22.72044 -1.336121      31.88059 
1 1 1 3  6  15 o 321.5935 27.27498 7.397620       1.229645  7.362894       1.602304  7.447371       1.917900  319.5486 36.06049 320.0698 43.46298 -0.5212402     56.47468 
1 1 1 3  6  17 o 645.1240 24.43191 29.61930       2.226563  27.65223       3.075342  31.78631       3.227861  621.3791 35.11462 666.5132 34.33624 -45.13409      49.11226 
1 1 1 3  6  19 f 736.0010 22.47108 38.52636       2.337831  37.78322       2.962343  39.75343       3.806564  727.6679 28.82320 744.6469 36.23000 -16.97894      46.29676 
1 1 1 3  6  21 o 1387.492 23.13322 136.6537       4.542410  131.7443       5.611767  145.9828       7.735744  1361.084 29.13365 1429.666 38.26825 -68.58167      48.09603 
1 1 1 3  6  23 o 2463.622 29.89751 431.2756       10.42387  434.6695       13.12937  425.4885       17.14444  2470.318 37.55531 2438.084 49.68836 32.23389       62.28430 
1 1 1 3  6  25 o 522.5256 32.64419 19.52321       2.401918  20.79086       2.948544  17.02266       4.141191  538.1241 38.98159 480.9580 62.30388 57.16617       73.49379 
1 1 1 3  6  27 o 848.9948 27.62333 51.38705       3.314533  53.02810       4.227800  48.76968       5.339310  860.5910 34.78514 821.5912 46.10578 38.99976       57.75594 
1 1 1 3  6  29 o 698.6860 32.32188 35.01097       3.187280  35.31884       4.196878  34.59145       4.899161  698.3160 42.67102 687.8309 50.68523 10.48505       66.25562 
1 1 1 3  6  31 o 788.6737 39.52519 45.29630       4.397489  44.25050       6.708973  46.08405       5.822742  763.4586 62.64465 787.0556 52.57754 -23.59705      81.78478 
1 1 1 3  6  33 o 209.0687 78.45654 3.142505       3.141705  4.885708       4.963495  1.977262       4.058093  250.5040 97.45856 203.2103 84.79050 47.29366       129.1805 
1 1 1 3  6  35 o 323.6689 63.42080 8.645492       2.801104  6.643204       3.575125  11.82872       4.507774  269.0372 84.38312 355.7498 89.59885 -86.71255      123.0791 
1 1 1 3  6  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  6  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  7  0  o 1866.204 17.08140 246.5681       4.510456  246.5681       4.510456  246.5681       4.510456  1866.204 17.08140 1866.204 17.08140 -0.000000      0.000000 
1 1 1 3  7  2  o 1267.602 9.404017 113.7177       1.687004  113.3026       2.378844  114.1376       2.392784  1265.181 13.28597 1269.833 13.31487 -4.652100      18.80965 
1 1 1 3  7  4  o 897.9766 9.115767 57.06739       1.158452  57.24881       1.640611  56.88699       1.635996  899.3322 12.89038 896.4857 12.89493 2.846436       18.23297 
1 1 1 3  7  6  o 1092.414 15.34653 84.48084       2.372560  83.42985       2.928866  86.48683       4.046350  1085.466 19.06618 1104.853 25.87852 -19.38684      32.14369 
1 1 1 3  7  8  o 1557.414 16.56996 171.7289       3.652122  176.8102       5.270968  167.0370       5.064952  1579.830 23.57547 1535.567 23.30703 44.26318       33.15147 
1 1 1 3  7  10 o 1520.219 16.90186 163.6436       3.636305  161.1961       5.050472  166.2780       5.239773  1508.313 23.66033 1531.860 24.16984 -23.54688      33.82295 
1 1 1 3  7  12 o 447.4786 19.70149 14.21324       1.244587  12.77559       1.543852  16.88186       2.103402  423.6860 25.87124 486.7778 30.68937 -63.09180      40.13923 
1 1 1 3  7  14 o 407.9474 22.50052 11.83919       1.293991  12.10069       1.687923  11.46644       2.015234  411.7056 29.15851 399.7651 36.00600 11.94043       46.33196 
1 1 1 3  7  16 o 1076.124 23.63922 82.25535       3.600106  77.54337       4.856110  88.00534       5.364390  1042.475 32.95710 1110.296 34.18058 -67.82056      47.48139 
1 1 1 3  7  18 o 689.1411 21.13688 33.76165       2.058994  33.64693       2.616034  33.94841       3.337822  686.9716 26.96055 688.4383 34.36797 -1.466736      43.68099 
1 1 1 3  7  20 o 882.7225 22.76922 55.37054       2.842035  53.89713       3.517162  58.14255       4.824229  869.8235 28.61098 901.2240 37.90935 -31.40051      47.49429 
1 1 1 3  7  22 o 954.1172 44.70507 65.18287       6.019620  65.18287       6.019620  0.000000       0.000000  954.1172 44.70507 ?        ?        ?              ?        
1 1 1 3  7  24 o 395.1412 36.07009 11.21785       1.994844  13.13642       2.616567  8.554896       3.082660  426.4116 43.99003 338.0194 66.81059 88.39215       79.99236 
1 1 1 3  7  26 o 582.0971 31.00031 24.22530       2.544558  26.08900       3.301647  21.49898       3.993303  602.3875 38.93747 542.9136 52.63298 59.47388       65.47028 
1 1 1 3  7  28 o 1059.118 27.81965 80.03862       4.166198  80.20928       5.311648  79.76577       6.716240  1057.480 35.54306 1050.153 45.29774 7.327515       57.57772 
1 1 1 3  7  30 o 451.3895 46.63142 15.00630       2.936024  12.93523       3.774380  18.17979       4.672149  410.1499 67.36189 486.3201 69.89016 -76.17020      97.06832 
1 1 1 3  7  32 o 604.7255 39.75752 26.90426       3.383621  25.95569       4.427931  28.23553       5.245647  584.5637 54.13912 603.3551 62.32990 -18.79138      82.55943 
1 1 1 3  7  34 o 240.7849 73.63608 4.916612       2.742276  4.064301       3.522345  6.228188       4.369476  224.5317 83.30767 262.6045 93.45381 -38.07275      125.1950 
1 1 1 3  7  36 o 281.8066 66.61150 6.963145       2.614315  2.652652       3.128637  16.93721       4.759131  188.3765 76.04480 425.3339 82.03677 -236.9574      111.8608 
1 1 1 3  7  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  8  1  f 1297.490 9.614742 119.1447       1.765475  118.5063       2.483441  119.7970       2.510293  1293.896 13.56234 1300.921 13.63495 -7.024658      19.23146 
1 1 1 3  8  3  o 866.3097 8.561338 53.11254       1.049626  53.73862       1.588675  52.62753       1.398278  871.3235 12.88356 862.2975 11.45821 9.026001       17.24171 
1 1 1 3  8  5  f 507.1058 8.373995 18.19892       0.6009676 17.30523       0.8262984 19.20253       0.8756394 494.4650 11.80814 520.8651 11.87901 -26.40015      16.74942 
1 1 1 3  8  7  o 562.1058 13.50652 22.36616       1.074438  20.80041       1.487113  24.07607       1.554067  541.6157 19.43289 582.7867 18.86745 -41.17102      27.08538 
1 1 1 3  8  9  o 1165.680 16.79732 96.21454       2.771017  93.76821       3.435946  100.7659       4.686604  1150.542 21.10201 1192.238 27.77637 -41.69568      34.88297 
1 1 1 3  8  11 o 150.0218 39.44860 1.657830       0.8485082 3.260365       1.144445  -0.2984141     1.264454  210.7379 39.83270 103.4538 45.29983 107.2841       60.32179 
1 1 1 3  8  13 o 811.8613 18.04900 46.70374       2.073743  50.63682       2.769682  41.68587       3.128405  844.6609 23.19204 765.6433 28.92399 79.01764       37.07381 
1 1 1 3  8  15 o 455.7264 22.00110 14.77499       1.414762  14.74633       1.842517  14.81616       2.208360  454.4180 28.79892 454.5847 34.58656 -0.1666870     45.00675 
1 1 1 3  8  17 o 1326.280 24.30967 125.0777       4.562827  124.1968       6.513318  125.9266       6.393960  1317.731 34.95742 1327.238 34.06910 -9.506348      48.81316 
1 1 1 3  8  19 o 151.3879 49.12828 1.603868       1.203719  1.462503       1.562605  1.810184       1.887750  154.4962 55.77790 170.4579 61.33726 -15.96165      82.90617 
1 1 1 3  8  21 o 768.4149 22.85489 41.93365       2.482628  40.88269       3.134993  43.70117       4.065620  757.8282 29.28628 782.2163 36.82997 -24.38812      47.05458 
1 1 1 3  8  23 f 1343.761 46.39198 129.2970       8.809128  129.2970       8.809128  0.000000       0.000000  1343.761 46.39198 ?        ?        ?              ?        
1 1 1 3  8  25 o 679.8137 32.19640 33.01891       3.088739  32.90927       4.506660  33.11604       4.241649  674.8984 47.48733 677.8834 44.45940 -2.985046      65.05141 
1 1 1 3  8  27 o 1127.362 26.12954 90.49483       4.168837  87.25871       5.169344  96.51447       7.050323  1104.465 33.10964 1157.312 43.12199 -52.84766      54.36685 
1 1 1 3  8  29 o 232.1329 68.38445 4.120092       2.398146  2.786778       3.019697  6.397185       3.946277  208.9128 77.20398 285.2430 88.53153 -76.33011      117.4661 
1 1 1 3  8  31 o 608.6717 32.43919 26.82859       2.784207  26.06753       3.287793  28.75795       5.234839  596.8608 39.13943 612.9905 61.15879 -16.12970      72.61056 
1 1 1 3  8  33 o 363.4554 63.84731 10.59938       3.164300  9.656398       3.933724  12.32821       5.326355  332.8751 83.62256 362.3316 100.4067 -29.45651      130.6684 
1 1 1 3  8  35 o 217.8698 71.76151 4.112671       2.563856  1.707268       3.154272  8.796091       4.401359  178.0792 74.56156 296.2504 93.72328 -118.1712      119.7643 
1 1 1 3  8  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  8  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  9  0  o 2353.300 20.80498 392.1284       6.927683  392.1284       6.927683  392.1284       6.927683  2353.300 20.80498 2353.300 20.80498 0.000000       0.000000 
1 1 1 3  9  2  o 1327.551 10.50786 124.7342       1.974174  126.2511       3.018552  123.6003       2.609675  1335.411 15.97217 1321.395 13.95513 14.01611       21.20980 
1 1 1 3  9  4  o 522.7541 8.428836 19.33956       0.6235695 19.64591       0.8866022 19.03967       0.8771939 526.8410 11.89130 518.6478 11.95097 8.193176       16.85909 
1 1 1 3  9  6  f 643.1382 10.75589 29.27567       0.9789724 29.60043       1.107680  28.11675       2.092464  646.6742 12.10344 629.5450 23.52753 17.12921       26.45823 
1 1 1 3  9  8  o 1115.084 16.27245 88.04080       2.567914  88.12591       3.243854  87.89794       4.202748  1115.410 20.54977 1113.576 26.66819 1.833374       33.66727 
1 1 1 3  9  10 f 853.3561 16.24695 51.56905       1.962104  49.83826       2.464845  54.56297       3.241810  838.7064 20.76633 876.8469 26.15348 -38.14050      33.39529 
1 1 1 3  9  12 o 859.3934 17.31368 52.32386       2.105723  52.53283       2.729120  52.01645       3.310171  860.4642 22.43058 855.6558 27.37099 4.808411       35.38788 
1 1 1 3  9  14 o 1060.178 21.34081 79.74717       3.201911  81.45834       4.631366  78.18043       4.431610  1069.540 30.62949 1047.936 29.91243 21.60413       42.81261 
1 1 1 3  9  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  9  18 o 752.7353 21.17864 40.27657       2.253866  40.83453       2.944706  39.48734       3.502188  756.7524 27.54186 742.8093 33.40063 13.94312       43.29153 
1 1 1 3  9  20 f 846.1584 24.61640 50.88672       2.944653  51.36139       4.260618  50.45265       4.074358  848.0811 35.57797 840.7999 34.31312 7.281250       49.42855 
1 1 1 3  9  22 o 2121.265 27.26985 319.5581       8.186484  325.3217       10.48665  310.5649       13.09923  2137.936 34.65951 2085.003 44.39348 52.93286       56.32107 
1 1 1 3  9  24 o 987.3972 24.22712 69.24923       3.385427  70.36430       4.416707  67.66090       5.271291  993.5445 31.45132 972.5098 38.37573 21.03473       49.61736 
1 1 1 3  9  26 o 1025.703 25.68369 74.91621       3.725266  71.65514       4.651985  80.74562       6.219721  1001.100 32.87992 1059.551 41.55972 -58.45111      52.99339 
1 1 1 3  9  28 o 181.7794 62.33536 2.271753       1.933421  1.376013       2.297380  4.446257       3.579496  168.9161 66.13456 247.5192 84.81877 -78.60316      107.5547 
1 1 1 3  9  30 o 288.8611 57.24038 6.414562       2.257231  7.652374       2.723949  3.701754       4.032564  313.6302 63.55046 234.2437 88.67107 79.38646       109.0927 
1 1 1 3  9  32 o 155.4144 64.20617 0.9081817      2.294498  -1.816234      2.657486  8.887708       4.548025  129.3358 60.12756 314.5734 94.54607 -185.2377      112.0459 
1 1 1 3  9  34 o 224.8508 71.97198 4.295046       2.589245  1.350917       3.240743  9.491684       4.305538  177.0796 74.93914 316.8025 91.14730 -139.7229      117.9987 
1 1 1 3  9  36 o 475.6519 53.13528 18.40575       3.515749  15.84550       4.705959  21.63968       5.288995  402.6479 85.24475 478.7595 80.94351 -76.11160      117.5522 
1 1 1 3  9  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  10 1  o 902.8947 9.226633 57.69533       1.178963  58.00361       1.580770  57.30890       1.769810  905.2407 12.33914 899.7651 13.89881 5.475586       18.58578 
1 1 1 3  10 3  o 877.1044 9.530636 54.44731       1.183022  55.65357       1.700501  53.31593       1.646879  886.6793 13.55160 867.8615 13.40885 18.81787       19.06419 
1 1 1 3  10 5  o 344.3148 8.693085 8.395609       0.4232548 8.907271       0.5819165 7.820864       0.6167462 354.5507 11.61312 332.1297 13.14734 22.42102       17.54187 
1 1 1 3  10 7  o 183.5115 18.34343 2.408739       0.4700139 2.499819       0.5094606 1.887972       1.218203  186.8498 19.55559 162.2858 48.96665 24.56393       52.72717 
1 1 1 3  10 9  f 1347.925 17.96542 128.6900       3.427070  127.5491       4.307654  130.6574       5.656605  1341.548 22.68897 1357.074 29.45321 -15.52563      37.17904 
1 1 1 3  10 11 o 637.2859 17.69107 28.79618       1.593999  29.40980       2.160046  28.06247       2.361973  643.5288 23.75863 628.3009 26.62398 15.22791       35.68345 
1 1 1 3  10 13 o 486.1841 19.80876 16.79119       1.360089  16.96268       1.786865  16.55499       2.097074  487.9879 25.96745 481.3963 30.94551 6.591553       40.39719 
1 1 1 3  10 15 o 200.6963 47.33059 3.013600       1.322331  1.574943       1.724295  5.067739       2.060384  161.1131 58.53311 259.4214 57.61974 -98.30830      82.13501 
1 1 1 3  10 17 o 97.41453 42.78951 -0.2756007     1.136183  0.2307976      1.498274  -0.9608986     1.742949  122.9162 51.42102 111.9758 50.79471 10.94038       72.27879 
1 1 1 3  10 19 f 489.9141 25.47445 17.10149       1.760152  18.76088       2.401106  15.17396       2.587831  511.9863 33.31953 458.9368 40.25114 53.04947       52.25270 
1 1 1 3  10 21 o 888.9256 22.76145 56.09447       2.861065  52.77301       3.575480  62.00711       4.770462  861.2563 29.37774 932.3817 36.22212 -71.12543      46.63790 
1 1 1 3  10 23 o 904.6145 31.33065 58.30847       4.004946  58.30847       4.004946  0.000000       0.000000  904.6145 31.33065 ?        ?        ?              ?        
1 1 1 3  10 25 o 631.5000 24.55726 28.40188       2.190506  29.60822       2.630788  25.67503       3.955335  643.9932 28.93981 595.0851 47.35642 48.90808       55.49903 
1 1 1 3  10 27 o 107.3361 51.13662 -2.668633      2.143982  -2.079638      2.723778  -3.627920      3.476085  132.4693 61.33830 140.6944 66.46597 -8.225052      90.44397 
1 1 1 3  10 29 o 174.7260 63.86536 1.945285       2.057226  0.6114464E-02  2.390023  7.490369       4.041553  146.6931 63.26772 303.8286 88.57634 -157.1355      108.8512 
1 1 1 3  10 31 o 302.1914 54.75766 7.073738       2.255581  4.730866       2.595995  14.29105       4.556352  241.4740 71.15292 415.1299 80.46122 -173.6558      107.4092 
1 1 1 3  10 33 o 303.5787 58.11803 7.374350       2.405996  7.617688       2.864426  6.791333       4.433772  302.1815 68.55968 271.3842 94.33620 30.79736       116.6180 
1 1 1 3  10 35 o 385.0174 59.45152 12.32307       3.135180  11.00163       4.106880  14.16885       4.853749  335.6917 86.05350 375.2905 92.08955 -39.59885      126.0384 
1 1 1 3  10 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  11 0  o 1609.038 18.65167 183.3452       4.245926  183.3452       4.245926  183.3452       4.245926  1609.038 18.65167 1609.038 18.65167 0.000000       0.000000 
1 1 1 3  11 2  o 1608.822 14.30695 183.2364       3.257427  182.3314       5.208122  183.8178       4.174780  1604.246 22.93983 1611.128 18.30980 -6.882202      29.35106 
1 1 1 3  11 4  o 1556.766 15.40630 171.5880       3.394231  170.2193       5.007437  172.7514       4.616673  1550.010 22.82765 1561.656 20.88930 -11.64673      30.94292 
1 1 1 3  11 6  o 1874.814 21.10960 249.0161       5.600902  255.5417       7.141103  238.5851       9.028502  1898.555 26.57800 1833.241 34.79977 65.31421       43.78829 
1 1 1 3  11 8  o 1830.380 21.06663 237.4028       5.457026  243.8285       6.990733  227.3798       8.730959  1854.201 26.64072 1789.205 34.48117 64.99609       43.57384 
1 1 1 3  11 10 o 1481.647 19.25637 155.5754       4.037744  151.9872       5.006816  162.2496       6.828549  1463.820 24.16876 1511.082 31.93159 -47.26270      40.04691 
1 1 1 3  11 12 o 394.6699 27.89325 11.12509       1.547912  8.826196       2.790972  12.14637       1.860229  345.1621 59.27080 411.8717 32.16927 -66.70959      67.43804 
1 1 1 3  11 14 o 683.3734 18.92468 33.16103       1.828471  31.92030       2.351516  35.05834       2.907898  669.6024 24.85798 700.9622 29.37843 -31.35986      38.48391 
1 1 1 3  11 16 o 805.0140 19.59720 46.01180       2.232633  46.64170       2.929977  45.13965       3.447650  809.1374 25.61945 794.8154 30.70824 14.32202       39.99191 
1 1 1 3  11 18 o 654.4810 18.34488 30.40747       1.697474  31.61136       2.053415  27.80924       3.016642  666.8864 21.78654 623.3245 34.32971 43.56189       40.65934 
1 1 1 3  11 20 o 335.1965 27.51758 8.034884       1.293875  8.309216       1.589381  7.495858       2.227899  340.0722 33.45732 319.5136 50.98277 20.55862       60.98061 
1 1 1 3  11 22 o 774.4461 19.83322 42.55919       2.171934  44.09333       2.620900  39.19596       3.880559  787.8429 23.53305 740.5477 37.14585 47.29523       43.97293 
1 1 1 3  11 24 o 1103.562 39.21990 87.32217       6.115499  87.32217       6.115499  0.000000       0.000000  1103.562 39.21990 ?        ?        ?              ?        
1 1 1 3  11 26 o 186.4510 56.95744 2.553907       1.641289  2.387414       1.980273  2.919240       2.933408  185.8988 63.10044 211.7897 76.42821 -25.89087      99.11073 
1 1 1 3  11 28 f 461.9714 34.48742 15.41733       2.238466  15.42435       2.707547  15.40215       3.979011  459.8044 42.07443 450.8080 64.17887 8.996399       76.74103 
1 1 1 3  11 30 o 333.6314 50.51595 8.441212       2.310593  5.822414       2.702200  15.56349       4.456316  268.6410 70.28193 440.8103 74.05730 -172.1693      102.0982 
1 1 1 3  11 32 o 193.5932 67.62518 2.865593       2.279926  0.9030617      2.673535  8.097794       4.365357  162.5888 68.39615 297.4336 93.23719 -134.8448      115.6339 
1 1 1 3  11 34 o 197.9173 70.38410 3.235423       2.478072  6.398704       3.196334  -1.530662      3.923414  263.6686 79.26396 156.3397 72.80862 107.3289       107.6284 
1 1 1 3  11 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  11 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  12 1  o 1673.895 14.96357 198.3802       3.544731  201.6389       5.758545  196.3921       4.497876  1686.805 24.12282 1665.183 19.08647 21.62158       30.76043 
1 1 1 3  12 3  o 1581.399 15.83917 177.0791       3.544815  173.4871       5.110453  180.4099       4.921154  1564.682 23.07882 1595.719 21.79168 -31.03784      31.74129 
1 1 1 3  12 5  o 330.7359 12.17125 7.754064       0.5687153 6.706805       1.123973  8.114453       0.6593484 306.4487 26.16673 338.2610 13.80246 -31.81232      29.58388 
1 1 1 3  12 7  o 898.3730 15.83881 57.15837       2.013721  56.55983       2.555920  58.13799       3.269835  893.4133 20.21506 905.0519 25.55451 -11.63861      32.58345 
1 1 1 3  12 9  o 272.7170 15.21932 5.284435       0.5850611 4.732438       0.6340760 8.446411       1.517582  257.8502 17.47949 343.3176 31.58849 -85.46744      36.10215 
1 1 1 3  12 11 o 264.1674 19.62896 4.976222       0.7285874 5.546125       0.8433557 3.299325       1.446649  278.7593 21.54482 210.2985 49.44540 68.46082       53.93540 
1 1 1 3  12 13 o 572.6664 15.36716 23.26460       1.244292  22.66780       1.443480  24.99051       2.454740  564.9916 18.07625 591.5920 29.41220 -26.60040      34.52287 
1 1 1 3  12 15 o 1050.837 17.62273 78.35465       2.620765  78.80795       3.255169  77.51942       4.418555  1053.090 21.84179 1042.067 29.99280 11.02344       37.10299 
1 1 1 3  12 17 f 538.0632 18.25459 20.56264       1.388021  22.03115       1.692382  17.54498       2.426029  556.5698 21.52675 494.4080 34.89714 62.16180       41.00258 
1 1 1 3  12 19 o 346.6214 26.36639 8.582928       1.283675  8.214089       1.539274  9.425262       2.326163  338.1861 32.56393 359.8952 46.77709 -21.70914      56.99567 
1 1 1 3  12 21 o 1445.825 19.71605 148.2212       4.034182  147.1216       4.748534  151.0735       7.647942  1439.868 23.30329 1455.413 37.16156 -15.54565      43.86370 
1 1 1 3  12 23 o 436.1049 26.35953 13.57513       1.619258  12.44165       1.922777  16.33957       3.002795  416.3968 32.89590 474.9244 45.22190 -58.52768      55.92102 
1 1 1 3  12 25 o 696.3970 23.99036 34.54171       2.360828  33.07569       2.836876  37.84393       4.257688  680.2917 29.53667 724.2936 41.71386 -44.00189      51.11224 
1 1 1 3  12 27 o 267.8806 60.97510 5.498106       2.259517  5.794003       3.040093  5.132920       3.377325  272.4748 75.98786 258.8848 82.12392 13.59000       111.8861 
1 1 1 3  12 29 o 149.9975 60.62671 0.9114599      1.991323  1.867909       2.346362  -1.551242      3.765043  177.0325 67.49116 162.7971 74.16335 14.23543       100.2759 
1 1 1 3  12 31 o 168.5419 63.75521 1.828812       2.083864  1.940241       2.470447  1.553977       3.879825  177.2938 68.81785 194.3347 82.10673 -17.04089      107.1327 
1 1 1 3  12 33 o 112.4812 52.96600 -1.828898      2.175156  -3.512399      2.552881  2.631135       4.155210  109.5150 53.08667 204.6947 85.63280 -95.17976      100.7530 
1 1 1 3  12 35 o 336.2691 66.15812 9.986759       3.036202  6.048252       4.020999  15.21089       4.631002  239.0889 88.95222 391.0011 86.03060 -151.9122      123.7488 
1 1 1 3  12 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  13 0  o 509.4584 16.38054 18.43005       1.178251  18.43005       1.178251  18.43005       1.178251  509.4584 16.38054 509.4584 16.38054 0.000000       0.000000 
1 1 1 3  13 2  o 734.1368 11.63323 38.15280       1.208641  39.78634       2.040219  37.26953       1.500227  749.1679 19.25919 725.5010 14.61165 23.66687       24.17471 
1 1 1 3  13 4  o 912.5760 12.59325 58.96038       1.626397  57.76949       2.535992  59.79241       2.119724  902.9545 19.84551 918.8262 16.30145 -15.87177      25.68232 
1 1 1 3  13 6  o 507.7279 17.17512 18.28273       1.232324  18.78045       1.605799  17.56965       1.922073  514.2208 22.11763 496.8226 27.44348 17.39819       35.24676 
1 1 1 3  13 8  o 171.5106 38.50681 2.178797       0.9116935 0.6601690      1.191431  4.324318       1.416151  122.4437 47.71686 242.6384 42.80519 -120.1947      64.10291 
1 1 1 3  13 10 o 352.6544 14.80071 8.827540       0.7370301 9.115378       0.8301001 7.755519       1.601985  358.2419 16.41687 327.9907 35.05547 30.25122       38.70916 
1 1 1 3  13 12 o 546.5709 15.04207 21.19275       1.162414  21.09318       1.350364  21.47761       2.284091  545.0366 17.52954 548.2608 29.54703 -3.224182      34.35567 
1 1 1 3  13 14 o 726.0429 16.19336 37.38938       1.663869  38.18724       2.025713  35.73489       2.917073  733.0934 19.54278 707.3176 29.20440 25.77582       35.13997 
1 1 1 3  13 16 f 299.6317 24.44836 6.425642       1.027706  7.965424       1.272600  3.538725       1.742527  333.4172 27.20651 216.8319 56.29583 116.5853       62.52531 
1 1 1 3  13 18 o 868.1615 16.92325 53.42129       2.079237  53.17825       2.448296  54.05009       3.938124  865.9008 19.97910 870.8126 32.00992 -4.911865      37.73327 
1 1 1 3  13 20 o 445.0960 22.46848 14.09102       1.410718  13.13260       1.645709  16.74665       2.739433  429.1158 27.23995 482.7642 40.46854 -53.64838      48.78234 
1 1 1 3  13 22 o 582.6444 22.13341 24.13731       1.821719  23.41337       2.127829  26.12451       3.525376  573.2567 26.29822 602.6304 41.59171 -29.37372      49.20840 
1 1 1 3  13 24 o 429.1683 43.89580 13.39241       2.628549  13.39241       2.628549  0.000000       0.000000  429.1683 43.89580 ?        ?        ?              ?        
1 1 1 3  13 26 f 989.7935 22.44720 69.72227       3.144319  66.08398       3.700118  79.17801       5.965055  961.9586 27.20670 1047.397 40.31763 -85.43860      48.63862 
1 1 1 3  13 28 o 184.6340 71.59618 1.905807       2.671931  3.175166       4.170714  1.022173       3.479801  228.3351 89.19286 186.6360 78.24090 41.69904       118.6466 
1 1 1 3  13 30 o 401.6507 40.93444 11.99767       2.294304  12.65413       2.713346  10.35098       4.297446  409.1243 47.76039 344.5537 87.87010 64.57062       100.0110 
1 1 1 3  13 32 o 349.1684 45.79414 9.345479       2.208407  8.326867       2.650439  11.65850       3.993957  320.4001 60.67367 364.9431 79.57972 -44.54291      100.0711 
1 1 1 3  13 34 o 205.4572 66.76589 3.727481       2.222739  3.140893       2.652379  5.111112       4.073606  192.4706 72.11727 227.6189 88.36468 -35.14838      114.0580 
1 1 1 3  13 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  14 1  o 142.3342 32.12460 1.496176       0.6316874 0.6473978      0.9983511 2.062850       0.8157417 115.1743 43.99601 167.2023 35.56834 -52.02800      56.57522 
1 1 1 3  14 3  o 359.3401 16.79511 9.167131       0.8517362 8.853530       1.599421  9.291268       1.006290  351.5007 32.52131 361.5449 19.74204 -10.04422      38.04449 
1 1 1 3  14 5  o 621.7698 12.94207 27.37645       1.138815  29.42580       2.346448  26.74499       1.302503  643.3852 25.82279 614.4784 14.97795 28.90680       29.85223 
1 1 1 3  14 7  o 521.5630 19.18644 19.31345       1.413774  18.66312       1.977796  19.99297       2.021684  511.7929 27.40654 529.8085 27.05296 -18.01556      38.50949 
1 1 1 3  14 9  o 201.1021 35.77804 2.971174       0.9809237 2.388867       1.308812  3.717470       1.481689  179.5308 49.78043 223.2724 48.29885 -43.74152      69.36044 
1 1 1 3  14 11 o 286.6823 18.41816 5.855739       0.7432986 5.302322       0.8276514 8.163110       1.689973  272.3627 21.65042 335.9725 36.10929 -63.60980      42.10251 
1 1 1 3  14 13 o 363.5653 18.67152 9.407808       0.9574695 8.840710       1.105299  11.11271       1.916459  351.9591 22.30527 392.5945 34.85526 -40.63538      41.38132 
1 1 1 3  14 15 o 997.7877 16.71943 70.61356       2.360910  70.13098       2.840822  71.69106       4.244913  993.8361 20.19805 1002.334 29.95879 -8.497742      36.13157 
1 1 1 3  14 17 o 949.8136 17.59044 63.95626       2.364476  65.98787       2.922316  60.10493       4.023568  964.3452 21.41287 918.4438 31.00001 45.90131       37.67640 
1 1 1 3  14 19 o 311.3528 26.26892 6.932936       1.146695  6.474929       1.328498  8.271248       2.270930  300.0500 31.76776 336.3519 49.15979 -36.30182      58.53098 
1 1 1 3  14 21 o 408.5579 24.46085 11.90074       1.407835  11.38026       1.650880  13.28840       2.695595  398.8043 29.45862 428.1509 45.16735 -29.34665      53.92495 
1 1 1 3  14 23 o 731.4571 21.30531 38.04573       2.203096  39.16201       2.680724  35.72305       3.866881  741.3183 25.59053 704.6932 38.92524 36.62506       46.58379 
1 1 1 3  14 25 o 450.1237 44.53562 14.78164       2.799852  14.78164       2.799852  0.000000       0.000000  450.1237 44.53562 ?        ?        ?              ?        
1 1 1 3  14 27 o 408.4962 36.30281 12.13000       2.076853  14.50705       2.522546  7.128358       3.659116  445.6530 40.43626 297.2008 83.54113 148.4522       92.81277 
1 1 1 3  14 29 o 172.1857 69.23114 1.478227       2.581836  -1.733632      3.126941  8.358259       4.576534  143.4674 66.17898 307.3206 95.33215 -163.8532      116.0512 
1 1 1 3  14 31 o 317.6903 49.45184 7.823632       2.151015  6.870295       2.587954  9.953874       3.868545  288.6188 64.93513 335.8025 82.10165 -47.18369      104.6769 
1 1 1 3  14 33 o 217.2048 66.35008 4.113463       2.227262  3.088661       2.752648  6.056508       3.790288  194.2597 73.32163 248.2439 87.15843 -53.98418      113.8976 
1 1 1 3  14 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  14 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  15 0  o 644.4085 30.02635 29.63900       2.724727  29.63900       2.724727  29.63900       2.724727  644.4085 30.02635 644.4085 30.02635 0.000000       0.000000 
1 1 1 3  15 2  o 371.2577 16.79306 9.786862       0.8800339 9.444911       1.705665  9.910913       1.027333  362.7850 33.60378 373.3842 19.50943 -10.59921      38.85655 
1 1 1 3  15 4  f 198.7577 25.30349 2.850036       0.6956309 1.765670       1.411164  3.198118       0.7995219 160.6198 53.25317 210.3927 27.51057 -49.77286      59.93940 
1 1 1 3  15 6  o 514.5812 9.857589 18.74836       0.7178676 18.47120       2.079782  18.78584       0.7648753 508.7608 29.00599 515.0743 10.49303 -6.313538      30.84560 
1 1 1 3  15 8  o 207.3792 36.17305 3.160060       1.023036  1.996736       1.426098  4.393445       1.468413  167.5662 53.38965 243.7700 44.19136 -76.20384      69.30607 
1 1 1 3  15 10 o 269.3051 30.63001 5.239397       1.146659  5.433854       1.579818  5.022904       1.666927  271.8753 42.44625 260.1234 47.01098 11.75195       63.33811 
1 1 1 3  15 12 o 561.8953 14.66662 22.40177       1.165290  22.28751       1.342666  22.75055       2.345816  560.2034 16.95519 563.9426 29.49521 -3.739136      34.02126 
1 1 1 3  15 14 o 340.6378 20.17164 8.267646       0.9680662 7.666037       1.113855  10.12517       1.957218  327.4502 24.20724 374.2412 37.45739 -46.79099      44.59873 
1 1 1 3  15 16 o 477.9604 18.90065 16.22623       1.275944  18.20342       1.557496  12.19129       2.224958  505.9848 21.80168 411.3958 38.66915 94.58908       44.39162 
1 1 1 3  15 18 o 654.4872 18.62146 30.39131       1.723031  28.89773       2.046000  34.03399       3.195237  637.7703 22.70466 690.7701 32.77861 -52.99988      39.87404 
1 1 1 3  15 20 o 216.0014 42.35824 3.452942       1.248543  3.667080       1.488160  2.943899       2.294458  221.7173 48.75685 205.1318 67.90037 16.58557       83.59241 
1 1 1 3  15 22 o 218.6648 44.78822 3.564307       1.339336  2.081554       1.593474  7.132882       2.472054  172.1822 56.56713 308.0529 58.84903 -135.8707      81.62749 
1 1 1 3  15 24 o 666.7625 33.92077 31.92529       3.190269  31.92529       3.190269  0.000000       0.000000  666.7625 33.92077 ?        ?        ?              ?        
1 1 1 3  15 26 o 129.1011 54.89214 0.1386343      1.752669  0.6108889      2.130082  -0.8513294     3.084025  149.2448 61.77952 154.8606 69.12489 -5.615845      92.70900 
1 1 1 3  15 28 o 482.4720 32.97712 16.93264       2.238132  15.06150       2.615572  22.04894       4.325054  451.3570 41.40844 536.6367 57.86329 -85.27969      71.15350 
1 1 1 3  15 30 o 100.9826 48.97604 -3.232038      2.180154  -0.3432488     2.890649  -7.043158      3.320196  150.2390 67.00153 110.6711 54.97033 39.56790       86.66569 
1 1 1 3  15 32 o 438.0896 41.75574 14.63649       2.557528  17.21476       3.357462  11.07230       3.947547  466.7947 51.68867 346.7175 81.78500 120.0772       96.74970 
1 1 1 3  15 34 o 168.1347 64.93044 2.233198       2.190852  2.130506       2.679981  2.440087       3.803919  170.8258 69.85282 185.0762 79.81965 -14.25040      106.0688 
1 1 1 3  15 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  16 1  o 198.9914 34.78453 2.903928       0.9439374 2.979579       1.625844  2.865461       1.159342  200.2275 55.46914 196.3658 42.91920 3.861679       70.13476 
1 1 1 3  16 3  o 318.7729 26.74391 7.274797       1.195384  8.677050       1.751625  6.052444       1.635409  346.8266 36.22021 288.0031 41.30523 58.82358       54.93655 
1 1 1 3  16 5  o 350.3687 17.86494 8.729688       0.8828984 8.200026       1.671183  8.934758       1.039862  337.0031 35.57684 354.1581 20.83927 -17.15506      41.23089 
1 1 1 3  16 7  o 88.15205 39.44843 -0.4323376     1.011206  -0.2671202E-01 1.424080  -0.8448496     1.436118  114.9002 49.18450 101.0693 45.94957 13.83096       67.30883 
1 1 1 3  16 9  o 133.0813 44.78954 1.199882       0.9976736 2.532246       1.377727  -0.2691057     1.446641  184.1127 51.08307 111.0465 48.54303 73.06622       70.46918 
1 1 1 3  16 11 o 439.8690 22.42054 13.79314       1.391087  11.32566       1.890028  16.70984       2.054884  396.4393 34.01623 482.8895 30.22056 -86.45023      45.50150 
1 1 1 3  16 13 f 146.6413 34.92341 1.598410       0.7143327 1.317962       0.7828888 2.992594       1.745559  134.2366 38.94141 200.5504 58.13792 -66.31389      69.97464 
1 1 1 3  16 15 o 432.8593 18.80540 13.31281       1.149242  12.57496       1.336988  15.40055       2.248968  420.2814 22.56120 463.5171 34.53262 -43.23572      41.24936 
1 1 1 3  16 17 f 674.9703 18.05142 32.31814       1.722764  32.92205       2.071677  30.96434       3.101813  680.8949 21.52624 658.6613 33.38508 22.23364       39.72332 
1 1 1 3  16 19 o 339.6050 27.03487 8.251020       1.288609  8.175261       1.559437  8.414117       2.288068  337.1100 33.11395 338.8235 49.15044 -1.713440      59.26466 
1 1 1 3  16 21 o 573.1618 23.17200 23.39428       1.875704  21.54033       2.274861  27.33137       3.315079  548.8640 29.39391 616.3737 38.19165 -67.50977      48.19341 
1 1 1 3  16 23 f 582.3087 24.77766 24.19280       2.037227  22.53096       2.470810  27.72145       3.600388  560.5334 31.27109 619.0186 41.33534 -58.48523      51.83138 
1 1 1 3  16 25 o 185.2083 70.36864 1.996798       2.545298  1.996798       2.545298  0.000000       0.000000  185.2083 70.36864 ?        ?        ?              ?        
1 1 1 3  16 27 o 481.0865 32.70084 16.80457       2.213159  15.87051       2.644523  18.98793       4.043187  464.2552 40.66049 498.3300 58.43967 -34.07489      71.19319 
1 1 1 3  16 29 o 291.8622 62.55917 6.896269       2.506320  1.939853       3.264955  14.00736       3.910762  188.8054 77.14027 414.0250 69.18381 -225.2196      103.6196 
1 1 1 3  16 31 o 156.6184 61.44468 1.518477       1.986506  1.860449       2.396002  0.7665133      3.552962  170.0638 67.24683 172.9544 75.82803 -2.890640      101.3510 
1 1 1 3  16 33 o 108.5754 51.19872 -1.513708      2.045324  -0.9865823     2.505864  -2.565782      3.540164  126.5343 58.67462 135.5831 64.89858 -9.048798      87.49021 
1 1 1 3  16 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  17 0  o 469.8720 34.31030 15.94359       2.252966  15.94359       2.252966  15.94359       2.252966  469.8720 34.31030 469.8720 34.31030 0.000000       0.000000 
1 1 1 3  17 2  o 424.3553 20.46707 12.81578       1.225526  11.97777       1.962327  13.35164       1.569169  408.0551 34.29787 432.4465 25.75667 -24.39139      42.89230 
1 1 1 3  17 4  o 326.3521 27.12280 7.635459       1.241370  6.960600       1.701140  8.404160       1.815567  309.0925 39.81311 340.4070 38.35402 -31.31448      55.28214 
1 1 1 3  17 6  o 479.8685 11.69243 16.31512       0.7940480 17.75166       2.108459  16.07771       0.8571556 497.8816 30.06407 476.1384 12.73200 21.74323       32.64892 
1 1 1 3  17 8  o 465.5813 22.22446 15.44778       1.460127  16.11492       2.049245  14.75981       2.080985  474.0518 30.71085 453.1953 32.66535 20.85657       44.83504 
1 1 1 3  17 10 o 436.2238 22.75947 13.56987       1.400189  10.92906       1.889199  16.78855       2.085681  389.2265 34.65909 483.9271 30.61114 -94.70059      46.24170 
1 1 1 3  17 12 f 1001.266 14.69323 71.06547       2.082029  71.27924       2.420535  70.45749       4.082111  1002.462 17.06175 994.0030 29.04983 8.459106       33.68970 
1 1 1 3  17 14 o 221.2067 27.15443 3.530130       0.8322657 3.759761       0.9320721 2.626870       1.848593  228.0023 29.58297 191.6838 60.75219 36.31848       67.57204 
1 1 1 3  17 16 f 785.1035 16.76227 43.68470       1.862428  43.19231       2.202379  44.92069       3.489341  780.1553 19.96403 794.0037 31.11305 -13.84845      36.96734 
1 1 1 3  17 18 o 747.6586 18.29307 39.64272       1.935573  38.51042       2.312104  42.29503       3.538677  736.1834 22.21769 769.7388 32.55814 -33.55542      39.41647 
1 1 1 3  17 20 o 144.9697 49.60371 1.403304       1.224130  1.666983       1.493222  0.8629421      2.137611  158.4464 54.76369 155.6750 62.85250 2.771423       83.36366 
1 1 1 3  17 22 o 472.2558 26.40492 15.94731       1.757718  16.60279       2.195873  14.77825       2.932555  480.6324 32.47368 449.5261 46.78038 31.10635       56.94685 
1 1 1 3  17 24 f 434.1807 32.37964 13.59826       1.975258  13.22727       2.442100  14.30014       3.359086  425.7388 41.04024 437.5654 55.49097 -11.82657      69.01847 
1 1 1 3  17 26 f 186.0429 72.20685 2.012953       2.719555  2.012953       2.719555  0.000000       0.000000  186.0429 72.20685 ?        ?        ?              ?        
1 1 1 3  17 28 o 277.5882 52.00148 6.013235       1.967801  5.512824       2.298725  7.385651       3.806859  260.3856 63.05817 288.7626 86.43369 -28.37698      106.9912 
1 1 1 3  17 30 o 233.4397 69.36869 4.678870       2.458960  8.017095       3.353405  0.7963653      3.616465  299.2902 78.29075 175.1417 76.65224 124.1485       109.5674 
1 1 1 3  17 32 o 157.3239 62.05487 1.722930       2.035715  1.822757       2.482371  1.517931       3.557294  165.0798 67.33254 174.2016 76.13667 -9.121750      101.6389 
1 1 1 3  17 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  17 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  18 1  o 487.4336 24.37080 16.95037       1.675812  17.63806       2.333525  16.21799       2.408149  495.4854 33.47484 474.4262 36.13892 21.05923       49.26040 
1 1 1 3  18 3  o 637.2783 21.63262 28.90439       1.948175  29.61175       2.707789  28.14530       2.805056  643.3789 29.82024 626.7597 31.72749 16.61920       43.54171 
1 1 1 3  18 5  o 151.6684 46.95053 1.662472       1.110699  2.176547       1.545372  1.113161       1.597455  174.0351 55.59142 145.8720 55.66970 28.16313       78.67352 
1 1 1 3  18 7  o 134.5879 26.24607 1.334501       0.4819449 0.9246244      1.634523  1.373528       0.5043679 142.3912 55.77361 136.4615 27.07268 5.929626       61.99698 
1 1 1 3  18 9  o 236.8182 36.65341 4.109654       1.188779  4.786449       1.641315  3.362851       1.724114  253.4988 47.49533 211.1460 56.56353 42.35272       73.85959 
1 1 1 3  18 11 o 104.0393 43.98930 0.7010490E-01  1.115003  -1.077552      1.471572  1.617124       1.708532  99.22670 45.63667 161.8512 58.33858 -62.62450      74.06818 
1 1 1 3  18 13 o 231.5418 40.71608 3.942473       1.285499  2.461886       1.724173  5.795651       1.928956  185.6156 58.65244 279.8521 50.56562 -94.23647      77.44024 
1 1 1 3  18 15 o 303.7294 24.50180 6.592613       1.044254  7.473452       1.182876  3.481402       2.223083  323.3122 26.07315 218.1700 66.21638 105.1422       71.16473 
1 1 1 3  18 17 o 387.8225 22.86198 10.71778       1.249211  10.63647       1.477736  10.92140       2.338444  385.7762 27.24230 388.0536 43.31895 -2.277435      51.17299 
1 1 1 3  18 19 o 123.9726 47.26908 0.7844216      1.151044  0.9646383      1.407372  0.4203279      2.000405  136.9229 52.25314 143.3841 59.65590 -6.461151      79.30458 
1 1 1 3  18 21 o 278.1866 37.99855 5.659117       1.456909  7.619488       1.800486  1.941126       2.479561  322.9629 40.26500 184.1024 69.56693 138.8604       80.37928 
1 1 1 3  18 23 o 417.9063 32.03008 12.59701       1.879897  12.71781       2.314616  12.36291       3.222315  417.8465 39.61511 405.5702 57.77286 12.27625       70.05042 
1 1 1 3  18 25 o 143.6611 64.69249 -0.9431834     2.766936  -0.9431834     2.766936  0.000000       0.000000  143.6611 64.69249 ?        ?        ?              ?        
1 1 1 3  18 27 o 326.7791 44.49008 8.085856       2.004104  7.000268       2.443897  10.31476       3.501842  295.8345 60.41817 352.6051 72.59590 -56.77054      94.44851 
1 1 1 3  18 29 o 111.7315 51.23561 -0.9247074     1.836016  -2.464618      2.115021  3.784263       3.698536  104.4906 50.05507 217.1160 84.22304 -112.6254      97.97463 
1 1 1 3  18 31 f 124.7492 57.40111 -0.8608543     2.331749  -1.646406      3.048203  0.2472293      3.620284  134.2229 63.04643 162.7311 73.57278 -28.50824      96.89069 
1 1 1 3  18 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  18 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  19 0  o 712.7714 31.39632 36.34278       3.152983  36.34278       3.152983  36.34278       3.152983  712.7714 31.39632 712.7714 31.39632 -0.000000      0.000000 
1 1 1 3  19 2  o 407.4610 27.74731 11.89630       1.590478  10.23804       2.092309  14.16603       2.447859  375.2182 40.01931 442.1441 39.53716 -66.92593      56.25595 
1 1 1 3  19 4  o 617.9359 21.61946 27.18419       1.887724  27.34789       2.699862  27.02762       2.640420  617.8355 30.97679 614.3222 30.46590 3.513306       43.44805 
1 1 1 3  19 6  f 115.3645 37.77252 0.9191502      0.7107617 1.422857       1.710510  0.8140287      0.7814164 156.4103 58.04996 112.9230 39.57999 43.48730       70.25933 
1 1 1 3  19 8  o 488.4836 10.87881 16.90216       0.7520574 15.88215       2.283864  17.02622       0.7964785 470.0648 34.57338 490.2440 11.48000 -20.17917      36.42951 
1 1 1 3  19 10 f 222.7937 41.73407 3.668275       1.267529  5.578937       1.803222  1.802156       1.782079  274.6747 48.14257 168.2935 59.70353 106.3812       76.69562 
1 1 1 3  19 12 o 536.4107 23.52987 20.46915       1.781881  21.82085       2.505396  19.08555       2.534783  552.6264 32.17416 516.2473 34.89982 36.37909       47.46761 
1 1 1 3  19 14 o 482.5322 16.15832 16.52002       1.101867  16.94740       1.238480  14.89708       2.413420  488.5897 17.94168 455.3511 37.79141 33.23865       41.83413 
1 1 1 3  19 16 o 275.1658 27.78605 5.441763       1.067227  5.039552       1.176459  7.310964       2.536166  263.9726 32.15448 312.5723 59.50631 -48.59973      67.63809 
1 1 1 3  19 18 o 360.2794 24.75037 9.280704       1.254280  9.120380       1.451502  9.753348       2.492228  356.4458 29.02528 363.9275 49.68584 -7.481720      57.54259 
1 1 1 3  19 20 o 350.3203 30.50845 8.837770       1.497463  9.408401       1.833173  7.693371       2.596056  360.2370 36.45938 318.8547 59.72515 41.38232       69.97414 
1 1 1 3  19 22 o 221.4783 51.57737 3.731418       1.586372  4.099115       1.932671  2.972097       2.777318  230.9922 58.93671 208.4940 74.47305 22.49825       94.97247 
1 1 1 3  19 24 o 521.5618 29.99022 19.62967       2.204298  19.38291       2.723214  20.09857       3.753959  515.4278 37.59156 518.0124 51.90554 -2.584595      64.08830 
1 1 1 3  19 26 o 114.6835 55.74648 -4.283968      2.867115  -4.283968      2.867115  0.000000       0.000000  114.6835 55.74648 ?        ?        ?              ?        
1 1 1 3  19 28 o 188.8340 63.66667 2.848756       2.015833  3.630222       2.442261  1.178343       3.570664  208.9911 70.07522 179.6047 77.39581 29.38641       104.4062 
1 1 1 3  19 30 o 164.2430 60.62720 2.063519       1.861250  1.886086       2.216398  2.487967       3.428016  164.5821 64.80173 187.9121 78.13057 -23.32997      101.5069 
1 1 1 3  19 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  19 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  20 1  o 118.3844 49.44430 0.2323923      1.381915  1.122205       1.895231  -0.7777447     2.019311  154.0796 60.14301 124.5925 55.75141 29.48715       82.00854 
1 1 1 3  20 3  o 285.7253 34.96331 5.928793       1.384355  7.351689       1.968662  4.536946       1.947065  316.2033 45.28431 244.6702 57.25270 71.53311       72.99686 
1 1 1 3  20 5  o 95.28519 43.36822 -0.7744397     1.283756  1.488584       1.875466  -2.769543      1.760951  162.1479 60.66559 92.06525 44.49839 70.08266       75.23576 
1 1 1 3  20 7  o 84.81007 35.53266 0.8417092E-01  0.7170474 -3.116601      1.718709  0.7586918      0.7889923 87.44473 42.65217 111.1955 39.69656 -23.75079      58.26684 
1 1 1 3  20 9  f 227.7649 43.16082 3.835914       1.340312  4.487672       1.884737  3.169070       1.906425  244.5729 55.70310 207.1510 60.95774 37.42189       82.57531 
1 1 1 3  20 11 o 155.8776 50.82129 1.687708       1.287307  -0.2427380     1.674620  4.476307       2.012707  120.9998 52.57037 244.1500 58.92881 -123.1502      78.96992 
1 1 1 3  20 13 o 451.0444 25.58271 14.50135       1.626302  15.75092       2.277738  13.20184       2.322801  468.7760 34.57689 428.1996 38.74964 40.57645       51.93357 
1 1 1 3  20 15 o 359.5316 19.98223 9.203413       1.012719  9.227780       1.128505  9.102614       2.295263  359.7404 22.27565 352.6390 47.17426 7.101349       52.16911 
1 1 1 3  20 17 o 264.9329 29.95454 5.072724       1.103424  3.776654       1.202585  11.97368       2.774958  226.2629 38.96191 403.6653 49.61789 -177.4024      63.08697 
1 1 1 3  20 19 o 152.3769 49.47261 1.644190       1.220570  2.337099       1.438083  -0.1408798     2.308200  177.6080 53.11510 142.9738 61.92009 34.63420       81.58010 
1 1 1 3  20 21 o 211.0840 51.25991 3.392084       1.515796  2.255323       1.864219  5.609900       2.603905  179.4339 61.21820 268.0149 68.42442 -88.58102      91.81269 
1 1 1 3  20 23 o 392.2279 45.16930 11.42990       2.461544  15.21969       3.557337  7.948244       3.409655  447.2003 57.54063 312.4337 77.49277 134.7666       96.51971 
1 1 1 3  20 25 o 170.0961 60.70735 2.061902       1.845100  0.6875708      2.259271  4.814261       3.197240  150.1838 63.00704 240.2111 80.17199 -90.02731      101.9678 
1 1 1 3  20 27 o 112.5784 51.48079 -0.8687196     1.836544  -1.170771      2.183847  -0.1390830     3.394181  120.0195 55.34245 161.3692 72.23890 -41.34963      91.00135 
1 1 1 3  20 29 o 136.3692 57.39371 0.7039080      1.883989  -1.306262      2.254624  5.355344       3.429662  118.4225 55.16479 235.7058 82.89633 -117.2833      99.57388 
1 1 1 3  20 31 o 136.0555 60.76128 0.2407588      2.386028  1.749490       3.413352  -1.200937      3.336660  169.6953 74.36333 139.4310 65.63909 30.26433       99.18869 
1 1 1 3  20 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  21 0  o 808.3929 32.75441 46.67297       3.733234  46.67297       3.733234  46.67297       3.733234  808.3929 32.75441 808.3929 32.75441 0.000000       0.000000 
1 1 1 3  21 2  f 128.7257 51.57440 0.6023343      1.427511  0.3232310      1.996487  0.8942764      2.041890  141.7715 59.33685 153.8904 61.67357 -12.11891      85.58324 
1 1 1 3  21 4  o 530.5529 24.61039 20.05242       1.842817  20.48850       2.651486  19.64495       2.563037  534.4418 35.25343 523.3680 34.80183 11.07379       49.53758 
1 1 1 3  21 6  o 164.0405 37.61934 1.998871       0.8546954 2.798025       1.975977  1.814943       0.9479624 197.5168 62.83548 156.5108 41.94847 41.00594       75.55112 
1 1 1 3  21 8  o 786.2297 14.97639 43.80475       1.666389  42.92065       3.458332  44.07209       1.901718  775.6844 31.56968 788.4559 17.04311 -12.77148      35.87635 
1 1 1 3  21 10 o 448.1122 26.57079 14.32176       1.677478  15.18881       2.339213  13.40384       2.406857  460.0144 36.22385 431.2861 39.88517 28.72824       53.87944 
1 1 1 3  21 12 o 247.9027 41.25168 4.513548       1.396410  6.025513       1.933912  2.866520       2.018443  285.4604 49.67405 199.8195 63.50000 85.64096       80.62109 
1 1 1 3  21 14 o 233.9762 25.18077 3.938954       0.8206871 3.862543       0.8852853 4.405954       2.188592  231.2816 27.59067 241.0680 63.33961 -9.786377      69.08800 
1 1 1 3  21 16 o 153.8520 42.98796 1.756648       0.9719605 1.933949       1.081476  1.011829       2.216597  161.3480 45.43961 160.1310 64.22934 1.216949       78.67760 
1 1 1 3  21 18 o 140.8336 49.09249 1.305286       1.201172  1.406846       1.328371  0.8498683      2.812948  146.7805 51.59299 171.6705 71.02245 -24.88997      87.78397 
1 1 1 3  21 20 o 543.4340 23.72909 21.10518       1.820537  22.27707       2.185500  18.44863       3.290550  557.3354 27.79631 500.7390 46.98292 56.59634       54.58965 
1 1 1 3  21 22 o 207.2855 55.72231 3.331508       1.669663  3.449268       1.985969  3.047595       3.083663  210.6756 62.27468 210.5023 77.97627 0.1732788      99.79196 
1 1 1 3  21 24 o 208.9995 58.52048 3.489119       1.799205  1.329370       2.125762  8.943800       3.378297  158.6896 63.15057 326.3544 74.75549 -167.6648      97.85896 
1 1 1 3  21 26 o 112.9640 55.32716 -4.792437      2.980816  -4.792437      2.980816  0.000000       0.000000  112.9640 55.32716 ?        ?        ?              ?        
1 1 1 3  21 28 o 181.3789 60.79763 2.724912       1.838400  2.989711       2.196254  2.105066       3.360209  188.8484 66.34273 182.8558 76.78507 5.992615       101.4756 
1 1 1 3  21 30 o 118.8971 53.50078 -0.1663170     1.888375  -0.5920642     2.283947  0.7535489      3.357163  123.5289 56.82873 157.8288 71.14921 -34.29987      91.05885 
1 1 1 3  21 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  22 1  o 289.2137 37.89610 6.076741       1.513798  6.421234       2.046825  5.660791       2.249111  294.5968 50.93679 274.4002 59.62472 20.19666       78.41979 
1 1 1 3  22 3  o 110.8580 50.62104 -1.131202      1.767375  -1.131202      1.767375  0.000000       0.000000  110.8580 50.62104 ?        ?        ?              ?        
1 1 1 3  22 5  o 183.8293 52.86861 2.491820       1.448828  2.722249       2.115930  2.288420       1.987959  197.3929 65.19998 184.5967 63.21124 12.79620       90.81133 
1 1 1 3  22 7  o 548.3629 16.99856 21.33792       1.317575  19.66450       2.661536  21.88114       1.516426  523.7443 36.12956 555.0784 19.33351 -31.33411      40.97718 
1 1 1 3  22 9  o 321.0607 19.52895 7.339639       0.8831348 5.384203       2.188010  7.720203       0.9652541 267.6472 59.32447 329.1723 20.82721 -61.52515      62.87421 
1 1 1 3  22 11 o 368.1810 32.07690 9.740776       1.654705  9.995769       2.278063  9.455981       2.407512  370.4939 44.32613 359.1774 48.60959 11.31647       65.78524 
1 1 1 3  22 13 o 218.1020 51.97618 3.586370       1.581435  3.200261       2.073867  4.122838       2.444542  208.1264 64.10822 233.8163 69.08533 -25.68991      94.24780 
1 1 1 3  22 15 o 348.3968 21.37565 8.664669       1.048860  8.821143       1.153434  7.917222       2.520931  351.2485 23.33610 324.3983 56.99003 26.85022       61.58276 
1 1 1 3  22 17 o 184.5007 43.35054 2.561280       1.112594  3.511442       1.261117  -0.7749097     2.363098  216.7451 42.63331 135.5036 60.49487 81.24147       74.00830 
1 1 1 3  22 19 o 104.2323 45.85986 -0.2917171     1.310038  -0.2887420     1.452760  -0.3046658     3.030798  110.1857 48.39256 159.6790 70.02042 -49.49336      85.11580 
1 1 1 3  22 21 o 336.7577 36.50650 8.325526       1.712038  9.995501       2.065316  4.657500       3.060891  367.9453 40.32248 241.8431 78.33066 126.1022       88.09991 
1 1 1 3  22 23 o 435.5985 31.20877 13.85865       1.911153  13.80060       2.272001  13.99910       3.534188  431.7029 37.56165 420.1951 61.23111 11.50775       71.83401 
1 1 1 3  22 25 o 232.8448 55.30197 4.400685       1.795096  4.049687       2.175882  5.148685       3.176389  219.4994 65.26055 240.5839 79.90002 -21.08447      103.1647 
1 1 1 3  22 27 o 122.9286 58.80520 -2.695715      2.896935  -2.695715      2.896935  0.000000       0.000000  122.9286 58.80520 ?        ?        ?              ?        
1 1 1 3  22 29 o 108.7664 50.11397 -0.6946167     1.785689  0.8265234E-01  2.117741  -2.606804      3.321638  127.9698 57.19037 128.3773 61.81559 -0.4075317     84.21345 
1 1 1 3  22 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  22 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  23 0  o 107.3748 67.09006 0.5101184      2.088072  0.5101184      2.088072  0.5101184      2.088072  107.3748 67.09006 107.3748 67.09006 0.000000       0.000000 
1 1 1 3  23 2  o 229.1768 48.69474 3.914092       1.530566  3.554483       2.103531  4.318676       2.231200  218.9099 63.92599 239.6289 64.41353 -20.71898      90.75040 
1 1 1 3  23 4  o 289.9691 56.93636 6.279634       2.253047  6.279634       2.253047  0.000000       0.000000  289.9691 56.93636 ?        ?        ?              ?        
1 1 1 3  23 6  o 116.6148 43.27249 0.7565985      0.9504061 2.790709       2.193135  0.2862742      1.054573  199.9154 66.39146 106.7969 43.76149 93.11847       79.51663 
1 1 1 3  23 8  f 407.9440 19.79195 11.83931       1.139229  14.23556       2.512029  11.21886       1.278235  443.9455 40.42595 396.7217 22.86381 47.22382       46.44363 
1 1 1 3  23 10 o 283.3228 20.48132 5.730897       0.8156761 4.433848       2.176159  5.942910       0.8798183 241.6103 63.00293 288.3869 21.71702 -46.77660      66.64082 
1 1 1 3  23 12 o 264.3024 43.89644 5.170163       1.584340  4.522245       2.088490  6.048490       2.431646  243.4137 60.80805 281.4036 62.66785 -37.98994      87.32055 
1 1 1 3  23 14 o 146.5964 55.36683 1.187469       1.570160  2.684408       2.112299  -0.6611294     2.347333  194.3092 65.16996 136.6970 60.70477 57.61226       89.06286 
1 1 1 3  23 16 f 96.03039 41.30532 -0.5109716E-01 1.013415  0.1200773      1.113765  -0.8746483     2.442977  104.5648 44.07525 136.4816 61.17768 -31.91681      75.40117 
1 1 1 3  23 18 o 141.0354 50.01994 1.298639       1.250799  1.096295       1.404709  2.073190       2.748312  139.0296 52.39954 189.1571 72.80917 -50.12743      89.70444 
1 1 1 3  23 20 o 423.0436 29.25362 12.95050       1.740611  12.20434       1.996837  15.31120       3.551776  408.7190 34.85441 446.9550 57.48081 -38.23599      67.22256 
1 1 1 3  23 22 o 130.4519 53.73681 0.6046919      1.600990  0.6548738      1.867541  0.4655691      3.109535  138.9371 57.70937 165.2105 71.70825 -26.27341      92.04588 
1 1 1 3  23 24 o 125.1648 53.64526 0.2575153      1.697991  -0.2803008     2.003102  1.630662       3.200697  125.6482 55.92120 178.8689 75.01466 -53.22063      93.56485 
1 1 1 3  23 26 o 109.8677 53.34137 -3.401077      2.604050  -3.401077      2.604050  0.000000       0.000000  109.8677 53.34137 ?        ?        ?              ?        
1 1 1 3  23 28 o 128.5016 59.11348 -0.5060195     2.470863  -4.062117      3.661123  2.468576       3.348432  125.6837 61.50645 177.2651 75.63753 -51.58144      97.48886 
1 1 1 3  23 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  23 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  24 1  o 223.6191 52.67997 3.754556       1.639537  3.058615       2.332262  4.434492       2.305285  207.8528 68.44282 242.2759 65.62522 -34.42310      94.82135 
1 1 1 3  24 3  o 332.4938 36.71837 7.999072       1.699027  6.754466       2.315872  9.449786       2.500284  300.5995 56.51256 358.4863 50.69604 -57.88687      75.91942 
1 1 1 3  24 5  o 144.0276 54.54275 1.103601       1.526146  3.371171       2.266826  -0.7763299     2.063996  214.5102 67.17944 126.4980 56.50136 88.01220       87.78087 
1 1 1 3  24 7  o 222.3882 35.71509 3.626615       1.086000  0.6463090      2.377156  4.412700       1.220849  158.2495 65.36253 245.7086 36.19215 -87.45909      74.71367 
1 1 1 3  24 9  o 288.0565 25.59892 5.957648       1.032707  8.085790       2.501387  5.520379       1.133849  328.5692 55.78700 276.5337 29.42386 52.03546       63.07102 
1 1 1 3  24 11 o 336.0795 18.27295 8.047218       0.8658324 9.640038       2.319050  7.789224       0.9333229 361.8310 46.35129 330.3991 20.05503 31.43188       50.50392 
1 1 1 3  24 13 o 106.8093 48.33743 -0.7942732     1.567274  1.131253       2.066373  -3.402284      2.404854  157.8472 62.43935 109.5728 52.71930 48.27445       81.71901 
1 1 1 3  24 15 o 132.6484 54.82058 0.4632832      1.673527  0.5241082      2.223000  0.3837180      2.542495  150.2007 62.72034 156.5945 66.32824 -6.393845      91.28678 
1 1 1 3  24 17 f 83.67183 39.14203 -1.085292      1.154762  -1.132933      1.276188  -0.8700739     2.712455  88.75611 41.39791 143.3535 64.34462 -54.59740      76.51155 
1 1 1 3  24 19 o 114.9662 48.72633 0.1721576      1.373554  0.1053499      1.568244  0.3922282      2.846304  120.6215 51.62335 161.2172 69.28206 -40.59571      86.40008 
1 1 1 3  24 21 o 198.2176 53.44613 3.131655       1.533227  2.824365       1.772754  4.043891       3.054414  188.6537 59.45476 221.6913 78.20782 -33.03758      98.24119 
1 1 1 3  24 23 o 127.2636 53.01095 0.5591567      1.582257  0.9940149      1.846602  -0.6419452     3.068948  142.8361 58.14337 147.8393 67.19641 -5.003174      88.85949 
1 1 1 3  24 25 o 113.4341 50.85047 -0.3146387     1.688155  -0.4216200E-02 1.998958  -1.086617      3.152315  127.2044 56.27831 141.8676 65.79317 -14.66322      86.57938 
1 1 1 3  24 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  24 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  24 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  25 0  o 64.20615 46.44773 -4.268827      2.221018  -4.268827      2.221018  -4.268827      2.221018  64.20615 46.44773 64.20615 46.44773 0.000000       0.000000 
1 1 1 3  25 2  o 152.3576 57.62257 1.265856       1.702069  0.9593390      2.438015  1.557299       2.377311  165.0192 66.94315 174.7001 67.59101 -9.680847      95.13113 
1 1 1 3  25 4  f 220.1449 70.52747 3.567384       2.485948  3.567384       2.485948  0.000000       0.000000  220.1449 70.52747 ?        ?        ?              ?        
1 1 1 3  25 6  o 230.2967 37.73093 3.907012       1.187170  1.680740       2.449630  4.590398       1.357203  178.1923 68.69959 249.5803 39.75769 -71.38806      79.37447 
1 1 1 3  25 8  o 147.2443 45.89753 1.567678       1.059393  2.265998       2.330316  1.385755       1.189408  187.6595 68.06500 143.1610 48.89745 44.49854       83.80815 
1 1 1 3  25 10 o 162.2548 41.51237 1.976150       0.9570063 -1.381763      2.335840  2.653505       1.049098  127.0110 58.07228 188.1868 40.58657 -61.17576      70.84956 
1 1 1 3  25 12 o 114.8106 38.02597 0.9090524      0.7195778 1.761070       2.279501  0.8147521      0.7583540 175.1422 66.58163 111.9213 39.00795 63.22097       77.16692 
1 1 1 3  25 14 o 203.5421 59.40439 3.170917       1.816938  4.493075       2.433567  1.505594       2.731184  239.5649 68.39912 178.7413 71.43095 60.82355       98.89803 
1 1 1 3  25 16 o 116.6292 44.73512 0.7099684      1.034996  0.6121421      1.107948  1.380287       2.900228  116.2919 45.80786 178.5492 72.79702 -62.25726      86.01027 
1 1 1 3  25 18 o 85.82595 40.37997 -1.245459      1.259455  -1.107894      1.398256  -1.836981      2.899475  93.83950 43.62180 135.8048 63.02214 -41.96534      76.64627 
1 1 1 3  25 20 o 205.3071 51.03122 3.357421       1.476309  3.384444       1.699713  3.274414       2.978962  204.4592 56.74332 205.1263 76.51529 -0.6671295     95.25961 
1 1 1 3  25 22 o 124.0176 51.50915 0.5522449      1.487675  2.132733       1.723900  -4.058405      2.944406  166.5838 58.75574 115.5756 56.25106 51.00816       81.34138 
1 1 1 3  25 24 o 250.5183 61.26385 5.449159       2.153671  7.116927       3.206228  4.077987       2.907184  270.6668 78.88912 210.1361 76.05138 60.53072       109.5779 
1 1 1 3  25 26 o 212.4894 67.84251 4.408200       2.301768  3.553120       3.298743  5.219567       3.213320  190.3067 77.61990 218.5285 79.82716 -28.22174      111.3428 
1 1 1 3  25 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  25 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  26 1  f 88.51186 43.10961 -3.033630      1.737846  -1.449396      2.422623  -4.713012      2.494314  129.2157 59.10334 103.0327 50.49378 26.18304       77.73562 
1 1 1 3  26 3  f 121.1284 55.72697 -1.492812      2.196600  -1.492812      2.196600  0.000000       0.000000  121.1284 55.72697 ?        ?        ?              ?        
1 1 1 3  26 5  o 238.5110 71.85847 4.366634       2.624877  4.366634       2.624877  0.000000       0.000000  238.5110 71.85847 ?        ?        ?              ?        
1 1 1 3  26 7  o 209.6505 44.13379 3.304895       1.267959  5.030618       2.704823  2.818856       1.435453  254.0337 71.97176 192.7864 51.59675 61.24734       88.55596 
1 1 1 3  26 9  o 126.1947 47.83855 0.8600335      1.174742  3.324441       2.830647  0.3472696      1.291184  215.8887 75.35550 116.9098 48.21842 98.97894       89.46210 
1 1 1 3  26 11 o 141.5426 43.04125 1.470883       0.9386702 -0.8415039     2.374186  1.899309       1.021933  134.1541 60.20846 158.9396 43.95595 -24.78549      74.54652 
1 1 1 3  26 13 f 248.4467 54.80851 4.764860       1.875290  5.883367       2.483158  3.280174       2.860897  273.0584 65.16710 213.1200 75.64232 59.93840       99.84244 
1 1 1 3  26 15 o 99.50816 47.39338 -2.159460      1.838827  -3.239010      2.430927  -0.7155925     2.811345  110.2289 53.02712 146.4696 65.64351 -36.24072      84.38570 
1 1 1 3  26 17 f 132.0891 48.57287 1.112928       1.192789  1.085454       1.317726  1.237553       2.806481  134.3291 50.72405 170.3970 70.75779 -36.06790      87.06086 
1 1 1 3  26 19 o 111.7985 47.02688 0.2916593      1.263765  1.748651       1.428200  -4.965217      2.712840  153.8253 53.53681 104.4873 51.49291 49.33798       74.28129 
1 1 1 3  26 21 o 109.1361 47.47594 0.2423490E-01  1.369383  -0.1838317     1.580043  0.6521966      2.744949  112.7208 49.94446 154.8517 67.29138 -42.13086      83.80083 
1 1 1 3  26 23 o 108.0831 50.87119 -1.457098      2.002323  0.3983029      2.985265  -2.974453      2.699651  152.2826 67.98923 114.2635 55.19549 38.01916       87.57327 
1 1 1 3  26 25 o 130.7756 57.81202 0.4216597      2.105315  2.963387       3.151857  -1.625984      2.828976  179.5560 74.80793 123.9060 58.94865 55.65002       95.24269 
1 1 1 3  26 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  26 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  27 0  o 82.11652 57.98944 -3.143834      2.716892  -3.143834      2.716892  -3.143834      2.716892  82.11652 57.98944 82.11652 57.98944 0.000000       0.000000 
1 1 1 3  27 2  o 176.4153 71.33700 1.287446       2.758457  1.287446       2.758457  0.000000       0.000000  176.4153 71.33700 ?        ?        ?              ?        
1 1 1 3  27 4  o 168.7878 69.94268 0.8601468      2.734147  0.8601468      2.734147  0.000000       0.000000  168.7878 69.94268 ?        ?        ?              ?        
1 1 1 3  27 6  o 170.7591 55.74382 2.109809       1.548517  -0.8443179     2.836849  3.363606       1.848142  147.8517 66.12549 209.4132 59.54679 -61.56157      88.98539 
1 1 1 3  27 8  o 84.04542 39.74939 -1.396221      1.249848  -3.288053      2.676926  -0.8688531     1.413357  118.5819 56.67214 98.83105 45.18195 19.75087       72.47855 
1 1 1 3  27 10 o 105.0719 45.02914 0.7742233E-02  1.196142  -3.467757      2.782660  0.7954871      1.324782  120.0273 57.47544 128.5108 50.24843 -8.483475      76.34351 
1 1 1 3  27 12 o 180.7103 40.78845 2.479721       1.018308  2.913065       2.644004  2.404248       1.103428  201.7242 72.59069 177.3734 44.13591 24.35074       84.95521 
1 1 1 3  27 14 o 165.8821 62.05128 1.787901       1.961937  0.5647392      2.633493  3.313518       2.941121  157.7657 67.19025 210.2502 76.43667 -52.48450      101.7698 
1 1 1 3  27 16 o 152.5395 60.75094 1.259911       1.968793  -0.3668363     2.670587  3.196559       2.913882  143.7561 64.23570 203.7554 75.73874 -59.99921      99.31053 
1 1 1 3  27 18 o 70.68787 34.41105 -1.825468      1.103420  -1.276055      1.219858  -4.298230      2.587922  82.62572 39.13472 104.5775 51.28824 -21.95181      64.51364 
1 1 1 3  27 20 o 119.3757 53.59400 -0.3388054     1.882943  -1.514343      2.698117  0.7772729      2.628996  128.0062 59.86534 153.1746 66.21037 -25.16841      89.26183 
1 1 1 3  27 22 o 123.7355 55.37580 -0.1041953     1.992952  -0.8259749     2.897025  0.5442720      2.745959  136.2679 63.15346 148.5179 65.82162 -12.24992      91.21867 
1 1 1 3  27 24 o 195.5807 64.96208 3.746114       2.099697  0.6465592      3.083095  6.427253       2.867457  148.3447 67.39669 244.3422 75.40374 -95.99748      101.1338 
1 1 1 3  27 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  27 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  28 1  o 166.9294 71.15193 0.4411228      2.957505  0.4411228      2.957505  0.000000       0.000000  166.9294 71.15193 ?        ?        ?              ?        
1 1 1 3  28 3  o 120.6378 55.03492 -1.133300      2.082679  -4.332435      2.710298  3.479619       3.254533  111.5938 54.23451 221.6128 80.42963 -110.0190      97.00674 
1 1 1 3  28 5  o 170.4531 71.51677 0.7945805      2.911139  0.7945805      2.911139  0.000000       0.000000  170.4531 71.51677 ?        ?        ?              ?        
1 1 1 3  28 7  o 105.8969 46.57177 -0.2655805     1.349658  0.4816758      2.823963  -0.4867964     1.536499  163.3788 69.57912 109.5610 48.85539 53.81779       85.01825 
1 1 1 3  28 9  o 98.67463 44.68659 -0.6501226     1.342207  -2.597245      2.866575  -0.1033756     1.519007  128.9433 60.74449 115.1969 50.05857 13.74644       78.71311 
1 1 1 3  28 11 f 94.50778 42.55532 -0.5002784     1.197066  4.704630       2.886910  -1.581014      1.315487  239.3690 75.92697 84.16696 40.08647 155.2021       85.85936 
1 1 1 3  28 13 o 101.9646 42.42000 0.2568848      1.011364  0.1299535      2.882174  0.2747089      1.080042  155.6946 68.27735 105.1831 43.80407 50.51151       81.12086 
1 1 1 3  28 15 o 174.4152 63.87103 2.263900       2.059051  6.003319       2.842643  -1.863746      2.986561  261.1568 73.71168 134.5185 62.93475 126.6383       96.92366 
1 1 1 3  28 17 o 144.9908 59.93610 0.9860307      2.001093  1.548025       2.880109  0.4615337      2.782366  170.0610 71.22890 153.1790 67.13197 16.88205       97.87879 
1 1 1 3  28 19 o 100.3055 48.07595 -2.134900      1.956851  0.4900863      2.919216  -4.276968      2.637056  153.2803 67.90273 104.3123 51.28157 48.96802       85.09160 
1 1 1 3  28 21 o 127.0018 56.15837 0.2025250      1.987849  0.1178879      2.894608  0.2780685      2.734690  144.4082 65.48788 143.4089 64.46907 0.9992981      91.89626 
1 1 1 3  28 23 o 110.6299 51.61451 -0.7953328     1.986010  -0.5769157     2.996579  -0.9664243     2.652140  133.6648 62.69732 123.9523 58.40404 9.712524       85.68539 
1 1 1 3  28 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  28 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  29 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  29 2  o 112.5516 53.48133 -2.548371      2.314344  -4.911570      3.150609  0.2212871      3.410809  119.7178 58.24908 172.3550 74.95277 -52.63718      94.92562 
1 1 1 3  29 4  o 207.7085 79.16502 2.896336       3.227713  2.896336       3.227713  0.000000       0.000000  207.7085 79.16502 ?        ?        ?              ?        
1 1 1 3  29 6  o 193.3253 59.37030 2.903769       1.780297  2.951166       3.095743  2.880348       2.176142  206.1438 77.76805 195.1263 66.14839 11.01750       102.0954 
1 1 1 3  29 8  o 134.1540 52.91181 0.8968751      1.479932  2.852441       3.135759  0.3364675      1.678644  203.2887 77.89384 128.0737 54.05395 75.21501       94.81181 
1 1 1 3  29 10 o 123.5824 50.12566 0.6221878      1.366676  0.9625249      3.029235  0.5352088      1.531389  169.7780 72.17539 126.7184 52.41210 43.05955       89.19818 
1 1 1 3  29 12 o 91.05919 41.44684 -0.5807499     1.172709  -4.851860      2.809331  0.3205451      1.290524  107.8598 53.00657 113.3978 47.59991 -5.538055      71.24218 
1 1 1 3  29 14 o 122.0800 43.16155 1.039334       0.9306991 -0.2021371     2.730233  1.202566       0.9899953 144.2169 64.65749 129.0020 44.59078 15.21490       78.54253 
1 1 1 3  29 16 o 121.4130 54.52298 -0.3201284     1.950202  0.4923983E-01  2.755179  -0.6910143     2.760833  145.8208 65.19555 137.5330 62.97779 8.287750       90.64581 
1 1 1 3  29 18 o 88.64362 43.55638 -3.230466      1.894604  -0.6997436     2.726460  -5.593613      2.634646  134.4175 61.92938 96.20497 47.97660 38.21254       78.33903 
1 1 1 3  29 20 o 117.7281 53.59302 -0.3151391     1.961617  -1.351208      3.017471  0.4431993      2.581549  130.4757 61.72464 140.5416 62.95145 -10.06590      88.16358 
1 1 1 3  29 22 o 123.1942 58.85589 -1.420322      2.881849  -1.420322      2.881849  0.000000       0.000000  123.1942 58.85589 ?        ?        ?              ?        
1 1 1 3  29 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  29 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  30 1  o 143.6053 68.41027 -3.649594      3.835459  0.000000       0.000000  -3.649594      3.835459  ?        ?        143.6053 68.41027 ?              ?        
1 1 1 3  30 3  f 217.3860 69.41439 3.841211       2.409607  2.151807       3.048522  6.654011       3.933616  189.1842 75.51273 273.7564 88.80845 -84.57217      116.5723 
1 1 1 3  30 5  o 126.1697 54.63302 0.6762809E-01  1.796260  2.141841       3.142518  -0.9389418     2.189138  189.3212 76.28870 123.9448 56.49756 65.37640       94.93124 
1 1 1 3  30 7  o 139.4765 57.69325 0.7479460      1.855737  2.539333       3.131140  -0.2219970     2.303991  193.7293 76.78856 135.8223 60.23857 57.90701       97.59697 
1 1 1 3  30 9  o 155.2148 54.06266 1.794778       1.456544  1.685634       3.001314  1.828402       1.665866  176.4363 73.21107 158.8202 57.55675 17.61613       93.12701 
1 1 1 3  30 11 o 140.5010 50.85610 1.399280       1.300058  6.173369       2.927583  0.2265711      1.450972  260.2859 75.24311 115.9748 49.64565 144.3111       90.14553 
1 1 1 3  30 13 o 98.44440 42.73999 0.9928625E-02  1.105240  -4.034460      2.722194  0.8082179      1.209408  108.7067 53.16398 121.1860 47.82115 -12.47931      71.50714 
1 1 1 3  30 15 o 134.8102 43.52002 1.415068       0.9453291 0.7931709      2.623414  1.507869       1.013410  150.9076 65.67880 138.7619 45.08122 12.14572       79.66192 
1 1 1 3  30 17 o 155.4903 60.26394 1.860928       1.892305  0.6124342      2.549434  3.392597       2.823795  144.2244 63.69402 190.4836 73.67397 -46.25920      97.38985 
1 1 1 3  30 19 o 118.0783 53.52194 -0.1138168     1.930647  0.6605087      3.016357  -0.6511867     2.512799  146.8083 66.68472 124.7571 58.15637 22.05117       88.48172 
1 1 1 3  30 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  30 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  30 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  31 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  31 2  o 126.8087 62.03515 -5.391338      3.714567  0.000000       0.000000  -5.391338      3.714567  ?        ?        126.8087 62.03515 ?              ?        
1 1 1 3  31 4  o 218.3550 79.66451 4.130260       3.198774  4.130260       3.198774  0.000000       0.000000  218.3550 79.66451 ?        ?        ?              ?        
1 1 1 3  31 6  o 153.2261 59.84577 1.501045       1.877461  0.2324057      3.106500  2.231072       2.356525  157.1059 69.79756 175.2070 67.42513 -18.10110      97.04559 
1 1 1 3  31 8  o 83.39972 41.00495 -3.089015      1.687487  -2.891409      2.865520  -3.193927      2.087930  120.8850 58.00217 96.36063 47.00316 24.52438       74.65620 
1 1 1 3  31 10 o 91.63577 42.78091 -1.018478      1.368027  1.386842       3.098287  -1.600986      1.524706  168.3800 72.32086 90.67673 43.17838 77.70325       84.22992 
1 1 1 3  31 12 o 89.48291 41.19497 -0.6672959     1.203112  -3.368475      2.615717  0.5749749E-01  1.354944  109.1728 53.10846 107.9136 47.08020 1.259232       70.97221 
1 1 1 3  31 14 o 71.84650 34.50721 -1.291895      1.019950  -5.659106      2.489233  -0.4107442     1.118121  91.42717 45.75140 89.62048 40.66566 1.806694       61.21181 
1 1 1 3  31 16 o 136.4841 58.21599 0.9369267      1.982340  3.733041       2.847763  -1.691686      2.761148  191.8714 74.04610 121.9313 58.07366 69.94006       94.10300 
1 1 1 3  31 18 f 128.6302 60.28659 -0.4644524     2.760972  -0.4644524     2.760972  0.000000       0.000000  128.6302 60.28659 ?        ?        ?              ?        
1 1 1 3  31 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  31 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  31 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  32 1  o 152.7674 71.03852 -1.103721      3.713071  0.000000       0.000000  -1.103721      3.713071  ?        ?        152.7674 71.03852 ?              ?        
1 1 1 3  32 3  o 133.0355 64.54894 -4.066621      3.797568  0.000000       0.000000  -4.066621      3.797568  ?        ?        133.0355 64.54894 ?              ?        
1 1 1 3  32 5  f 228.3777 61.99928 4.561100       2.054848  1.369829       3.134626  6.965825       2.721050  168.0262 72.46217 277.1874 69.50146 -109.1612      100.4053 
1 1 1 3  32 7  o 182.5252 59.76726 2.849761       1.779486  -0.5709403     2.816142  5.123418       2.295934  138.4990 63.48934 238.2226 65.88596 -99.72360      91.49785 
1 1 1 3  32 9  o 81.94675 40.06993 -2.499685      1.544443  0.7090491      2.686861  -4.083039      1.887415  149.7165 65.78112 82.55243 41.07726 67.16411       77.55318 
1 1 1 3  32 11 o 101.8229 45.10643 -0.9188236E-01 1.288101  -0.3326199     2.847557  -0.2994878E-01 1.444321  138.7751 63.69987 108.2225 47.86106 30.55255       79.67657 
1 1 1 3  32 13 o 99.67248 47.81225 -1.887210      1.944412  0.4736384      2.478648  -5.664574      3.135272  138.7890 61.95931 105.6460 52.62909 33.14301       81.29438 
1 1 1 3  32 15 o 120.5522 54.24573 0.1347093      1.941348  -1.379933      2.548937  2.227053       2.995854  117.3318 55.85889 162.7151 70.50631 -45.38329      89.95196 
1 1 1 3  32 17 o 100.9380 49.88034 -3.545206      2.606677  -3.545206      2.606677  0.000000       0.000000  100.9380 49.88034 ?        ?        ?              ?        
1 1 1 3  32 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  32 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  33 0  o 177.6994 99.51125 4.450687       3.758355  4.450687       3.758355  4.450687       3.758355  177.6994 99.51125 177.6994 99.51125 0.000000       0.000000 
1 1 1 3  33 2  o 185.1071 79.83199 2.558125       3.805004  0.000000       0.000000  2.558125       3.805004  ?        ?        185.1071 79.83199 ?              ?        
1 1 1 3  33 4  o 163.9620 75.18342 0.4456075      3.952918  0.000000       0.000000  0.4456075      3.952918  ?        ?        163.9620 75.18342 ?              ?        
1 1 1 3  33 6  o 126.0648 55.72874 0.1989509      1.956253  -2.995217      3.050002  2.431376       2.549822  120.3866 58.27770 172.0928 68.93573 -51.70613      90.26862 
1 1 1 3  33 8  o 96.95578 45.98506 -1.414343      1.695473  -1.651336      2.831778  -1.281912      2.116827  124.8080 59.26295 111.0452 52.27782 13.76271       79.02574 
1 1 1 3  33 10 o 79.96573 39.05045 -2.194264      1.452979  -1.959660      2.572288  -2.304193      1.760786  115.0321 55.13053 89.80153 43.65961 25.23055       70.32452 
1 1 1 3  33 12 o 114.5916 52.70634 -0.3465514     1.963204  0.4418079      2.612240  -1.369733      2.975962  136.4796 62.01827 125.4694 59.90620 11.01020       86.22656 
1 1 1 3  33 14 o 138.5567 61.62708 1.120083       2.428788  1.120083       2.428788  0.000000       0.000000  138.5567 61.62708 ?        ?        ?              ?        
1 1 1 3  33 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  33 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  33 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  34 1  o 139.7697 62.42728 0.5271136      2.519437  4.272259       3.490669  -3.545479      3.640070  198.5001 80.25520 126.2656 61.69254 72.23444       101.2268 
1 1 1 3  34 3  o 126.8421 62.20857 -3.891931      3.807790  0.000000       0.000000  -3.891931      3.807790  ?        ?        126.8421 62.20857 ?              ?        
1 1 1 3  34 5  o 120.8049 56.99984 -1.148229      2.542044  0.000000       0.000000  -1.148229      2.542044  ?        ?        120.8049 56.99984 ?              ?        
1 1 1 3  34 7  o 100.5424 47.66496 -1.264642      1.817695  -2.395425      2.865729  -0.5034723     2.351184  116.3803 56.37444 121.9383 56.64344 -5.557968      79.91593 
1 1 1 3  34 9  o 130.2928 60.66361 -0.1268927     2.721050  -0.1268927     2.721050  0.000000       0.000000  130.2928 60.66361 ?        ?        ?              ?        
1 1 1 3  34 11 o 144.3537 59.43307 1.828717       1.957087  2.970633       2.582845  0.2891525      2.999027  165.2232 68.17638 134.9758 63.12177 30.24742       92.91058 
1 1 1 3  34 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  34 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  34 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  34 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  35 0  o 118.4452 78.75232 1.035254       3.533480  1.035254       3.533480  1.035254       3.533480  118.4452 78.75232 118.4452 78.75232 0.000000       0.000000 
1 1 1 3  35 2  o 125.0209 58.10654 -0.1701919     2.479346  -2.449847      3.242954  3.036834       3.846426  120.0791 58.57397 169.3681 76.27136 -49.28901      96.16772 
1 1 1 3  35 4  o 113.0606 52.88354 -0.5557651     2.106778  0.000000       0.000000  -0.5557651     2.106778  ?        ?        113.0606 52.88354 ?              ?        
1 1 1 3  35 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  35 8  o 159.5080 68.46465 2.835685       2.773225  2.835685       2.773225  0.000000       0.000000  159.5080 68.46465 ?        ?        ?              ?        
1 1 1 3  35 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  35 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  35 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  35 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  36 1  o 107.9770 52.43865 -1.684313      2.521518  -5.776554      3.266000  4.354323       3.967392  100.0595 50.38742 169.2091 76.70863 -69.14967      91.77748 
1 1 1 3  36 3  o 115.2289 54.66940 -0.5049748     2.400084  3.604981       3.062221  -7.050826      3.864568  165.1245 71.41686 104.6548 52.95311 60.46971       88.90669 
1 1 1 3  36 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  36 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  36 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  36 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  36 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  36 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  37 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  38 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  38 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  38 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3  38 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  0  0  o 898.1600 15.92725 57.14221       2.023049  57.14221       2.023049  57.14221       2.023049  898.1600 15.92725 898.1600 15.92725 0.000000       0.000000 
1 1 1 4  0  2  o 1638.035 15.53131 189.9543       3.599675  189.9543       3.599675  189.9543       3.599675  1638.035 15.53131 1638.035 15.53131 0.000000       0.000000 
1 1 1 4  0  4  f 2631.448 22.74730 490.3228       8.469765  490.3228       8.469765  490.3228       8.469765  2631.448 22.74730 2631.448 22.74730 0.000000       0.000000 
1 1 1 4  0  6  o 2712.976 33.61536 521.5901       12.90189  521.5901       12.90189  521.5901       12.90189  2712.976 33.61536 2712.976 33.61536 0.000000       0.000000 
1 1 1 4  0  8  o 3801.861 45.32566 1025.140       24.37930  1025.140       24.37930  1025.140       24.37930  3801.861 45.32566 3801.861 45.32566 0.000000       0.000000 
1 1 1 4  0  10 o 93.46163 51.09846 0.8651109      0.9642919 0.8651109      0.9642919 0.8651109      0.9642919 93.46163 51.09846 93.46163 51.09846 0.000000       0.000000 
1 1 1 4  0  12 o 204.8291 48.51266 3.429183       1.220917  3.429183       1.220917  3.429183       1.220917  204.8291 48.51266 204.8291 48.51266 0.000000       0.000000 
1 1 1 4  0  14 o 818.6711 22.94490 47.57876       2.653648  47.57876       2.653648  47.57876       2.653648  818.6711 22.94490 818.6711 22.94490 0.000000       0.000000 
1 1 1 4  0  16 o 2338.748 33.02731 388.3798       10.92650  388.3798       10.92650  388.3798       10.92650  2338.748 33.02731 2338.748 33.02731 0.000000       0.000000 
1 1 1 4  0  18 o 247.7330 56.04649 4.992324       1.713709  4.992324       1.713709  4.992324       1.713709  247.7330 56.04649 247.7330 56.04649 0.000000       0.000000 
1 1 1 4  0  20 o 685.9714 30.41934 33.61185       2.939829  33.61185       2.939829  33.61185       2.939829  685.9714 30.41934 685.9714 30.41934 0.000000       0.000000 
1 1 1 4  0  22 o 872.8242 29.73137 54.21785       3.662827  54.21785       3.662827  54.21785       3.662827  872.8242 29.73137 872.8242 29.73137 0.000000       0.000000 
1 1 1 4  0  24 o 325.9338 56.39016 8.205819       2.367860  8.205819       2.367860  8.205819       2.367860  325.9338 56.39016 325.9338 56.39016 0.000000       0.000000 
1 1 1 4  0  26 o 321.7827 64.86453 8.242489       2.617720  8.242489       2.617720  8.242489       2.617720  321.7827 64.86453 321.7827 64.86453 0.000000       0.000000 
1 1 1 4  0  28 o 1425.145 48.31484 145.6875       9.719081  145.6875       9.719081  145.6875       9.719081  1425.145 48.31484 1425.145 48.31484 0.000000       0.000000 
1 1 1 4  0  30 o 1124.199 49.76073 91.29285       7.881400  91.29285       7.881400  91.29285       7.881400  1124.199 49.76073 1124.199 49.76073 0.000000       0.000000 
1 1 1 4  0  32 o 1037.267 53.17319 78.82549       7.758478  78.82549       7.758478  78.82549       7.758478  1037.267 53.17319 1037.267 53.17319 0.000000       0.000000 
1 1 1 4  0  34 o 212.5693 114.1087 5.632969       4.723429  5.632969       4.723429  5.632969       4.723429  212.5693 114.1087 212.5693 114.1087 0.000000       0.000000 
1 1 1 4  0  36 o 677.0219 64.89135 35.95504       6.077869  35.95504       6.077869  35.95504       6.077869  677.0219 64.89135 677.0219 64.89135 0.000000       0.000000 
1 1 1 4  0  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  1  1  o 251.7869 9.874620 4.493665       0.3511805 5.229443       0.4838456 3.674540       0.5105153 271.5193 12.62633 227.2671 15.97451 44.25223       20.36196 
1 1 1 4  1  3  o 838.5786 8.599857 49.76639       1.020598  49.80788       1.547056  49.73443       1.358034  838.8544 13.03166 838.2654 11.44747 0.5890503      17.34556 
1 1 1 4  1  5  o 1835.634 13.08153 238.5052       3.398320  238.7707       5.194033  238.3065       4.493601  1836.272 19.98701 1834.654 17.30695 1.618652       26.43882 
1 1 1 4  1  7  f 2056.322 19.40122 299.4132       5.645988  300.2901       7.931741  298.5125       8.038598  2058.645 27.22497 2052.496 27.67440 6.148438       38.82101 
1 1 1 4  1  9  o 3578.634 30.54836 907.7947       15.47123  902.5776       21.73899  913.1489       22.02303  3565.240 43.08546 3585.968 43.39611 -20.72778      61.15210 
1 1 1 4  1  11 o 4020.477 34.16707 1146.705       19.44040  1152.274       27.61598  1141.234       27.37139  4025.041 48.48087 4005.797 48.28232 19.24341       68.42205 
1 1 1 4  1  13 o 1085.989 16.05256 83.51348       2.467115  83.77115       3.486669  83.25511       3.491391  1087.271 22.65965 1083.910 22.76070 3.360962       32.11712 
1 1 1 4  1  15 o 595.6582 18.09346 25.16486       1.523473  26.32948       2.193575  24.07966       2.117473  608.6110 25.52455 581.9538 25.77438 26.65723       36.27425 
1 1 1 4  1  17 o 155.9196 45.95532 1.772417       1.082787  1.430088       1.531125  2.114897       1.531459  153.1681 55.22442 172.8840 55.35291 -19.71593      78.19003 
1 1 1 4  1  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  1  21 f 1091.458 20.04042 84.51241       3.095519  81.51325       4.341527  87.61373       4.414845  1070.096 28.69408 1109.569 28.13790 -39.47363      40.18820 
1 1 1 4  1  23 f 807.2551 22.03111 46.24971       2.514552  43.89959       3.567703  48.56954       3.544636  785.1207 32.17761 826.1734 30.36829 -41.05267      44.24513 
1 1 1 4  1  25 o 997.2423 22.07129 70.56699       3.114930  72.33840       4.402906  68.79192       4.407450  1007.870 30.90500 982.6586 31.73473 25.21094       44.29686 
1 1 1 4  1  27 o 211.6052 66.32314 3.266866       2.208955  2.363704       2.666442  5.242701       3.943887  197.3951 72.61754 268.1035 89.03095 -70.70837      114.8905 
1 1 1 4  1  29 o 186.2448 72.97652 1.696241       2.799164  -0.8517563     4.088196  3.944980       3.840624  181.4160 80.36205 241.9193 87.43153 -60.50328      118.7532 
1 1 1 4  1  31 o 985.4120 36.96191 70.25106       5.145430  69.61874       7.379560  70.84933       7.178094  969.0132 54.02612 979.2109 51.98428 -10.19763      74.97457 
1 1 1 4  1  33 o 132.8714 62.74338 -2.798266      3.091480  -2.365259      4.500802  -3.185030      4.253681  168.9482 78.44292 157.6798 74.19334 11.26848       107.9720 
1 1 1 4  1  35 o 566.5401 48.16483 24.55534       3.825143  22.92591       5.251509  26.39684       5.582818  523.4264 72.86667 563.3506 71.64371 -39.92419      102.1879 
1 1 1 4  1  37 o 407.0565 66.00117 14.30965       3.672027  16.46448       5.335371  12.37035       5.061508  397.7043 95.91495 334.9393 99.52244 62.76505       138.2186 
1 1 1 4  1  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  2  0  o 160.2204 18.43641 1.887992       0.4036829 1.887992       0.4036829 1.887992       0.4036829 160.2204 18.43641 160.2204 18.43641 0.000000       0.000000 
1 1 1 4  2  2  o 792.9851 8.367740 44.50161       0.9390593 42.07581       1.380761  46.58927       1.280914  771.0055 12.65439 811.3317 11.15582 -40.32617      16.86968 
1 1 1 4  2  4  o 1355.542 9.982015 130.0455       1.914922  131.0836       2.728211  129.0375       2.688445  1360.816 14.16638 1350.157 14.07010 10.65906       19.96632 
1 1 1 4  2  6  o 4275.199 31.71190 1295.693       19.18661  1285.879       24.56306  1311.052       30.72881  4256.419 40.77728 4294.375 50.56221 -37.95557      64.95632 
1 1 1 4  2  8  o 2579.207 26.67153 471.3355       9.735402  468.4284       11.81233  477.4922       17.19007  2570.431 32.47207 2592.467 46.85378 -22.03589      57.00625 
1 1 1 4  2  10 o 660.3110 16.42578 30.86926       1.534950  32.56977       1.944561  28.05814       2.500180  677.8536 20.29341 628.5636 28.17785 49.28998       34.72483 
1 1 1 4  2  12 o 420.4917 17.91741 12.54406       1.063790  11.59989       1.502408  13.49333       1.506452  403.6725 26.44459 435.6671 24.53233 -31.99463      36.07148 
1 1 1 4  2  14 o 1669.716 18.85609 197.5204       4.455681  193.5618       6.195926  201.7601       6.412208  1651.904 26.50340 1686.468 26.86641 -34.56372      37.73903 
1 1 1 4  2  16 o 1546.120 18.93787 169.4825       4.143757  163.4906       5.677008  176.3152       6.062261  1517.139 26.44078 1575.348 27.19183 -58.20850      37.92770 
1 1 1 4  2  18 o 750.8022 25.86816 40.13988       2.744490  37.82063       3.895979  42.42450       3.866776  726.0945 38.04711 769.7687 35.59147 -43.67426      52.09929 
1 1 1 4  2  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  2  22 o 1634.288 21.68085 189.4508       5.014464  190.3731       7.073127  188.5187       7.110064  1636.318 30.54387 1628.249 30.85552 8.068726       43.41649 
1 1 1 4  2  24 o 1303.054 22.00210 120.4277       4.057386  132.1207       6.085179  111.0683       5.444198  1363.177 31.54288 1250.005 30.77531 113.1722       44.06896 
1 1 1 4  2  26 o 348.2535 42.68619 8.816565       2.059851  7.506669       2.510102  11.51767       3.604490  317.3181 58.03338 392.1901 67.36888 -74.87204      88.91816 
1 1 1 4  2  28 o 278.2843 57.22854 5.832564       2.178529  5.675811       2.715857  6.115446       3.648390  272.2273 70.08007 282.4568 84.63170 -10.22952      109.8806 
1 1 1 4  2  30 o 461.4336 56.47561 15.86424       3.611207  9.372088       5.092345  22.43177       5.121819  338.5862 99.62519 544.1706 67.98651 -205.5844      120.6124 
1 1 1 4  2  32 o 573.4770 50.49520 24.61415       4.056321  17.90383       5.545357  32.33661       5.948886  463.8887 87.68056 645.9884 65.99792 -182.0997      109.7434 
1 1 1 4  2  34 o 167.0131 72.19714 0.5247071      3.126352  0.1584200      4.680441  0.8197932      4.200977  191.0098 85.21568 189.9924 82.89429 1.017456       118.8830 
1 1 1 4  2  36 o 724.6052 45.42477 40.41112       4.634720  35.73048       6.446490  45.41909       6.668094  643.9584 71.96584 739.3838 64.36617 -95.42535      96.55095 
1 1 1 4  2  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  3  1  o 1057.448 9.869375 79.13820       1.476960  80.42813       2.121386  77.92473       2.057550  1065.933 14.06274 1049.218 13.85686 16.71472       19.74267 
1 1 1 4  3  3  o 572.0999 8.268382 23.16264       0.6694407 22.53108       1.006578  23.66353       0.8964304 564.1994 12.60652 578.2251 10.95468 -14.02570      16.70118 
1 1 1 4  3  5  o 1775.452 12.77730 223.1197       3.210464  225.7671       4.934377  221.1763       4.227672  1785.596 19.52672 1767.504 16.90134 18.09216       25.82534 
1 1 1 4  3  7  o 1571.230 14.41433 174.7573       3.205190  177.3441       4.173281  171.0370       5.004841  1582.613 18.63302 1553.972 22.75765 28.64111       29.41258 
1 1 1 4  3  9  f 2431.519 25.82429 418.8998       8.886402  405.2503       14.73152  426.7077       11.14182  2388.710 43.57772 2453.207 32.09238 -64.49756      54.11967 
1 1 1 4  3  11 o 507.4978 16.26000 18.25430       1.166309  19.12391       1.626752  17.33449       1.673042  519.1036 22.19478 494.0438 24.00064 25.05988       32.69005 
1 1 1 4  3  13 o 691.4479 16.05946 33.85684       1.571485  34.24028       2.253261  33.49371       2.192803  694.6937 22.95065 687.0997 22.58137 7.593994       32.19706 
1 1 1 4  3  15 o 1273.487 17.61281 114.9220       3.174264  113.7893       4.453045  116.0922       4.526020  1266.295 24.84863 1279.021 25.00454 -12.72668      35.25169 
1 1 1 4  3  17 o 1145.054 18.06833 92.98540       2.927952  93.87383       4.175595  92.12601       4.106761  1149.202 25.67451 1138.490 25.48885 10.71167       36.17820 
1 1 1 4  3  19 o 579.4467 21.37440 23.87913       1.749775  24.49487       2.448262  23.23620       2.501715  585.5268 29.64193 569.9607 31.13332 15.56610       42.98753 
1 1 1 4  3  21 o 1514.123 20.93009 162.6596       4.484891  169.5715       6.487788  156.3336       6.206730  1543.859 29.69403 1482.402 29.58537 61.45715       41.91694 
1 1 1 4  3  23 o 536.2924 24.93832 20.45354       1.887547  20.20241       2.638813  20.71666       2.701066  531.6516 35.27153 538.3466 35.65391 -6.694946      50.15259 
1 1 1 4  3  25 o 1143.109 30.31122 93.03190       4.899225  93.26622       7.222769  92.83221       6.667586  1140.417 44.84020 1138.860 41.43842 1.557251       61.05560 
1 1 1 4  3  27 o 1029.871 26.03790 75.51347       3.791930  80.44709       4.852434  67.77526       6.077114  1061.251 32.34663 969.9453 44.38980 91.30579       54.92503 
1 1 1 4  3  29 o 1084.033 27.69711 83.87472       4.245619  80.06617       5.185293  91.62130       7.395183  1056.516 34.72707 1124.278 46.57975 -67.76245      58.10028 
1 1 1 4  3  31 o 1200.923 36.10518 104.2796       6.129304  95.92803       8.917851  111.7571       8.438304  1135.203 55.67931 1232.811 48.46025 -97.60803      73.81450 
1 1 1 4  3  33 o 292.7339 79.60801 7.238128       3.384366  0.6586968E-02  5.113709  12.87429       4.514529  199.2296 88.96484 389.1589 84.40617 -189.9293      122.6342 
1 1 1 4  3  35 o 363.6295 69.47183 11.07586       3.444783  7.583409       4.891494  14.51223       4.852062  279.2493 98.92870 399.2596 88.22501 -120.0103      132.5539 
1 1 1 4  3  37 o 561.8913 51.77507 25.37816       4.070847  16.28332       5.760293  34.45252       5.753804  380.7038 103.9932 634.2389 65.02322 -253.5351      122.6483 
1 1 1 4  3  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  4  0  f 970.0345 11.78005 66.62112       1.616627  66.62112       1.616627  66.62112       1.616627  970.0345 11.78005 970.0345 11.78005 0.000000       0.000000 
1 1 1 4  4  2  o 1835.423 12.81522 238.4481       3.328757  241.8575       4.475543  234.2271       4.979887  1848.278 17.11034 1818.752 19.34757 29.52637       25.82813 
1 1 1 4  4  4  o 2378.979 14.84737 400.6341       4.998734  401.7194       7.098619  399.5666       7.040297  2381.708 21.06034 2375.329 20.94341 6.379395       29.70126 
1 1 1 4  4  6  o 1788.037 15.26917 226.3237       3.863772  222.7009       5.974307  228.9284       5.065795  1773.121 23.80835 1798.025 19.90821 -24.90393      31.03505 
1 1 1 4  4  8  o 948.8146 13.74904 63.72480       1.846178  65.79059       2.666851  61.82375       2.558310  963.8942 19.55012 934.3906 19.34661 29.50366       27.50452 
1 1 1 4  4  10 o 522.0885 15.44952 19.31444       1.140252  19.60290       1.572311  18.99444       1.656068  525.6578 21.17900 517.3224 22.67533 8.335388       31.02774 
1 1 1 4  4  12 o 805.5888 15.62514 45.95190       1.781383  41.93840       2.374829  51.11558       2.693706  769.0535 21.84219 849.0540 22.43757 -80.00043      31.31335 
1 1 1 4  4  14 o 822.7872 16.88084 47.95623       1.965629  48.04810       2.734733  47.85806       2.827210  822.8145 23.50924 821.0955 24.35707 1.719055       33.85190 
1 1 1 4  4  16 o 106.4874 42.35998 0.4229168      0.9561048 -0.5935454     1.343420  1.466195       1.361025  101.3047 45.39157 150.4163 52.26781 -49.11157      69.22658 
1 1 1 4  4  18 o 1454.955 26.32520 150.6269       5.420519  151.8122       7.717881  149.4731       7.614704  1456.063 37.48518 1444.892 37.27010 11.17053       52.86018 
1 1 1 4  4  20 o 1606.957 30.86048 184.0124       7.018217  189.6983       9.998500  178.4901       9.853601  1625.437 43.50464 1576.277 44.21524 49.16003       62.02936 
1 1 1 4  4  22 o 377.5220 30.55269 10.19716       1.618408  9.984493       2.276298  10.41456       2.301458  371.2971 44.18566 379.4163 43.65622 -8.119171      62.11472 
1 1 1 4  4  24 o 1240.474 24.36193 109.2117       4.276802  105.2055       5.263970  116.9919       7.335759  1216.075 30.61108 1279.880 40.55126 -63.80505      50.80790 
1 1 1 4  4  26 o 1101.808 26.81275 86.36018       4.180876  87.38828       5.341401  84.73399       6.717764  1106.005 34.16642 1085.740 43.80984 20.26477       55.55759 
1 1 1 4  4  28 o 659.5403 32.94050 31.16621       3.064888  28.92352       3.806550  35.29996       5.167964  632.6017 42.77027 695.4464 52.90630 -62.84473      68.03214 
1 1 1 4  4  30 o 884.4522 30.59827 56.09510       3.824164  61.70629       4.968409  47.93882       5.990130  924.3741 38.06096 807.0029 52.73845 117.3713       65.03831 
1 1 1 4  4  32 f 251.9330 79.63160 5.163210       3.177973  13.46959       5.317761  0.5485434      3.963630  393.0449 96.35765 187.2967 81.12843 205.7482       125.9628 
1 1 1 4  4  34 o 292.9463 78.64410 7.409322       3.328573  11.39113       5.578381  5.207804       4.147907  341.3244 105.1433 247.6223 90.65775 93.70215       138.8306 
1 1 1 4  4  36 o 243.5322 80.84824 5.571926       3.252305  3.623021       4.780386  7.251370       4.437624  215.3791 91.07541 265.1438 94.19807 -49.76471      131.0267 
1 1 1 4  4  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  5  1  o 1599.120 10.93545 180.9875       2.474786  184.0780       3.562210  178.1042       3.440704  1612.530 15.60961 1586.161 15.32781 26.36865       21.87697 
1 1 1 4  5  3  o 583.5362 7.923073 24.09773       0.6543065 24.80543       0.9364337 23.42262       0.9146104 592.0086 11.17710 575.2702 11.23426 16.73840       15.84728 
1 1 1 4  5  5  o 1781.749 12.88638 224.7073       3.249357  230.4532       5.015398  220.5509       4.265671  1804.017 19.64469 1764.987 17.07757 39.02942       26.02992 
1 1 1 4  5  7  o 2477.800 19.77699 434.7517       6.934996  441.1543       9.034310  425.5666       10.82080  2495.362 25.58243 2450.145 31.20669 45.21631       40.35243 
1 1 1 4  5  9  o 2476.247 22.63630 434.3555       7.932666  437.3790       11.27054  431.3872       11.16715  2483.506 32.06709 2466.449 31.99266 17.05737       45.29712 
1 1 1 4  5  11 o 1178.379 15.78538 98.31791       2.632447  97.33953       3.684194  99.33844       3.762732  1172.140 22.20973 1184.098 22.45412 -11.95789      31.58258 
1 1 1 4  5  13 o 1111.745 18.47963 87.56033       2.907489  86.19199       4.874539  88.31598       3.622409  1101.382 31.30521 1116.180 22.93209 -14.79797      38.80589 
1 1 1 4  5  15 o 678.7640 19.55477 32.69216       1.876456  30.83958       2.337013  36.05363       3.148022  658.6271 25.11877 711.3189 31.34885 -52.69183      40.17093 
1 1 1 4  5  17 o 478.3696 28.20123 16.34387       1.900729  19.31586       2.869053  14.01916       2.537461  518.0373 39.43053 440.4923 41.18173 77.54495       57.01492 
1 1 1 4  5  19 o 455.8165 23.20434 14.80428       1.491928  13.49271       2.104848  16.12854       2.114998  433.2109 34.62008 474.4462 31.68101 -41.23529      46.92798 
1 1 1 4  5  21 o 1230.406 42.03196 108.3244       7.308190  108.3244       7.308190  0.000000       0.000000  1230.406 42.03196 ?        ?        ?              ?        
1 1 1 4  5  23 o 963.7361 23.96126 65.89857       3.268041  68.70799       4.202849  61.60223       5.197375  982.8209 30.25290 928.7994 39.63162 54.02148       49.85883 
1 1 1 4  5  25 o 264.2928 52.52894 5.199697       1.895502  5.069380       2.329366  5.455132       3.261209  259.2650 63.90145 269.6820 79.82411 -10.41702      102.2511 
1 1 1 4  5  27 o 1126.289 26.53609 90.30077       4.229671  91.13817       5.359852  88.91850       6.886315  1128.989 33.58353 1111.073 43.88127 17.91541       55.25776 
1 1 1 4  5  29 o 682.7440 33.20278 33.46518       3.198512  35.55914       4.081532  30.13277       5.148954  701.1049 41.31904 638.5660 57.59457 62.53888       70.88299 
1 1 1 4  5  31 o 479.6070 45.10659 16.98681       3.025635  18.05074       3.885360  15.34755       4.822784  488.4851 57.29052 436.3614 81.08040 52.12372       99.27857 
1 1 1 4  5  33 f 307.9607 76.88418 7.978877       3.340286  9.028365       5.383369  7.321884       4.259373  311.1368 104.0345 287.6060 92.33545 23.53082       139.1007 
1 1 1 4  5  35 o 536.1996 54.18013 22.61732       4.055025  21.18624       6.057364  23.77946       5.458603  475.7999 93.29369 526.8055 75.36143 -51.00562      119.9294 
1 1 1 4  5  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  5  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  6  0  o 1303.882 13.72678 120.3615       2.532320  120.3615       2.532320  120.3615       2.532320  1303.882 13.72678 1303.882 13.72678 0.000000       0.000000 
1 1 1 4  6  2  o 2957.963 17.79080 619.4882       7.447456  621.8959       10.57670  617.1204       10.48844  2962.818 25.22467 2951.436 25.11064 11.38184       35.59253 
1 1 1 4  6  4  o 823.2371 8.814067 47.96263       1.026883  48.21057       1.542387  47.76523       1.376238  825.2872 13.20591 821.4930 11.83777 3.794128       17.73496 
1 1 1 4  6  6  o 1152.528 10.84755 94.01331       1.769307  96.09337       2.540847  92.05524       2.465222  1165.077 15.41006 1140.339 15.27575 24.73828       21.69835 
1 1 1 4  6  8  f 1809.245 18.11667 231.7824       4.638693  231.6968       6.553260  231.8683       6.566967  1808.297 25.60754 1808.962 25.65167 -0.6647949     36.24575 
1 1 1 4  6  10 o 1118.103 15.14149 88.51052       2.395908  88.04578       3.370875  88.98501       3.406049  1114.857 21.36504 1120.781 21.47387 -5.924316      30.29178 
1 1 1 4  6  12 o 661.3018 16.08057 30.97016       1.504946  29.97674       2.106291  32.00625       2.151045  649.9328 22.93567 671.6223 22.66351 -21.68951      32.24406 
1 1 1 4  6  14 o 372.0033 21.95775 9.848489       1.150849  9.563878       1.624148  10.13550       1.630967  365.4182 31.72012 376.3712 30.89190 -10.95300      44.27726 
1 1 1 4  6  16 o 365.2578 24.04063 9.518435       1.235788  8.632354       1.734167  10.43266       1.761489  345.9301 35.94632 381.1581 32.97955 -35.22800      48.78308 
1 1 1 4  6  18 o 265.2991 34.62592 5.112380       1.269046  4.328587       1.798455  5.889665       1.790974  239.8451 54.25783 282.4912 46.40876 -42.64612      71.39807 
1 1 1 4  6  20 o 365.5085 32.27169 9.591768       1.652187  8.499528       2.107734  11.33247       2.660842  341.5202 44.67976 394.2174 48.73042 -52.69717      66.11304 
1 1 1 4  6  22 o 1463.246 23.81221 151.9177       4.931024  158.3466       6.391078  142.4615       7.751097  1492.639 30.25516 1413.278 38.79062 79.36145       49.19438 
1 1 1 4  6  24 o 767.9735 25.56610 41.93074       2.774756  43.33904       3.636326  39.96774       4.293156  779.5606 33.03534 747.0306 40.76310 32.53003       52.46869 
1 1 1 4  6  26 o 477.1194 34.78426 16.34653       2.332576  18.00329       2.951683  13.59114       3.806544  499.1885 42.17588 426.7776 65.08059 72.41086       77.55184 
1 1 1 4  6  28 o 255.9530 63.52826 5.004399       2.290333  5.092059       2.951541  4.871728       3.631073  258.0589 75.82368 256.9586 85.43016 1.100311       114.2258 
1 1 1 4  6  30 o 479.4966 42.05646 16.80050       2.825027  14.95526       3.575540  19.86614       4.608673  445.8584 58.04283 511.1018 65.19834 -65.24344      87.29143 
1 1 1 4  6  32 f 551.9007 41.88122 22.52285       3.246726  20.78860       4.173767  25.18034       5.166639  520.3063 57.64863 566.8240 65.61863 -46.51764      87.34512 
1 1 1 4  6  34 f 276.9795 81.05787 6.757382       3.378904  1.924889       5.035449  10.71560       4.557242  210.7122 91.35584 340.3168 92.30708 -129.6046      129.8710 
1 1 1 4  6  36 o 298.0181 80.15464 8.449042       3.453748  1.117169       4.513017  18.81258       5.365540  184.8183 82.97350 438.4478 89.50376 -253.6294      122.0472 
1 1 1 4  6  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  7  1  f 626.1068 8.020736 27.74212       0.7106936 28.61961       1.021759  26.91970       0.9891774 635.8928 11.35390 616.7191 11.33358 19.17377       16.04247 
1 1 1 4  7  3  o 518.4340 8.192430 19.02095       0.6010714 18.70840       0.8525484 19.32985       0.8475602 514.1228 11.71743 522.5949 11.46002 -8.472107      16.38995 
1 1 1 4  7  5  o 1052.805 9.744069 78.44489       1.451804  77.81395       2.163568  78.96167       1.958096  1048.444 14.58161 1056.189 13.10004 -7.745483      19.60190 
1 1 1 4  7  7  o 2077.393 17.34688 305.5620       5.099879  305.4092       6.516397  305.8036       8.192620  2076.460 22.17502 2077.185 27.86942 -0.7241211     35.61511 
1 1 1 4  7  9  o 1683.089 17.76363 200.5999       4.231151  205.7833       6.155684  195.9578       5.825465  1704.013 25.52605 1662.911 24.75379 41.10156       35.55741 
1 1 1 4  7  11 o 576.7787 15.69622 23.57486       1.280030  24.56337       1.845770  22.65897       1.776677  588.3302 22.20839 565.0257 22.26237 23.30450       31.44560 
1 1 1 4  7  13 o 800.8558 16.27440 45.43484       1.844502  47.04800       2.652467  43.92433       2.566687  814.1635 23.04388 786.6458 23.08043 27.51770       32.61482 
1 1 1 4  7  15 o 244.9364 32.07370 4.344255       1.085103  4.568127       1.533603  4.119820       1.535535  248.7557 45.22879 235.4959 47.71090 13.25984       65.74171 
1 1 1 4  7  17 o 853.8004 23.54788 51.85681       2.842582  50.26977       4.024221  53.43724       4.015829  838.2182 33.99437 864.5667 32.88132 -26.34845      47.29480 
1 1 1 4  7  19 o 998.9761 21.85861 70.87524       3.090277  66.00439       3.750473  81.17490       5.453751  962.6120 27.55892 1065.099 36.23418 -102.4868      45.52374 
1 1 1 4  7  21 o 1021.407 43.67412 74.68933       6.298532  74.68933       6.298532  0.000000       0.000000  1021.407 43.67412 ?        ?        ?              ?        
1 1 1 4  7  23 o 1254.017 23.83910 111.5907       4.230708  108.3197       5.256783  117.6048       7.128001  1234.465 30.08996 1283.665 39.28327 -49.20032      49.48314 
1 1 1 4  7  25 o 280.4452 50.24585 5.829244       1.920951  7.619189       2.464670  3.059323       3.066002  320.0557 56.47825 217.9927 78.20333 102.0630       96.46529 
1 1 1 4  7  27 o 460.3044 37.37763 15.27918       2.413941  12.49478       2.967086  20.73024       4.151499  412.1530 52.02577 531.0145 56.08979 -118.8615      76.50323 
1 1 1 4  7  29 o 938.1388 29.02435 62.98251       3.848812  61.60884       4.939782  65.10479       6.140001  924.2231 37.84695 945.8904 46.00578 -21.66730      59.57284 
1 1 1 4  7  31 o 524.1680 39.95813 20.15516       2.941778  18.15423       3.713212  23.52807       4.820994  489.9685 54.46986 552.9694 62.71093 -63.00092      83.06399 
1 1 1 4  7  33 o 327.1911 61.82401 8.564171       2.757841  9.516603       3.587559  7.188284       4.311945  335.1251 77.22984 282.6550 93.06219 52.47009       120.9339 
1 1 1 4  7  35 o 550.6826 49.71461 23.67414       3.832726  27.78280       5.922732  20.71394       5.027270  563.8876 76.16366 487.3556 75.31540 76.53207       107.1135 
1 1 1 4  7  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  7  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  8  0  o 1632.568 15.89415 188.6953       3.671435  188.6953       3.671435  188.6953       3.671435  1632.568 15.89415 1632.568 15.89415 0.000000       0.000000 
1 1 1 4  8  2  o 2189.248 13.91817 339.2670       4.312181  342.0168       6.145616  336.6003       6.052146  2197.686 19.75968 2180.227 19.61498 17.45972       27.84228 
1 1 1 4  8  4  o 200.1619 13.34944 2.848600       0.3759889 2.906192       0.5595143 2.801179       0.5077098 201.6064 19.86837 198.0546 18.32148 3.551758       27.02644 
1 1 1 4  8  6  f 1193.427 11.04805 100.8079       1.865955  99.25854       2.594876  102.4670       2.685158  1184.072 15.48527 1203.045 15.77132 -18.97327      22.10267 
1 1 1 4  8  8  o 1344.895 15.70741 128.0629       2.989597  125.5422       4.178310  130.7069       4.279356  1331.202 22.17875 1358.302 22.26190 -27.10059      31.42434 
1 1 1 4  8  10 o 202.6335 28.90868 2.970904       0.8055325 3.446184       1.175466  2.550072       1.106087  216.8235 39.77275 185.6576 42.95132 31.16585       58.53791 
1 1 1 4  8  12 o 123.0988 41.74104 0.9997824      0.8665172 0.2781613      1.251804  1.663659       1.200675  115.1481 47.48318 154.0338 48.97841 -38.88571      68.21684 
1 1 1 4  8  14 o 468.5579 20.09738 15.60021       1.329571  17.21064       1.979350  14.27613       1.794767  491.1874 28.59815 447.2160 28.50609 43.97141       40.37885 
1 1 1 4  8  16 o 807.5411 22.82340 46.37185       2.605727  45.37986       3.659422  47.39212       3.711234  796.8364 32.51898 814.4021 32.26413 -17.56573      45.80893 
1 1 1 4  8  18 o 255.1652 38.82507 4.766893       1.357869  5.246109       1.788637  4.115002       2.086144  265.5630 49.41006 233.3092 62.09305 32.25377       79.35301 
1 1 1 4  8  20 o 837.9328 22.24106 49.86140       2.635120  50.73610       3.423032  48.58895       4.128595  844.2581 28.69112 824.8876 35.44888 19.37048       45.60486 
1 1 1 4  8  22 o 2945.672 60.76337 624.9077       25.33064  624.9077       25.33064  0.000000       0.000000  2945.672 60.76337 ?        ?        ?              ?        
1 1 1 4  8  24 o 1050.628 24.09340 78.39581       3.582342  81.50020       4.660401  73.91255       5.600580  1069.538 30.82197 1016.385 39.00874 53.15332       49.71595 
1 1 1 4  8  26 o 673.2401 28.40398 32.35023       2.700176  30.49876       3.381621  35.60737       4.485240  651.7394 36.81293 701.8100 45.40286 -50.07056      58.45179 
1 1 1 4  8  28 o 259.9288 62.19176 5.171290       2.257066  3.646637       2.953526  7.311600       3.499401  225.9569 77.05605 305.3222 80.02950 -79.36537      111.0962 
1 1 1 4  8  30 o 494.7419 42.11291 17.94443       2.920586  12.71928       3.521285  29.46227       5.228016  406.8991 63.19950 624.6495 59.87200 -217.7504      87.05650 
1 1 1 4  8  32 o 1054.557 30.75499 80.60179       4.585021  79.72786       5.842844  82.00248       7.397044  1040.604 39.74828 1043.342 50.24467 -2.738647      64.06600 
1 1 1 4  8  34 o 187.2253 70.80317 2.545943       2.569650  1.495162       3.489403  3.790985       3.798282  183.1202 77.64000 219.2699 85.26960 -36.14973      115.3207 
1 1 1 4  8  36 o 178.0460 78.57349 1.396625       3.872988  0.000000       0.000000  1.396625       3.872988  ?        ?        178.0460 78.57349 ?              ?        
1 1 1 4  8  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  9  1  o 1490.440 10.70518 157.2245       2.258022  155.6114       3.160194  158.9070       3.227522  1482.606 15.06150 1498.216 15.22212 -15.61023      21.41405 
1 1 1 4  9  3  f 1988.251 13.06503 279.8256       3.676219  284.7926       5.299428  275.2182       5.103995  2005.447 18.67231 1971.477 18.29358 33.96985       26.14020 
1 1 1 4  9  5  o 1179.813 10.79690 98.52099       1.802736  97.46412       2.528510  99.61362       2.570925  1173.318 15.22752 1186.182 15.31505 -12.86426      21.59695 
1 1 1 4  9  7  o 862.4951 11.42872 52.65540       1.394999  53.76885       1.737114  50.63327       2.340980  871.4937 14.08459 845.5089 19.56409 25.98474       24.10662 
1 1 1 4  9  9  o 1406.607 16.56328 140.1153       3.297151  142.5409       4.710472  137.7853       4.616694  1418.154 23.47043 1394.304 23.39667 23.85083       33.14008 
1 1 1 4  9  11 o 594.8252 16.64236 25.08263       1.399577  22.45434       1.925690  28.02544       2.037655  562.1594 24.26223 628.2762 22.95573 -66.11682      33.40092 
1 1 1 4  9  13 o 140.2312 43.02282 1.406797       0.9351574 1.606619       1.303503  1.194880       1.342378  153.6779 51.18835 142.0752 51.64135 11.60269       72.71228 
1 1 1 4  9  15 o 345.6535 30.88107 8.581730       1.494718  8.533695       2.133446  8.628040       2.094785  341.8064 45.21206 343.9909 44.03894 -2.184479      63.11544 
1 1 1 4  9  17 o 1005.553 20.30900 71.80202       2.890103  72.51863       3.739058  70.73843       4.555164  1009.040 26.20605 994.8547 32.39695 14.18536       41.66917 
1 1 1 4  9  19 f 1272.985 21.94740 115.0308       3.953903  115.0245       5.098639  115.0402       6.262424  1271.609 28.33224 1269.503 34.89000 2.105835       44.94473 
1 1 1 4  9  21 o 969.0826 26.31424 66.72799       3.605531  61.91656       5.163579  71.30599       5.036768  931.0805 39.27537 1000.097 35.64388 -69.01691      53.03811 
1 1 1 4  9  23 o 1395.913 24.13767 138.3447       4.768410  140.0261       6.119691  135.7462       7.607713  1402.890 30.82379 1378.482 39.03648 24.40771       49.73885 
1 1 1 4  9  25 f 1248.777 24.83814 110.9008       4.389588  114.4537       5.707299  105.7554       6.868320  1266.188 31.87558 1213.996 40.03205 52.19202       51.17243 
1 1 1 4  9  27 o 180.8767 64.17657 2.138655       2.059175  2.179596       2.686922  2.080389       3.205438  193.0688 72.53421 200.8887 78.27307 -7.819870      106.7140 
1 1 1 4  9  29 o 500.5531 38.51194 18.20367       2.707173  21.38870       3.529390  13.65155       4.219391  539.6447 46.67214 418.3508 73.97254 121.2939       87.46557 
1 1 1 4  9  31 o 278.5187 68.88524 6.285882       2.699916  3.421833       3.435745  10.91014       4.365682  218.8004 82.05901 357.3330 87.12725 -138.5326      119.6864 
1 1 1 4  9  33 o 329.4795 63.23993 8.809811       2.841564  7.433772       3.628054  10.99341       4.570306  288.8883 83.83705 345.5794 91.87539 -56.69110      124.3774 
1 1 1 4  9  35 o 546.9295 38.83991 22.68730       2.986720  21.17822       3.497807  26.74919       5.738572  519.2029 48.15216 546.3221 76.30078 -27.11926      90.22438 
1 1 1 4  9  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  10 0  o 769.8362 12.26747 41.97484       1.335748  41.97484       1.335748  41.97484       1.335748  769.8362 12.26747 769.8362 12.26747 0.000000       0.000000 
1 1 1 4  10 2  o 596.8038 8.687456 25.20731       0.7337430 25.84216       1.043100  24.58551       1.032323  604.2225 12.19858 589.3456 12.37729 14.87689       17.37822 
1 1 1 4  10 4  o 1390.320 11.07826 136.8186       2.179748  134.0018       3.226808  139.1827       2.956197  1375.688 16.57422 1402.117 14.89805 -26.42871      22.28580 
1 1 1 4  10 6  o 298.2729 11.27061 6.306372       0.4748966 6.292424       0.6577452 6.321562       0.6863800 297.6983 15.66726 298.3458 16.31855 -0.6474915     22.62207 
1 1 1 4  10 8  o 1560.454 14.69943 172.4159       3.246168  170.6731       4.038756  175.5966       5.456102  1552.259 18.38500 1573.862 24.49606 -21.60278      30.62785 
1 1 1 4  10 10 o 895.3192 15.39346 56.77372       1.950446  55.24762       2.692472  58.45887       2.829308  882.8123 21.55078 908.0706 22.01612 -25.25836      30.80821 
1 1 1 4  10 12 o 800.5491 17.92802 45.42785       2.031141  46.38840       2.620272  43.98172       3.215052  808.1992 22.93229 786.0804 28.94968 22.11884       36.93202 
1 1 1 4  10 14 o 89.15229 39.64401 -0.3687964     1.004500  0.2739427      1.298062  -1.328247      1.585950  116.4309 48.21473 100.7362 46.70031 15.69475       67.12361 
1 1 1 4  10 16 o 568.1650 21.71800 22.96928       1.743066  23.53071       2.295225  22.20429       2.679218  573.9708 28.34399 556.3265 34.19495 17.64429       44.41483 
1 1 1 4  10 18 o 135.7266 49.75951 1.073779       1.250266  0.7954671      1.628960  1.472778       1.950432  139.8831 55.40499 164.0178 61.76051 -24.13470      82.97031 
1 1 1 4  10 20 f 574.0585 25.51600 23.44339       2.067769  21.70268       2.560582  26.70644       3.505793  551.2833 32.97107 610.3736 40.82013 -59.09033      52.47260 
1 1 1 4  10 22 o 447.5938 71.83863 14.89694       4.396623  14.89694       4.396623  0.000000       0.000000  447.5938 71.83863 ?        ?        ?              ?        
1 1 1 4  10 24 o 206.6093 57.15840 3.190842       1.727695  3.931283       2.316890  2.263390       2.593020  229.4080 67.11710 194.2241 71.58323 35.18390       98.12678 
1 1 1 4  10 26 o 428.6748 38.08537 13.28075       2.286475  12.65616       2.953825  14.21449       3.611572  414.8374 51.41340 437.1843 59.95021 -22.34692      78.97699 
1 1 1 4  10 28 f 283.2321 63.20313 6.175176       2.469037  3.177916       3.104326  11.33566       4.073337  217.2783 78.59437 379.9151 78.36326 -162.6368      110.9859 
1 1 1 4  10 30 o 459.4964 45.97528 15.70216       2.949585  12.58389       3.788517  20.50139       4.700000  398.6263 69.69184 513.1964 66.25813 -114.5701      96.16180 
1 1 1 4  10 32 o 363.5778 55.70355 10.32631       2.774983  9.749414       3.593333  11.17874       4.367932  339.4985 76.61476 355.6104 87.41890 -16.11185      116.2406 
1 1 1 4  10 34 o 233.7932 65.05698 4.660529       2.231021  3.535262       2.645985  7.428102       4.149627  205.5144 72.76484 275.2790 91.32074 -69.76462      116.7656 
1 1 1 4  10 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  10 38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  11 1  o 518.1276 9.129977 18.99996       0.6694625 18.95235       0.9481288 19.04731       0.9454029 517.2618 12.96222 518.7198 12.87847 -1.458069      18.27222 
1 1 1 4  11 3  o 904.6047 11.42338 57.92331       1.462424  56.88185       1.799660  59.94803       2.509281  896.3537 14.18702 919.9939 19.27279 -23.64020      23.93140 
1 1 1 4  11 5  o 1603.965 12.96601 182.1314       2.943209  180.0592       4.103576  184.3266       4.223675  1594.451 18.18576 1613.208 18.50036 -18.75732      25.94196 
1 1 1 4  11 7  o 1143.591 13.70664 92.59699       2.218306  96.64793       2.958819  87.39729       3.352196  1168.086 17.89880 1110.535 21.32933 57.55066       27.84434 
1 1 1 4  11 9  o 629.2308 12.91737 28.03531       1.150281  28.12915       1.305278  27.70908       2.433722  630.2222 14.63489 624.1963 27.61891 6.025879       31.25675 
1 1 1 4  11 11 o 531.6776 18.86041 20.06664       1.416873  21.09673       1.854774  18.62321       2.195588  544.6286 24.12402 510.8204 30.51028 33.80823       38.89532 
1 1 1 4  11 13 o 881.5119 18.45349 55.12440       2.302112  56.38171       2.973552  53.24329       3.637138  890.4830 23.61639 864.0891 29.78732 26.39386       38.01340 
1 1 1 4  11 15 o 861.0279 21.75247 52.71024       2.648487  53.27332       3.777210  52.16566       3.714626  863.5200 30.95867 854.5351 30.76626 8.984924       43.64633 
1 1 1 4  11 17 f 365.5780 27.75009 9.568359       1.424977  9.414257       1.890625  9.771037       2.168220  360.8548 37.57095 366.6207 42.58062 -5.765930      56.78632 
1 1 1 4  11 19 o 643.5320 23.20553 29.42978       2.109939  29.16556       2.717058  29.83116       3.348832  639.7019 30.09684 645.8429 36.79145 -6.140991      47.53347 
1 1 1 4  11 21 o 1135.355 22.68668 91.45271       3.645208  90.27261       4.694820  93.24401       5.784196  1126.608 29.47132 1143.637 35.78243 -17.02917      46.35667 
1 1 1 4  11 23 o 461.1234 71.53395 15.91420       4.517047  15.91420       4.517047  0.000000       0.000000  461.1234 71.53395 ?        ?        ?              ?        
1 1 1 4  11 25 o 406.1683 41.72015 11.97666       2.364068  10.42252       3.436049  13.37362       3.257671  370.9072 67.96353 425.5649 55.40472 -54.65768      87.68537 
1 1 1 4  11 27 o 513.2797 38.56400 19.06390       2.780793  16.55578       3.629098  22.63073       4.327788  472.5412 55.31287 553.0346 56.07006 -80.49341      78.76144 
1 1 1 4  11 29 o 232.5362 69.76154 4.235284       2.477783  3.756593       3.169396  4.987750       3.973674  225.9511 79.67012 254.4135 89.24842 -28.46245      119.6353 
1 1 1 4  11 31 f 873.9441 27.58034 55.15413       3.406897  53.99174       4.054229  57.94756       6.284950  860.6946 33.34739 874.9765 50.97657 -14.28192      60.91518 
1 1 1 4  11 33 o 171.7937 64.69026 2.068198       2.139899  1.940863       2.572967  2.353885       3.853961  175.4829 69.59178 198.6754 82.74336 -23.19254      108.1179 
1 1 1 4  11 35 o 142.0451 61.56876 0.5732535      2.285901  -0.8426068     2.757333  3.685022       4.087735  134.9552 62.21381 205.9339 85.44464 -70.97873      105.6946 
1 1 1 4  11 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  12 0  o 951.6841 13.50950 64.14317       1.818673  64.14317       1.818673  64.14317       1.818673  951.6841 13.50950 951.6841 13.50950 0.000000       0.000000 
1 1 1 4  12 2  o 627.7598 9.173025 27.89223       0.8149405 27.56090       1.137399  28.24175       1.168218  623.9459 12.88090 631.6012 13.06957 -7.655273      18.35024 
1 1 1 4  12 4  o 783.1004 9.407438 43.40549       1.042578  43.77149       1.551578  43.10421       1.407750  786.2649 13.94392 780.2877 12.74826 5.977234       18.89315 
1 1 1 4  12 6  o 486.4669 9.752603 16.75112       0.6714190 17.58368       0.9297282 15.84365       0.9706531 498.1647 13.19915 472.7865 14.52428 25.37823       19.62581 
1 1 1 4  12 8  o 1087.679 13.50514 83.77998       2.078833  83.27053       2.361818  85.53199       4.379868  1084.237 15.39226 1097.151 28.23163 -12.91357      32.15504 
1 1 1 4  12 10 o 411.1548 14.31261 11.99037       0.8315365 11.61925       0.9238346 13.57422       1.908512  404.5996 16.16681 435.6871 31.15852 -31.08752      35.10297 
1 1 1 4  12 12 o 482.3177 20.56260 16.54318       1.400339  17.74689       1.875390  15.02634       2.105237  498.7656 26.66593 457.8389 32.70683 40.92667       42.19963 
1 1 1 4  12 14 o 737.8547 21.66092 38.71711       2.259421  38.63775       3.195789  38.79643       3.194820  735.2338 30.78185 736.7621 30.70806 -1.528320      43.47996 
1 1 1 4  12 16 o 668.7831 20.69459 31.79239       1.956316  31.51441       2.535105  32.20164       3.075974  664.7980 27.00171 670.8760 32.49482 -6.078064      42.24933 
1 1 1 4  12 18 o 1372.263 21.66682 133.6205       4.207772  133.5127       5.405860  133.7861       6.702377  1370.463 27.87261 1369.738 34.60346 0.7252197      44.43289 
1 1 1 4  12 20 o 494.4606 26.39632 17.41079       1.840425  17.81641       2.367002  16.79068       2.926697  499.2181 33.70087 482.9377 43.28041 16.28046       54.85383 
1 1 1 4  12 22 o 1176.745 48.83316 99.68928       8.114695  99.68928       8.114695  0.000000       0.000000  1176.745 48.83316 ?        ?        ?              ?        
1 1 1 4  12 24 o 536.4202 30.84151 20.59834       2.331449  20.18187       3.032367  21.20047       3.646171  528.6605 40.84739 539.8214 48.23500 -11.16089      63.20700 
1 1 1 4  12 26 o 312.3048 52.87204 7.290066       2.253520  7.858397       2.959146  6.505390       3.477049  319.9471 67.48056 288.4169 81.56349 31.53024       105.8595 
1 1 1 4  12 28 o 351.7515 53.47862 9.319663       2.578441  8.912085       3.306415  9.952182       4.118968  336.3544 71.65610 350.0708 84.17851 -13.71640      110.5469 
1 1 1 4  12 30 o 160.8873 64.04147 1.319459       2.186706  3.480702       2.568621  -4.370866      4.167895  211.7150 71.86539 147.4896 70.54919 64.22539       100.7066 
1 1 1 4  12 32 o 188.3697 65.59821 2.749619       2.144379  2.180065       2.585360  4.005305       3.838786  181.2033 70.38216 224.2809 86.12173 -43.07755      111.2232 
1 1 1 4  12 34 o 236.9083 66.48769 4.966595       2.319635  8.280056       2.993899  -0.9717610E-02 3.669019  303.9501 70.90576 162.3575 73.66808 141.5926       102.2478 
1 1 1 4  12 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  13 1  o 408.0155 11.84384 11.79556       0.6831707 13.11857       0.9314587 10.25530       1.005029  430.1280 15.32642 380.0063 18.74609 50.12167       24.21394 
1 1 1 4  13 3  o 688.4402 10.59822 33.55051       1.032569  34.31339       1.516431  32.89103       1.409926  696.0660 15.39403 681.5154 14.61843 14.55060       21.22910 
1 1 1 4  13 5  o 286.8136 12.81331 5.836367       0.5187800 5.285348       0.7017320 6.500498       0.7703975 272.5049 18.30219 302.3557 18.08700 -29.85089      25.73149 
1 1 1 4  13 7  o 178.9891 13.93476 2.282862       0.3501974 2.256417       0.4649910 2.317519       0.5323162 177.4278 18.80429 179.5116 21.37274 -2.083755      28.46744 
1 1 1 4  13 9  o 139.5406 26.43176 1.429130       0.5028673 1.264648       0.5313703 2.840093       1.556307  130.7749 29.42492 195.6313 54.29815 -64.85641      61.75853 
1 1 1 4  13 11 o 123.6232 44.52802 0.9254339      0.9951466 0.8012360      1.244031  1.146134       1.658346  127.6963 49.02850 148.8550 56.74191 -21.15864      74.98959 
1 1 1 4  13 13 f 592.8629 21.89259 25.01235       1.833685  27.10711       2.636789  23.05054       2.551746  615.6547 30.35707 567.2779 31.91366 48.37683       44.04581 
1 1 1 4  13 15 o 237.3738 37.65495 4.131261       1.222774  3.832964       1.586541  4.567693       1.919046  225.9271 50.85157 246.0208 56.33437 -20.09377      75.89100 
1 1 1 4  13 17 o 671.0515 21.48100 31.98866       2.037372  33.00149       2.692938  30.63294       3.115615  680.6833 28.01500 654.7787 33.73620 25.90454       43.85170 
1 1 1 4  13 19 o 136.1592 51.33869 0.9749641      1.348717  0.5519415      1.787435  1.534235       2.055226  140.1538 57.14695 168.5658 63.41415 -28.41200      85.36468 
1 1 1 4  13 21 o 314.9879 38.42360 7.187907       1.677414  6.298468       2.068621  8.895634       2.866367  291.6924 52.01949 345.8111 60.78742 -54.11868      80.00711 
1 1 1 4  13 23 o 573.2549 35.33025 23.58974       2.852326  23.58974       2.852326  0.000000       0.000000  573.2549 35.33025 ?        ?        ?              ?        
1 1 1 4  13 25 o 204.1198 56.04311 3.142769       1.668029  3.192803       2.006390  3.030799       3.001475  207.0715 62.91854 214.4483 77.32007 -7.376862      99.68518 
1 1 1 4  13 27 o 382.0609 40.20207 10.67497       2.141170  10.81067       2.581752  10.37598       3.832191  381.6126 48.92921 362.1024 77.14482 19.51016       91.35311 
1 1 1 4  13 29 o 225.0246 76.68398 3.949677       2.924987  4.248884       4.387647  3.710343       3.924164  240.9378 92.18479 228.6653 87.25591 12.27249       126.9316 
1 1 1 4  13 31 o 199.7294 67.55611 3.157355       2.269677  1.267391       2.521536  11.22560       5.209881  164.7408 67.60486 341.2655 100.8617 -176.5247      121.4228 
1 1 1 4  13 33 o 172.8892 64.56841 2.242235       2.122609  2.436403       2.594053  1.848819       3.692463  181.7623 70.52782 185.7549 79.34882 -3.992538      106.1622 
1 1 1 4  13 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  13 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  14 0  o 687.7055 16.66254 33.54398       1.619524  33.54398       1.619524  33.54398       1.619524  687.7055 16.66254 687.7055 16.66254 0.000000       0.000000 
1 1 1 4  14 2  o 511.6204 13.18528 18.54842       0.9538823 16.93555       1.551641  19.52828       1.209411  488.1576 22.52077 524.7751 16.30452 -36.61758      27.80329 
1 1 1 4  14 4  o 507.0912 12.65123 18.20973       0.9079009 19.17963       1.650501  17.78893       1.087157  519.4957 22.50326 500.8703 15.35538 18.62537       27.24306 
1 1 1 4  14 6  o 367.6832 13.79935 9.589841       0.7167719 9.596671       1.463801  9.587687       0.8220703 366.3476 28.45678 367.4975 15.84369 -1.149872      32.57009 
1 1 1 4  14 8  o 435.8216 20.01116 13.50542       1.230950  14.15395       1.604194  12.57680       1.919611  445.5218 25.55013 418.8155 32.64468 26.70630       41.45461 
1 1 1 4  14 10 o 286.3634 15.84390 5.832222       0.6395923 5.954517       0.6891850 5.073037       1.717134  289.2585 16.90939 261.3575 48.20011 27.90103       51.08012 
1 1 1 4  14 12 o 251.9549 33.13113 4.612821       1.152752  5.000645       1.526415  4.098035       1.758605  260.3862 42.91620 233.0093 54.33439 27.37689       69.23891 
1 1 1 4  14 14 o 418.3092 25.76377 12.50061       1.517799  9.743909       2.051790  15.83232       2.255647  366.3737 40.23326 469.3987 34.18988 -103.0250      52.79832 
1 1 1 4  14 16 o 614.8463 17.71837 26.82681       1.540128  26.24853       1.797632  28.42272       2.986331  607.8320 20.92887 630.5908 33.58457 -22.75873      39.57198 
1 1 1 4  14 18 o 639.1726 18.56932 28.98585       1.677928  29.80774       1.999611  27.02983       3.084796  647.8505 21.84099 614.9768 35.59656 32.87366       41.76295 
1 1 1 4  14 20 o 575.2660 20.63852 23.50769       1.677500  23.34051       1.967452  23.95282       3.210392  572.7827 24.32678 577.7548 39.50166 -4.972107      46.39152 
1 1 1 4  14 22 o 680.8001 21.37144 32.95525       2.056530  32.45959       2.440152  34.17047       3.820795  674.9501 25.59252 689.3445 39.32814 -14.39441      46.92206 
1 1 1 4  14 24 o 501.4749 41.66447 18.22709       2.930204  18.22709       2.930204  0.000000       0.000000  501.4749 41.66447 ?        ?        ?              ?        
1 1 1 4  14 26 o 503.1806 29.89307 18.19065       2.119105  19.22760       2.549968  15.87597       3.809800  515.9116 35.13492 459.4597 60.02548 56.45184       69.55229 
1 1 1 4  14 28 o 361.4123 40.71048 9.659295       2.046049  10.72337       2.488503  7.439036       3.594621  378.1906 47.54326 298.9182 82.35025 79.27237       95.08904 
1 1 1 4  14 30 o 479.4341 38.04472 17.02289       2.560177  20.96104       3.226798  10.33173       4.206068  528.7841 43.50391 341.3256 86.86877 187.4585       97.15336 
1 1 1 4  14 32 o 118.0540 54.38650 -1.073529      2.102226  -1.776233      2.490768  0.6666667      3.919639  121.9575 57.19167 177.5249 78.66062 -55.56734      97.25420 
1 1 1 4  14 34 o 166.5687 63.65097 2.169826       2.090099  0.2974829      2.459608  7.035135       3.964865  140.7430 62.33965 253.8406 89.14152 -113.0976      108.7770 
1 1 1 4  14 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  15 1  o 1085.803 13.24984 83.50658       2.036018  82.54922       3.240566  84.13097       2.617062  1078.728 21.22702 1089.511 16.97316 -10.78259      27.17857 
1 1 1 4  15 3  o 167.3565 28.91754 2.047848       0.6601329 4.116810       1.229227  1.209321       0.7825536 237.3396 37.86848 129.7371 39.26787 107.6025       54.55260 
1 1 1 4  15 5  o 496.4551 13.73672 17.47521       0.9641953 17.69983       1.707174  17.37000       1.168389  498.5842 24.26755 494.7184 16.71220 3.865753       29.46543 
1 1 1 4  15 7  o 513.3577 18.99275 18.72503       1.377458  19.40382       1.778483  17.70740       2.177598  521.9390 24.14284 497.4492 31.08749 24.48984       39.36126 
1 1 1 4  15 9  o 492.9633 20.22717 17.28631       1.408141  17.43954       1.818641  17.05693       2.225111  494.2918 26.09063 487.6720 32.42484 6.619843       41.61840 
1 1 1 4  15 11 o 459.1699 10.89142 14.93571       0.7077467 15.09332       0.7482751 13.59790       2.180096  461.5585 11.45552 434.3183 35.78613 27.24023       37.57493 
1 1 1 4  15 13 o 507.8466 16.76912 18.31500       1.203557  18.81445       1.393076  16.84486       2.390066  514.4532 19.16767 484.0338 35.13018 30.41940       40.01911 
1 1 1 4  15 15 o 1076.900 16.14161 82.20411       2.460039  84.69150       2.931493  76.28201       4.523298  1092.713 18.95671 1034.541 30.92971 58.17200       36.27677 
1 1 1 4  15 17 o 416.5214 21.12284 12.33747       1.241050  11.48468       1.440085  14.79884       2.446548  401.3596 25.48493 453.9072 38.44747 -52.54755      46.12688 
1 1 1 4  15 19 o 755.1584 18.51920 40.43589       1.979157  40.22010       2.340124  40.97804       3.709193  752.5020 21.99773 757.4609 34.69399 -4.958862      41.08008 
1 1 1 4  15 21 f 671.0994 20.52879 32.00979       1.947417  31.12914       2.293810  34.28310       3.685410  661.1639 24.55749 690.9631 37.83307 -29.79919      45.10445 
1 1 1 4  15 23 o 566.0656 34.81556 23.03518       2.775579  23.03518       2.775579  0.000000       0.000000  566.0656 34.81556 ?        ?        ?              ?        
1 1 1 4  15 25 f 412.6262 33.27126 12.29343       1.926419  12.50462       2.333673  11.84169       3.413098  414.2712 40.31409 394.9792 63.18864 19.29196       74.95351 
1 1 1 4  15 27 o 487.1389 32.78356 17.20089       2.246945  17.58774       2.709032  16.34805       4.022352  490.0600 39.39273 460.3720 63.42118 29.68799       74.65945 
1 1 1 4  15 29 o 162.6705 66.10505 1.251911       2.382165  2.464774       3.253679  -0.1493597     3.497274  197.6455 78.29715 166.9261 74.11478 30.71936       107.8121 
1 1 1 4  15 31 o 224.3746 62.44774 4.197776       2.055443  3.318269       2.432643  6.392684       3.842971  201.5731 69.88722 261.8335 87.90385 -60.26047      112.3001 
1 1 1 4  15 33 o 191.1355 64.72636 3.191941       2.083547  3.187661       2.444376  3.203316       3.984477  191.0925 69.65172 198.3747 83.47672 -7.282242      108.7186 
1 1 1 4  15 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  16 0  o 317.6281 24.96967 7.285852       1.106000  7.285852       1.106000  7.285852       1.106000  317.6281 24.96967 317.6281 24.96967 0.000000       0.000000 
1 1 1 4  16 2  o 340.0731 17.23189 8.222226       0.8266225 8.835920       1.375944  7.875640       1.034023  351.2766 27.90703 332.2913 22.11413 18.98523       35.60670 
1 1 1 4  16 4  o 411.5899 15.14928 12.02507       0.8809166 12.96534       1.646475  11.64796       1.042712  425.9213 27.46166 404.7850 18.24898 21.13629       32.97223 
1 1 1 4  16 6  o 536.8234 13.25144 20.42227       1.006733  20.84498       1.945261  20.26764       1.176551  540.6669 25.49490 534.4092 15.57330 6.257690       29.87503 
1 1 1 4  16 8  o 384.5954 23.71065 10.56175       1.284254  9.723566       1.630882  11.92985       2.083588  367.6240 31.65519 406.4332 36.61675 -38.80917      48.40287 
1 1 1 4  16 10 o 129.9088 45.66612 1.080726       1.040716  1.050159       1.308251  1.133407       1.717491  136.2749 50.73096 149.6756 57.57155 -13.40070      76.73404 
1 1 1 4  16 12 o 72.76310 31.38855 -0.6119755E-01 0.5885053 0.3720714      0.6265365 -3.308535      1.715265  89.76564 34.70752 85.65350 41.95499 4.112144       54.45028 
1 1 1 4  16 14 o 561.1368 15.67192 22.33447       1.243327  22.71712       1.409799  20.99520       2.637501  565.7471 17.62972 541.4724 34.59990 24.27466       38.83246 
1 1 1 4  16 16 o 269.5008 27.93350 5.216307       1.049951  4.422031       1.179652  8.244184       2.303231  246.7901 34.73571 335.4883 50.03894 -88.69817      60.91359 
1 1 1 4  16 18 o 487.4288 20.61431 16.88519       1.418790  16.89895       1.653796  16.84684       2.761267  487.2448 24.05803 483.8422 40.70303 3.402618       47.28134 
1 1 1 4  16 20 o 95.08919 42.48115 -0.4739562     1.167405  1.037598       1.386824  -4.149596      2.162598  138.4220 52.08776 96.17729 47.10966 42.24469       70.23144 
1 1 1 4  16 22 o 267.0262 38.33012 5.219404       1.407015  5.862370       1.689227  3.762687       2.542619  281.9977 43.74374 225.3710 71.22704 56.62677       83.58712 
1 1 1 4  16 24 o 255.0444 68.15326 5.039195       2.506887  5.039195       2.506887  0.000000       0.000000  255.0444 68.15326 ?        ?        ?              ?        
1 1 1 4  16 26 o 208.7355 59.76673 3.366522       1.855494  3.278249       2.197353  3.585872       3.463824  207.6525 66.28456 225.5419 82.80089 -17.88940      106.0643 
1 1 1 4  16 28 o 186.0894 61.92637 2.646923       1.907839  1.866955       2.250097  4.641858       3.598547  172.2491 65.98741 238.5269 84.81763 -66.27773      107.4633 
1 1 1 4  16 30 o 84.93932 42.79907 -6.923502      2.375780  -4.935771      3.159261  -9.510645      3.604267  116.9308 57.20449 106.2812 53.44309 10.64957       78.28486 
1 1 1 4  16 32 o 97.37944 47.22939 -2.762681      2.027671  -2.275352      2.443449  -3.840484      3.633810  113.9589 54.37511 131.0059 63.46436 -17.04696      83.57259 
1 1 1 4  16 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  16 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  17 1  o 141.3219 37.63643 1.480786       0.7661165 0.9546639      1.191131  1.852003       1.000529  130.2764 48.42440 158.0034 43.41376 -27.72697      65.03596 
1 1 1 4  17 3  o 263.3122 21.66469 4.959803       0.8001804 5.626451       1.373703  4.617441       0.9844357 278.1816 35.71661 253.0492 27.95469 25.13242       45.35571 
1 1 1 4  17 5  o 465.5128 15.59074 15.38708       1.025663  16.25642       1.790054  14.96216       1.251465  476.9511 26.62562 458.6049 19.32569 18.34622       32.89994 
1 1 1 4  17 7  o 121.0660 29.24559 1.087532       0.4954068 1.468590       1.478236  1.039318       0.5258144 152.2809 54.33916 118.4763 31.00624 33.80460       62.56302 
1 1 1 4  17 9  o 617.4519 19.66056 27.10743       1.715793  26.81631       2.212464  27.54669       2.717734  613.1086 25.55478 620.2271 31.06139 -7.118408      40.22259 
1 1 1 4  17 11 f 403.5083 23.97144 11.61736       1.362714  11.68107       1.730291  11.51329       2.211362  403.5860 30.52068 398.8278 39.70602 4.758209       50.08073 
1 1 1 4  17 13 o 164.3560 29.83951 1.981398       0.6685049 2.054158       0.7201826 1.528300       1.797187  167.1321 31.60582 161.9392 59.60987 5.192932       67.47047 
1 1 1 4  17 15 o 1202.304 16.33329 102.4418       2.779124  103.0387       3.222646  100.7098       5.489382  1205.494 18.88981 1188.962 32.65480 16.53186       37.72480 
1 1 1 4  17 17 o 242.7868 30.43649 4.259590       1.022859  3.235711       1.148036  8.201572       2.252624  209.3578 40.20893 334.5714 49.02969 -125.2135      63.40874 
1 1 1 4  17 19 o 413.0454 22.63056 12.15973       1.317803  12.27936       1.526743  11.81019       2.609749  414.5804 26.15510 402.3423 46.70007 12.23819       53.52557 
1 1 1 4  17 21 o 332.7640 31.57401 7.983795       1.469123  7.488180       1.734828  9.240334       2.762308  320.5738 39.04353 351.3795 57.53864 -30.80566      69.53483 
1 1 1 4  17 23 o 121.6943 56.14143 -1.606721      2.251194  -1.606721      2.251194  0.000000       0.000000  121.6943 56.14143 ?        ?        ?              ?        
1 1 1 4  17 25 o 307.6023 45.31236 7.058559       1.913514  8.332154       2.271093  3.942048       3.552658  333.0790 49.69858 233.2142 84.11595 99.86479       97.70078 
1 1 1 4  17 27 o 138.1784 57.88911 0.5104120      1.903051  -0.5079058     2.220706  3.325778       3.692468  131.5312 58.68789 217.6821 84.23277 -86.15091      102.6617 
1 1 1 4  17 29 o 184.9505 62.19913 2.690575       1.924012  3.769764       2.272835  -0.3831029E-01 3.614195  213.2043 67.33725 167.4770 74.78860 45.72729       100.6362 
1 1 1 4  17 31 o 104.1203 50.39407 -2.947918      2.277972  -4.258069      3.035092  -1.257838      3.447188  115.6144 56.45485 147.2683 68.47001 -31.65387      88.74284 
1 1 1 4  17 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  17 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  18 0  o 436.4264 27.85503 13.69302       1.704146  13.69302       1.704146  13.69302       1.704146  436.4264 27.85503 436.4264 27.85503 -0.000000      0.000000 
1 1 1 4  18 2  o 159.1001 36.66642 1.886675       0.8086289 3.923256       1.390178  0.8452535      0.9941063 229.4915 44.40959 120.6464 44.34701 108.8451       62.76041 
1 1 1 4  18 4  o 494.8460 15.24528 17.38475       1.066367  21.73175       1.989597  15.63270       1.263115  551.7664 25.54880 468.7717 19.07965 82.99469       31.88689 
1 1 1 4  18 6  o 641.3334 14.09956 29.16339       1.279703  27.12557       2.198649  30.20743       1.573741  616.6383 25.24789 652.1841 17.06540 -35.54584      30.47432 
1 1 1 4  18 8  o 400.4646 24.55356 11.45508       1.384859  13.07557       1.811991  9.179072       2.147432  426.9854 30.18080 354.4278 43.73963 72.55759       53.14166 
1 1 1 4  18 10 o 418.4543 24.51557 12.49145       1.445451  10.44957       1.798328  16.21848       2.429601  381.1311 33.68717 474.9104 36.42769 -93.77930      49.61655 
1 1 1 4  18 12 o 560.6509 23.74547 22.36237       1.879786  20.71408       2.542279  24.35050       2.792085  538.0810 33.55230 583.4945 33.95885 -45.41351      47.73846 
1 1 1 4  18 14 o 176.5480 31.39749 2.283700       0.7557219 1.900265       0.8089128 4.914978       2.119039  160.1119 36.51150 255.9551 59.61420 -95.84323      69.90667 
1 1 1 4  18 16 o 251.4834 28.20141 4.553879       0.9864206 5.046642       1.103728  2.598379       2.198732  264.6187 30.00163 195.5283 66.48833 69.09044       72.94378 
1 1 1 4  18 18 o 401.8796 22.76075 11.51541       1.289209  11.45470       1.484801  11.70140       2.598738  400.2997 26.35640 400.3562 46.74522 -0.5645752E-01 53.66354 
1 1 1 4  18 20 o 231.1186 41.61101 3.958898       1.310970  2.319499       1.507745  9.038720       2.654055  177.9240 54.63637 347.9068 55.78971 -169.9828      78.08729 
1 1 1 4  18 22 o 541.2308 23.94171 20.91632       1.829285  23.19420       2.177064  15.44562       3.373855  569.2899 27.09984 456.4422 53.22791 112.8477       59.72949 
1 1 1 4  18 24 o 167.1466 66.49482 1.318773       2.356140  1.318773       2.356140  0.000000       0.000000  167.1466 66.49482 ?        ?        ?              ?        
1 1 1 4  18 26 o 220.5868 57.79910 3.859178       1.825718  2.299574       2.167179  7.672044       3.388547  180.9397 65.63763 301.5464 78.61112 -120.6068      102.4110 
1 1 1 4  18 28 f 109.3934 50.58032 -1.162290      1.842284  -0.3178372     2.163965  -3.386240      3.511762  130.7803 58.16922 136.2107 65.04601 -5.430389      87.26192 
1 1 1 4  18 30 o 270.5653 53.92301 5.972743       1.992231  5.966803       2.372292  5.986954       3.669551  263.3495 64.23512 248.3954 85.84949 14.95404       107.2207 
1 1 1 4  18 32 o 129.9286 56.85360 0.3611913      1.988700  -0.3415575     2.353921  2.113583       3.717126  128.9075 58.69220 178.3836 77.89919 -49.47614      97.53491 
1 1 1 4  18 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  19 1  o 212.8394 31.62384 3.307041       0.9236394 2.911478       1.427201  3.592107       1.211573  196.5599 50.90573 220.1480 40.37540 -23.58812      64.97358 
1 1 1 4  19 3  o 341.3276 20.45266 8.308619       0.9834322 8.830632       1.704403  8.048093       1.204083  349.4065 34.93642 335.1702 25.57785 14.23633       43.29873 
1 1 1 4  19 5  o 244.9726 26.19394 4.322518       0.8940316 2.541971       1.517947  5.268233       1.106267  185.1159 54.37209 270.1690 29.40777 -85.05310      61.81538 
1 1 1 4  19 7  o 497.1093 14.15947 17.53069       0.9951211 17.03162       1.993750  17.69627       1.148394  487.9857 29.00060 499.2503 16.27547 -11.26462      33.25546 
1 1 1 4  19 9  f 531.8961 21.72110 20.12110       1.631600  21.32478       2.143201  18.46184       2.516310  546.7354 27.79026 507.3013 35.26884 39.43408       44.90200 
1 1 1 4  19 11 o 581.6546 23.49084 24.06166       1.929697  24.50331       2.715420  23.61107       2.742793  585.5641 32.89977 574.5988 33.87975 10.96539       47.22533 
1 1 1 4  19 13 o 242.7213 39.82432 4.315043       1.320568  3.137769       1.627723  6.582147       2.258798  205.2001 54.95470 297.6713 55.66516 -92.47113      78.22167 
1 1 1 4  19 15 o 737.7262 15.02084 38.57067       1.568228  38.32045       1.755769  39.55782       3.487368  735.1791 16.87541 744.1362 33.19864 -8.957092      37.24150 
1 1 1 4  19 17 o 552.9660 18.20123 21.72391       1.422416  20.68843       1.596722  25.70498       3.130824  539.2536 20.96257 597.9168 37.18371 -58.66321      42.68557 
1 1 1 4  19 19 o 836.5698 18.25678 49.69758       2.161455  50.11171       2.524535  48.56040       4.183366  839.2516 21.27256 821.9777 36.04986 17.27386       41.85826 
1 1 1 4  19 21 o 536.0132 23.60256 20.51293       1.786028  19.73272       2.078474  22.71508       3.491912  524.7231 28.09187 557.9265 44.59585 -33.20337      52.70619 
1 1 1 4  19 23 o 125.7647 53.19103 0.2055973      1.631072  0.6266993E-01  1.897562  0.6099632      3.191725  132.0547 56.65633 174.7600 74.18151 -42.70534      93.34258 
1 1 1 4  19 25 o 239.9665 73.04945 4.712009       2.702835  4.712009       2.702835  0.000000       0.000000  239.9665 73.04945 ?        ?        ?              ?        
1 1 1 4  19 27 o 152.6326 59.34606 1.389678       1.839617  2.449484       2.158636  -1.422178      3.516113  181.3738 65.54794 152.3133 70.22968 29.06047       96.06633 
1 1 1 4  19 29 o 123.1128 54.42338 -0.1097138     1.865648  0.2616756      2.183912  -1.112699      3.588951  137.3916 59.85892 152.6398 70.58356 -15.24814      92.54799 
1 1 1 4  19 31 o 167.1132 69.08190 1.995938       2.658436  2.677485       3.463949  1.019254       4.146684  183.7413 77.60378 171.7157 78.07242 12.02563       110.0802 
1 1 1 4  19 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  20 0  o 275.1125 44.00860 5.791314       1.582163  5.791314       1.582163  5.791314       1.582163  275.1125 44.00860 275.1125 44.00860 -0.000000      0.000000 
1 1 1 4  20 2  o 182.3623 36.95157 2.466027       0.9209377 0.7601109      1.474234  3.557776       1.179368  133.8556 52.80498 219.4817 39.41782 -85.62608      65.89484 
1 1 1 4  20 4  o 99.09164 39.17828 0.3906075      0.8131809 1.234142       1.485632  0.2976897E-01  0.9716642 146.3432 54.13915 96.38004 40.92125 49.96320       67.86454 
1 1 1 4  20 6  o 195.3000 31.88978 2.788750       0.8510130 0.8074291      1.655527  3.500324       0.9921296 140.9065 55.84075 219.1206 33.01827 -78.21414      64.87215 
1 1 1 4  20 8  o 163.9002 52.14885 1.904148       1.360969  1.135662       1.931033  2.662636       1.918430  156.2272 60.78613 193.3231 61.95847 -37.09589      86.79749 
1 1 1 4  20 10 f 215.6775 47.97879 3.466746       1.426646  4.527638       2.009228  2.388024       2.026041  245.5553 58.62974 187.8564 63.82470 57.69894       86.66624 
1 1 1 4  20 12 o 289.2626 37.10246 6.066858       1.483920  6.634651       2.001741  5.374158       2.210984  300.2999 48.77325 267.5167 59.89453 32.78323       77.24108 
1 1 1 4  20 14 o 661.5715 23.91631 31.14347       2.235504  30.10145       3.061039  32.33444       3.272507  648.6606 33.45812 672.1177 34.52015 -23.45709      48.07376 
1 1 1 4  20 16 o 297.0754 23.23347 6.314510       0.9690241 6.150868       1.056898  7.177651       2.427316  292.8014 25.76848 309.1091 57.60631 -16.30768      63.10707 
1 1 1 4  20 18 o 136.4921 47.96315 1.204214       1.147974  0.4454171      1.299763  3.895661       2.447903  120.0031 48.80590 227.4510 69.57417 -107.4479      84.98576 
1 1 1 4  20 20 o 243.6333 42.30122 4.413260       1.405630  5.342907       1.632037  1.742530       2.766213  268.0129 44.59467 185.0018 72.52902 83.01112       85.14190 
1 1 1 4  20 22 o 171.9330 55.68863 2.163834       1.547091  1.886577       1.805962  2.928359       2.998909  168.0682 60.05150 208.5063 76.95843 -40.43806      97.61548 
1 1 1 4  20 24 o 160.6576 66.48393 0.9713252      2.465825  0.9713252      2.465825  0.000000       0.000000  160.6576 66.48393 ?        ?        ?              ?        
1 1 1 4  20 26 o 105.8058 49.25023 -1.311970      1.791705  -0.8614268     2.113604  -2.462492      3.377558  122.1207 55.60735 140.1844 66.00813 -18.06374      86.30904 
1 1 1 4  20 28 o 123.7629 54.28587 0.5403592E-02  1.822847  0.4405945      2.118311  -1.236396      3.578290  138.6954 59.68823 151.5734 70.22612 -12.87793      92.16503 
1 1 1 4  20 30 o 169.6644 62.77659 2.400812       1.997626  1.316140       2.363171  5.116126       3.739005  152.6818 64.27054 220.1384 84.87434 -67.45656      106.4629 
1 1 1 4  20 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  20 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  21 1  f 234.2575 35.11694 4.003342       1.128373  6.476197       1.675780  1.952219       1.526207  298.0051 40.80557 167.7057 55.37285 130.2994       68.78406 
1 1 1 4  21 3  o 258.0193 29.25482 4.799692       1.049411  4.822668       2.171960  4.792696       1.198600  252.7236 61.35227 257.0431 33.76515 -4.319534      70.02990 
1 1 1 4  21 5  o 206.6471 36.07758 3.135100       1.016716  7.848671       2.272789  1.955855       1.136805  326.4993 50.84258 163.1203 46.80532 163.3791       69.10648 
1 1 1 4  21 7  o 683.3660 16.03111 33.09926       1.550375  31.81818       3.231131  33.48242       1.767082  667.1645 34.33724 686.9066 18.19373 -19.74207      38.85946 
1 1 1 4  21 9  o 122.7078 50.68616 0.3222190      1.429621  0.2172707      2.002216  0.4313740      2.041948  140.5238 59.15614 145.6139 60.40121 -5.090057      84.54440 
1 1 1 4  21 11 o 365.4260 34.90788 9.612090       1.783357  9.045129       2.573206  10.13610       2.473825  350.3313 53.60286 372.6319 48.02599 -22.30057      71.97057 
1 1 1 4  21 13 o 317.0473 36.55236 7.282804       1.610072  8.496992       2.257626  6.026055       2.296854  340.0988 48.25930 282.7887 59.28990 57.31009       76.44771 
1 1 1 4  21 15 f 165.4667 57.26917 1.832998       1.633211  1.758296       2.223861  1.920462       2.406332  175.4388 65.97205 182.5384 68.62878 -7.099518      95.19569 
1 1 1 4  21 17 o 151.0578 45.02591 1.675676       1.034728  0.7498833      1.124661  6.779748       2.640724  121.7684 46.65123 297.1989 64.63032 -175.4305      79.70832 
1 1 1 4  21 19 o 313.7616 31.02488 7.123507       1.359607  7.217158       1.543595  6.799412       2.871526  314.8420 35.24773 294.8631 69.88699 19.97897       78.27256 
1 1 1 4  21 21 o 389.3731 30.70325 10.96935       1.678201  10.52875       1.934083  12.31182       3.376042  379.7238 36.43708 400.3394 61.55647 -20.61560      71.53223 
1 1 1 4  21 23 o 101.5465 46.86241 -1.067436      1.570440  -2.002838      1.801175  1.898006       3.207018  99.36810 47.20655 189.4469 76.80550 -90.07878      90.15289 
1 1 1 4  21 25 o 199.5180 71.42859 3.129220       2.556381  3.129220       2.556381  0.000000       0.000000  199.5180 71.42859 ?        ?        ?              ?        
1 1 1 4  21 27 o 101.4539 47.74910 -1.495950      1.763771  -1.723717      2.058383  -0.8667106     3.421278  108.9040 51.35617 151.8260 69.73917 -42.92202      86.60837 
1 1 1 4  21 29 o 155.7762 58.96783 1.865244       1.783395  1.275206       2.060454  3.627372       3.560751  147.3839 60.86167 198.3680 80.74261 -50.98412      101.1114 
1 1 1 4  21 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  21 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  22 0  o 79.73277 52.37779 -0.2428648     1.489617  -0.2428648     1.489617  -0.2428648     1.489617  79.73277 52.37779 79.73277 52.37779 -0.000000      0.000000 
1 1 1 4  22 2  o 178.8279 47.92941 2.376404       1.237559  3.225275       2.053553  1.892294       1.550805  209.7873 63.63517 166.5696 55.84006 43.21774       84.66137 
1 1 1 4  22 4  o 145.2896 45.48608 1.501100       1.039296  -2.344304      2.181751  2.629816       1.182024  112.4491 52.98029 187.8390 45.04701 -75.38995      69.54239 
1 1 1 4  22 6  o 411.0223 21.22518 12.02098       1.230447  10.16279       2.470631  12.63390       1.418939  373.2913 47.86728 421.0907 23.90872 -47.79938      53.50611 
1 1 1 4  22 8  o 320.8736 15.05348 7.312700       0.6816767 10.49581       2.557968  7.069361       0.7072529 379.1096 48.80841 315.4090 15.89583 63.70065       51.33165 
1 1 1 4  22 10 o 451.0206 29.51077 14.55158       1.873288  15.72488       2.605683  13.29643       2.695035  466.9257 39.81185 427.8552 45.19102 39.07047       60.22634 
1 1 1 4  22 12 o 155.1425 54.73423 1.551514       1.496066  3.591018       2.048496  -0.7797251     2.190112  218.5809 62.86523 130.6116 58.27960 87.96925       85.72368 
1 1 1 4  22 14 o 191.8834 56.85118 2.743931       1.653557  1.913988       2.277467  3.669180       2.404680  179.5576 66.91724 221.7552 69.15362 -42.19762      96.22962 
1 1 1 4  22 16 o 356.8156 39.74369 9.289558       1.972904  10.23770       2.721618  8.239583       2.864042  370.5484 53.44218 328.1632 63.96880 42.38519       83.35510 
1 1 1 4  22 18 o 108.6953 45.50904 0.1906369      1.175011  0.1880818      1.302772  0.2017807      2.720694  113.7511 47.79154 158.6648 67.95220 -44.91367      83.07547 
1 1 1 4  22 20 o 149.3620 54.47452 1.414542       1.495501  1.971156       1.727470  -0.2505605     2.987818  168.5915 58.86631 157.9860 69.39251 10.60544       90.99760 
1 1 1 4  22 22 f 119.4586 51.31395 0.8320338E-01  1.560090  -0.9580463     1.789404  3.382680       3.185323  111.1870 50.83364 213.5299 79.22269 -102.3429      94.12913 
1 1 1 4  22 24 o 179.5098 67.97775 2.273073       2.370543  2.273073       2.370543  0.000000       0.000000  179.5098 67.97775 ?        ?        ?              ?        
1 1 1 4  22 26 o 142.3933 56.83544 1.140030       1.726958  1.273251       2.009020  0.7629875      3.379806  150.8542 60.92322 167.9937 73.79572 -17.13951      95.69455 
1 1 1 4  22 28 o 154.0580 58.92791 1.785085       1.792576  1.371336       2.104957  2.877074       3.419667  149.9199 61.67199 187.2459 77.95930 -37.32599      99.40366 
1 1 1 4  22 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  22 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  23 1  f 215.0679 51.37192 3.462745       1.542063  3.348558       2.098737  3.596719       2.273323  213.3344 64.25016 221.0127 66.93565 -7.678360      92.78181 
1 1 1 4  23 3  o 90.45849 40.31997 -0.4092269     1.045360  0.3788674      2.103468  -0.6677092     1.204654  146.4080 61.06415 93.52883 42.34768 52.87914       74.31121 
1 1 1 4  23 5  o 130.3292 47.39764 1.006878       1.131032  2.357224       2.261947  0.5567014      1.306025  190.5870 67.29599 123.5157 49.38383 67.07124       83.47163 
1 1 1 4  23 7  o 101.3436 37.23197 0.5861713      0.7005561 1.874758       2.248078  0.4475781      0.7372681 179.2931 66.54823 97.69080 37.68235 81.60233       76.47631 
1 1 1 4  23 9  o 283.9485 45.28031 5.945498       1.758502  5.478434       2.529197  6.382573       2.446652  267.8201 66.92374 290.3521 61.46084 -22.53201      90.86375 
1 1 1 4  23 11 o 356.6727 36.04337 9.213262       1.794407  10.97887       2.534251  7.438080       2.541113  386.7194 47.28826 313.7843 59.39782 72.93515       75.92286 
1 1 1 4  23 13 o 252.5382 50.90124 4.803983       1.756270  3.150788       2.368736  6.822350       2.617307  208.5487 68.98914 298.2625 63.92789 -89.71379      94.05465 
1 1 1 4  23 15 o 149.4506 58.25396 1.091595       1.776030  2.643681       2.416383  -0.7320181     2.619233  196.8589 69.55135 143.7257 63.95758 53.13315       94.48789 
1 1 1 4  23 17 o 208.7437 38.07456 3.243856       1.083351  2.803657       1.170024  5.889105       2.868163  192.5634 43.91103 272.6581 72.91638 -80.09464      85.11743 
1 1 1 4  23 19 o 223.1665 46.16667 3.792621       1.409935  4.997340       1.589930  -0.6426653     3.050675  257.2773 45.32239 154.3744 68.83942 102.9029       82.41956 
1 1 1 4  23 21 o 295.3599 39.30176 6.526890       1.602060  7.111085       1.836073  4.663288       3.279349  306.7015 43.52203 237.3724 81.18930 69.32912       92.11878 
1 1 1 4  23 23 o 217.3011 52.71741 3.792097       1.604438  3.122411       1.836685  5.949182       3.296347  195.9202 60.32790 257.3379 81.06983 -61.41768      101.0533 
1 1 1 4  23 25 o 276.3064 62.55562 6.491033       2.388999  6.491033       2.388999  0.000000       0.000000  276.3064 62.55562 ?        ?        ?              ?        
1 1 1 4  23 27 o 152.8231 62.20946 1.531494       2.113936  -0.2517370     2.738679  4.160032       3.325022  138.6936 63.20958 206.1039 79.88293 -67.41034      101.8663 
1 1 1 4  23 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  23 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  24 0  o 233.3561 79.41000 5.068857       2.350660  5.068857       2.350660  5.068857       2.350660  233.3561 79.41000 233.3561 79.41000 -0.000000      0.000000 
1 1 1 4  24 2  o 245.5949 50.82941 4.513216       1.708402  4.079051       2.304375  5.043080       2.545702  232.7854 66.58958 257.4047 68.63148 -24.61926      95.62663 
1 1 1 4  24 4  o 228.5524 42.90818 3.873114       1.336904  4.440673       2.514100  3.649350       1.578598  242.2805 69.63248 220.2612 51.55871 22.01933       86.64285 
1 1 1 4  24 6  o 280.8755 31.42551 5.702864       1.227768  1.746155       2.325213  7.232510       1.445743  177.5620 67.30531 316.4589 32.75447 -138.8969      74.85225 
1 1 1 4  24 8  o 260.5044 21.30841 4.856872       0.7787139 5.397763       2.498228  4.798663       0.8195449 264.9930 66.67999 258.7436 22.60806 6.249420       70.40842 
1 1 1 4  24 10 o 352.9289 38.31760 9.064851       1.883162  8.901211       2.632810  9.236268       2.694655  344.4889 55.91958 350.9720 56.14272 -6.483154      79.24017 
1 1 1 4  24 12 o 136.6675 57.63330 0.2616485      1.905770  -2.371279      2.660829  3.035004       2.730866  127.0159 59.41783 209.6154 73.94952 -82.59949      94.86311 
1 1 1 4  24 14 o 136.1388 56.47481 0.4560083      1.785273  1.620281       2.399028  -0.9889197     2.672582  174.7089 67.81545 141.7774 63.73446 32.93153       93.06458 
1 1 1 4  24 16 o 135.5999 57.90217 0.1469245      1.964852  0.1465200      2.692380  0.1473854      2.873937  156.2818 67.27457 160.9201 69.39053 -4.638290      96.64839 
1 1 1 4  24 18 o 167.1634 48.13090 2.127683       1.200143  1.004024       1.307629  8.131982       3.022723  133.0344 50.46249 318.2159 69.10435 -185.1815      85.56795 
1 1 1 4  24 20 o 180.7134 53.49442 2.559659       1.464579  1.929637       1.653835  4.849464       3.152925  163.5665 57.56140 239.6313 79.60500 -76.06487      98.23579 
1 1 1 4  24 22 o 104.5399 47.48550 -0.6482292     1.529541  0.8907563E-01  1.760058  -2.922930      3.091474  124.2219 53.93311 128.4077 61.23948 -4.185707      81.60303 
1 1 1 4  24 24 o 130.5070 57.61732 0.1282985E-01  2.084569  0.1282985E-01  2.084569  0.000000       0.000000  130.5070 57.61732 ?        ?        ?              ?        
1 1 1 4  24 26 o 164.8021 70.16415 1.693851       2.870141  1.693851       2.870141  0.000000       0.000000  164.8021 70.16415 ?        ?        ?              ?        
1 1 1 4  24 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  24 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  25 1  o 119.9874 52.49864 -0.3033240     1.695352  0.1921650      2.336750  -0.8539982     2.463444  149.2139 63.41064 138.1689 61.71978 11.04498       88.48865 
1 1 1 4  25 3  o 165.5063 68.73351 0.6878709      2.648559  0.6878709      2.648559  0.000000       0.000000  165.5063 68.73351 ?        ?        ?              ?        
1 1 1 4  25 5  o 205.1080 46.51024 3.166701       1.318851  5.483057       2.647192  2.401932       1.521065  266.1983 69.52378 180.3231 54.78121 85.87523       88.51292 
1 1 1 4  25 7  o 108.7139 41.01749 0.6306233      0.8612533 0.4620993E-01  2.569790  0.7045722      0.9141201 153.1404 65.82122 113.1036 42.34590 40.03683       78.26627 
1 1 1 4  25 9  f 221.9405 24.56872 3.554538       0.7587760 2.981894       2.686514  3.604179       0.7909805 207.8373 73.34442 223.3412 25.48048 -15.50392      77.64444 
1 1 1 4  25 11 o 144.8107 58.33593 0.8082730      1.836932  1.366587       2.628767  0.2755021      2.567930  175.0902 70.04279 155.8651 66.36363 19.22511       96.48899 
1 1 1 4  25 13 o 256.2000 55.32890 5.036396       1.947322  8.252869       2.641567  1.207837       2.881969  328.3691 59.01241 177.1520 72.43826 151.2171       93.43321 
1 1 1 4  25 15 f 192.2682 65.28021 2.704649       2.119465  1.690491       2.900954  3.865819       3.104100  184.0308 73.59306 226.7285 78.92599 -42.69772      107.9132 
1 1 1 4  25 17 o 111.1041 52.20084 -1.893599      2.092047  -1.966736      2.993007  -1.823731      2.925355  137.6105 63.91852 137.1567 63.52922 0.4538422      90.11958 
1 1 1 4  25 19 o 168.6930 49.93715 2.219779       1.276262  3.362963       1.420268  -2.575451      2.908821  206.5284 49.28160 127.8033 60.50278 78.72506       78.03372 
1 1 1 4  25 21 o 139.8948 52.28554 1.293020       1.392381  0.4539876      1.556518  4.653711       3.115150  124.4060 52.25167 228.9435 79.10024 -104.5375      94.80024 
1 1 1 4  25 23 o 134.8904 59.23009 0.1910041      2.175266  1.656013       3.210874  -1.051769      2.957325  174.3255 74.21522 138.4537 64.04073 35.87175       98.02608 
1 1 1 4  25 25 o 164.0470 77.84951 -0.8472143     4.872607  -0.8472143     4.872607  0.000000       0.000000  164.0470 77.84951 ?        ?        ?              ?        
1 1 1 4  25 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  25 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  26 0  o 96.52480 65.42577 -1.242246      2.664243  -1.242246      2.664243  -1.242246      2.664243  96.52480 65.42577 96.52480 65.42577 0.000000       0.000000 
1 1 1 4  26 2  o 213.1373 71.99920 3.281995       2.578019  3.281995       2.578019  0.000000       0.000000  213.1373 71.99920 ?        ?        ?              ?        
1 1 1 4  26 4  o 193.5810 64.09309 2.706229       2.044327  2.905046       2.929072  2.517395       2.854596  209.3907 76.25675 200.8280 74.90322 8.562637       106.8905 
1 1 1 4  26 6  o 106.6024 46.64986 -0.2398313     1.339126  0.8320789      2.973087  -0.5126406     1.499885  174.3851 72.65466 108.4206 48.31328 65.96445       87.25179 
1 1 1 4  26 8  o 98.16464 40.29255 0.2509324      0.8959369 0.1794782      2.577549  0.2607519      0.9555176 154.5421 66.16249 101.1098 41.56786 53.43233       78.13682 
1 1 1 4  26 10 o 120.9968 34.95673 1.079316       0.6320587 5.375093       2.748344  0.8394249      0.6494672 260.7357 72.07530 109.9268 36.11351 150.8089       80.61659 
1 1 1 4  26 12 o 178.9348 62.57637 2.236054       1.952534  4.017278       2.606124  -0.4309865E-01 2.947967  227.5313 72.13626 159.8697 69.60061 67.66161       100.2391 
1 1 1 4  26 14 o 111.1754 52.03490 -1.772967      2.045126  -2.814989      2.688972  -0.3430912     3.149902  121.9320 57.85443 159.7120 70.65395 -37.77994      91.31876 
1 1 1 4  26 16 o 249.4086 60.64351 5.005301       2.119498  7.276500       2.985285  2.696784       3.009711  295.5690 72.03572 198.6348 76.26110 96.93419       104.9042 
1 1 1 4  26 18 o 152.4179 63.10876 0.9946179      2.223492  4.290675       3.246016  -1.919080      3.051937  224.8429 80.48938 136.3719 63.74249 88.47098       102.6725 
1 1 1 4  26 20 o 121.9937 48.60443 0.7518996      1.260697  1.606724       1.404043  -2.804899      2.863990  148.3497 52.95558 122.3888 58.52612 25.96082       78.92781 
1 1 1 4  26 22 o 112.2131 52.44640 -1.306573      2.065460  -1.444146      2.924302  -1.169620      2.917712  133.1702 62.29465 135.5875 63.02335 -2.417297      88.61471 
1 1 1 4  26 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  26 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  26 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  27 1  o 216.1488 76.13393 3.316128       2.893723  3.316128       2.893723  0.000000       0.000000  216.1488 76.13393 ?        ?        ?              ?        
1 1 1 4  27 3  o 175.5678 64.17752 1.973028       2.077440  0.2575826      2.742778  4.281500       3.181739  159.8059 68.32911 238.1210 79.98503 -78.31509      105.1973 
1 1 1 4  27 5  o 103.9184 49.17405 -2.095735      1.917517  -2.811715      2.886610  -1.530279      2.565295  129.1255 60.86904 131.9705 60.53347 -2.845016      85.84486 
1 1 1 4  27 7  o 136.6292 46.39463 1.283716       1.070533  -2.087015      2.688464  1.918889       1.167047  129.6831 60.35263 160.3704 47.82222 -30.68724      77.00263 
1 1 1 4  27 9  o 143.7704 42.44606 1.537194       0.9230857 2.007804       3.139973  1.492674       0.9657608 193.8832 76.88169 142.4368 43.72513 51.44638       88.44592 
1 1 1 4  27 11 o 110.7648 52.16003 -2.031800      2.109870  -0.7542097     2.843159  -3.597674      3.147631  147.3203 66.02018 128.8715 61.55230 18.44879       90.26267 
1 1 1 4  27 13 o 113.8985 52.80176 -1.426417      2.027371  2.063316       2.665312  -6.217757      3.123061  183.6190 71.42245 110.6778 54.67584 72.94113       89.94785 
1 1 1 4  27 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  27 17 o 134.8557 59.37782 -0.1216181E-01 2.199982  -1.452938      2.963743  1.755970       3.283216  137.5092 63.77987 181.4157 76.02202 -43.90651      99.23315 
1 1 1 4  27 19 o 169.3952 64.59943 2.111624       2.150026  -3.037282      3.025449  7.364947       3.055972  123.8704 59.47752 283.5895 75.00460 -159.7191      95.72495 
1 1 1 4  27 21 o 206.5138 65.08400 3.828989       2.124334  6.503908       3.193367  1.705544       2.845208  255.2841 79.70377 167.2783 70.47421 88.00587       106.3922 
1 1 1 4  27 23 o 159.5190 63.56825 2.048306       2.156887  3.444953       3.257827  0.9583677      2.877966  187.7123 76.91676 151.2179 67.18146 36.49440       102.1251 
1 1 1 4  27 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  27 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  28 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  28 2  o 132.0112 58.74423 -0.5757557     2.209596  -0.5772966     3.047808  -0.5740485     3.208025  155.6876 69.15310 159.7391 70.95036 -4.051514      99.07626 
1 1 1 4  28 4  o 105.2972 50.54860 -2.911026      2.182608  -5.055410      3.008553  -0.5284938     3.171216  115.3985 56.31852 159.1468 70.62276 -43.74827      90.32912 
1 1 1 4  28 6  o 101.0418 48.85933 -3.175715      2.129054  -3.592017      3.055371  -2.782779      2.968386  126.6113 60.51938 130.7007 61.64632 -4.089386      86.38786 
1 1 1 4  28 8  o 163.1304 47.26034 2.021327       1.153811  4.598390       3.187390  1.632709       1.237754  239.8585 80.04826 150.4752 49.87341 89.38327       94.31374 
1 1 1 4  28 10 f 116.8637 42.30220 0.8630422      0.8995163 6.517290       3.087221  0.3384924      0.9403155 279.1826 76.07869 101.7206 41.45921 177.4620       86.64198 
1 1 1 4  28 12 o 182.3425 66.83796 2.393994       2.255625  0.8608174E-01  2.988991  5.446938       3.437750  157.8525 69.36760 250.9564 83.11471 -93.10393      108.2586 
1 1 1 4  28 14 o 185.0339 64.74925 2.684413       2.090684  3.954716       2.829704  1.157451       3.102426  216.4709 75.35674 171.4046 72.96073 45.06631       104.8900 
1 1 1 4  28 16 o 111.8544 52.49635 -1.582991      2.105885  -2.672862      2.921837  -0.4048212     3.037894  124.7753 59.51506 148.6141 67.27290 -23.83880      89.82030 
1 1 1 4  28 18 f 137.5013 60.03263 0.3466887      2.206507  3.075286       3.033416  -2.719277      3.215481  193.1467 75.88264 129.5734 61.97581 63.57330       97.97538 
1 1 1 4  28 20 o 91.74905 44.96443 -3.138275      1.978105  -1.517821      2.967858  -4.433537      2.653405  131.0542 61.76026 102.6099 50.63546 28.44431       79.86413 
1 1 1 4  28 22 o 163.2677 63.21947 2.350733       2.081010  1.046654       3.111993  3.405563       2.798838  152.9819 68.77269 184.0326 72.70859 -31.05063      100.0811 
1 1 1 4  28 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  28 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  29 1  o 203.8815 82.59119 2.251901       3.704968  0.000000       0.000000  2.251901       3.704968  ?        ?        203.8815 82.59119 ?              ?        
1 1 1 4  29 3  o 144.9503 63.43787 -0.1098131     2.476961  0.1008775      3.348381  -0.3644578     3.681116  168.6874 73.79367 170.5331 75.85825 -1.845642      105.8300 
1 1 1 4  29 5  o 151.2751 64.85654 0.3453200      2.483330  -2.812479      3.401264  3.950485       3.634216  140.6110 66.21838 228.3015 84.63632 -87.69049      107.4625 
1 1 1 4  29 7  o 144.5088 54.19526 1.294517       1.498598  5.115776       3.255885  0.2673749      1.688034  246.7918 80.84647 126.9973 53.92916 119.7945       97.18285 
1 1 1 4  29 9  o 87.92792 39.96209 -0.5538744     1.085140  3.970096       3.127893  -1.172859      1.156997  221.0217 79.02399 81.68125 38.51390 139.3405       87.90968 
1 1 1 4  29 11 o 93.38435 38.06610 0.2986480      0.7928137 1.524506       3.022624  0.2080809      0.8215786 175.4470 73.18970 92.01419 38.25291 83.43283       82.58340 
1 1 1 4  29 13 o 170.0719 64.88954 2.072290       2.170066  2.739048       2.960893  1.298480       3.189744  191.1411 75.00745 172.2337 73.66582 18.90746       105.1322 
1 1 1 4  29 15 o 101.6545 48.67470 -2.184538      1.995091  -3.234642      2.805262  -1.109786      2.837993  116.5003 56.27325 135.3813 62.66022 -18.88103      84.21984 
1 1 1 4  29 17 o 180.0469 64.76453 2.753599       2.104385  -1.239159      2.910899  7.124956       3.045781  133.7049 62.41572 271.5701 76.17681 -137.8652      98.48162 
1 1 1 4  29 19 o 123.2773 55.54441 -0.1190249     2.042976  -0.4611973     3.007625  0.1741044      2.783754  139.6526 64.59096 142.3074 64.40982 -2.654831      91.21741 
1 1 1 4  29 21 o 97.65886 47.29802 -2.182761      2.015114  -4.032101      3.204680  -0.9733511     2.591572  113.1139 55.78652 122.2135 57.63027 -9.099579      80.20837 
1 1 1 4  29 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  29 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  30 0  o 102.6906 71.29558 -2.530543      3.628437  -2.530543      3.628437  -2.530543      3.628437  102.6906 71.29558 102.6906 71.29558 0.000000       0.000000 
1 1 1 4  30 2  o 317.5463 84.63668 8.963629       3.872353  0.000000       0.000000  8.963629       3.872353  ?        ?        317.5463 84.63668 ?              ?        
1 1 1 4  30 4  o 142.9565 62.97780 -0.7135415E-01 2.477871  2.108113       3.423766  -2.468490      3.590667  191.9310 78.77128 145.3473 68.32045 46.58362       104.2718 
1 1 1 4  30 6  o 110.5034 54.69656 -6.205671      3.180815  -6.205671      3.180815  0.000000       0.000000  110.5034 54.69656 ?        ?        ?              ?        
1 1 1 4  30 8  o 112.2987 49.56123 -0.1782114     1.541109  7.287021       3.278646  -2.295358      1.746017  283.5711 78.84998 92.98486 44.78466 190.5862       90.68068 
1 1 1 4  30 10 o 71.34895 34.24997 -1.328426      1.001765  4.020345       3.187594  -1.914594      1.055230  214.4383 79.30767 67.29910 32.95261 147.1392       85.88120 
1 1 1 4  30 12 o 188.3367 66.39011 2.978394       2.200752  2.060880       2.930507  4.165129       3.332831  176.9395 72.77521 214.2360 80.71947 -37.29652      108.6824 
1 1 1 4  30 14 o 103.9885 49.45005 -1.824975      1.986136  0.3693613      2.635761  -4.707929      3.021158  145.8936 64.58158 111.2390 54.72676 34.65464       84.65104 
1 1 1 4  30 16 o 88.66745 43.81699 -3.707682      2.011607  -1.115941      2.822168  -6.384418      2.868071  131.1385 61.29622 97.75494 48.94602 33.38351       78.44068 
1 1 1 4  30 18 o 173.0217 63.42956 2.764261       2.031541  4.061740       2.984277  1.643695       2.773369  196.0200 75.75922 157.4154 68.02369 38.60452       101.8169 
1 1 1 4  30 20 o 113.9106 52.40275 -0.3022265     1.941893  -2.976529      2.976673  1.679186       2.562202  113.4100 55.49156 150.3419 65.17421 -36.93189      85.59784 
1 1 1 4  30 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  30 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  31 1  o 138.8715 63.09189 -0.6593853     2.701706  0.4806604      3.757543  -1.879553      3.887340  172.2303 76.62574 153.0024 71.65317 19.22789       104.9080 
1 1 1 4  31 3  o 206.0234 84.27364 3.191057       3.902357  0.000000       0.000000  3.191057       3.902357  ?        ?        206.0234 84.27364 ?              ?        
1 1 1 4  31 5  o 117.4261 55.28465 -1.788287      2.367876  0.3328380      3.068040  -4.913006      3.723775  157.2065 69.62856 128.2721 62.61323 28.93443       93.64055 
1 1 1 4  31 7  o 107.6732 49.55169 -0.8713878     1.738591  2.704270       3.048794  -2.594500      2.116445  188.9180 75.47942 102.0391 49.18613 86.87888       90.09117 
1 1 1 4  31 9  o 90.39957 42.22078 -1.009355      1.334624  -5.657098      2.907431  0.2314642      1.502252  103.8955 51.57679 116.7335 50.25118 -12.83801      72.00935 
1 1 1 4  31 11 f 165.2322 40.76939 2.178952       0.9473984 -0.7294099     2.987118  2.504228       0.9989738 140.2558 64.69214 177.3472 40.67066 -37.09134      76.41450 
1 1 1 4  31 13 o 178.6452 65.37624 2.782046       2.156691  3.296775       2.865390  2.109366       3.275658  190.4742 74.06432 174.8069 74.70592 15.66736       105.1974 
1 1 1 4  31 15 o 118.9126 53.97978 -0.2528829     1.972670  2.582825       2.578698  -4.253586      3.062936  172.4095 69.23484 111.6233 54.95252 60.78622       88.39255 
1 1 1 4  31 17 o 113.1970 52.34562 -0.4922055     1.974042  0.3579843      2.661804  -1.531315      2.942719  136.4759 62.24398 123.7878 59.23022 12.68807       85.92166 
1 1 1 4  31 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  31 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  31 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  32 0  o 132.9443 84.74582 1.354685       3.523269  1.354685       3.523269  1.354685       3.523269  132.9443 84.74582 132.9443 84.74582 -0.000000      0.000000 
1 1 1 4  32 2  o 154.3262 65.43602 1.114065       2.478912  -0.1677579     3.252944  2.889463       3.828340  152.2588 69.19587 195.0219 81.93073 -42.76305      107.2414 
1 1 1 4  32 4  f 220.7850 88.19957 4.800794       4.162412  0.000000       0.000000  4.800794       4.162412  ?        ?        220.7850 88.19957 ?              ?        
1 1 1 4  32 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  32 8  o 133.5243 55.18420 0.9067639      1.695870  -1.179259      2.902706  1.987781       2.089584  133.0600 62.18467 161.8495 63.15856 -28.78954      88.63372 
1 1 1 4  32 10 o 95.34263 41.72197 -0.8552123E-02 1.071117  0.8719462      3.187626  -0.1206252     1.137244  157.5620 70.30715 95.67863 42.38382 61.88335       82.09436 
1 1 1 4  32 12 o 137.1748 59.42203 0.7857419      2.126683  1.551727       2.752245  -0.3493493     3.350367  157.5544 67.92212 144.8007 67.38326 12.75366       95.67610 
1 1 1 4  32 14 o 98.07645 47.34540 -2.024318      1.978432  -3.037005      2.605697  -0.6458093     3.040123  106.5549 52.09077 133.4445 62.76909 -26.88963      81.56842 
1 1 1 4  32 16 o 133.5097 58.13042 1.039455       2.056816  1.818998       2.711249  -0.1742062E-01 3.156902  151.1538 66.25577 136.2541 64.05083 14.89964       92.15387 
1 1 1 4  32 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  32 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  32 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  33 1  o 128.8637 59.30258 -0.6031745     2.490001  -1.000303      3.435442  -0.1636590     3.614136  143.6793 67.31042 153.7546 71.00402 -10.07538      97.83794 
1 1 1 4  33 3  o 133.7717 60.67066 -0.1387982     2.485208  -1.112346      3.174770  1.401821       3.993752  137.6935 64.57027 172.4217 77.67609 -34.72823      101.0094 
1 1 1 4  33 5  f 144.1080 68.85777 -1.898829      3.947691  0.000000       0.000000  -1.898829      3.947691  ?        ?        144.1080 68.85777 ?              ?        
1 1 1 4  33 7  o 228.8697 67.18392 5.062374       2.318163  0.000000       0.000000  5.062374       2.318163  ?        ?        228.8697 67.18392 ?              ?        
1 1 1 4  33 9  o 128.4179 51.57822 1.065208       1.431414  1.648987       2.767138  0.8519219      1.672585  157.3403 67.96909 128.5787 54.09421 28.76154       86.86761 
1 1 1 4  33 11 o 123.6295 56.28739 0.5943009E-02  2.164768  -1.095835      2.774829  1.719317       3.460312  124.3015 58.91794 159.9651 72.16212 -35.66364      93.15951 
1 1 1 4  33 13 o 213.0022 66.39441 4.884510       2.216881  3.516157       2.957231  6.640047       3.349587  175.1400 72.67214 221.8251 81.42610 -46.68510      109.1396 
1 1 1 4  33 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  33 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  33 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  34 0  o 106.1965 73.36089 -1.109736      3.721774  -1.109736      3.721774  -1.109736      3.721774  106.1965 73.36089 106.1965 73.36089 -0.000000      0.000000 
1 1 1 4  34 2  o 172.0622 68.28632 2.754426       2.479094  2.790735       3.280733  2.706097       3.785034  175.1163 74.79899 176.1481 77.70857 -1.031769      107.8588 
1 1 1 4  34 4  o 135.1737 60.87445 0.4105737      2.450424  1.915570       3.137888  -1.941699      3.922957  161.9741 71.13001 138.0368 66.64404 23.93729       97.47260 
1 1 1 4  34 6  f 117.0340 53.79863 -0.3080812     2.041317  0.000000       0.000000  -0.3080812     2.041317  ?        ?        117.0340 53.79863 ?              ?        
1 1 1 4  34 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  34 10 o 161.1041 63.39132 2.666753       2.119766  2.272240       2.704726  3.294899       3.412889  154.9498 67.06750 168.5860 74.10259 -13.63617      99.94621 
1 1 1 4  34 12 o 126.7492 56.41568 0.8089157      2.039099  3.766788       2.629478  -3.653196      3.229610  175.6465 70.12373 110.3015 54.68797 65.34495       88.92757 
1 1 1 4  34 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  34 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  34 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  35 1  o 145.5275 64.15836 1.573500       2.576150  1.862918       3.474282  1.220037       3.839486  154.6098 70.74121 151.2032 70.93849 3.406586       100.1828 
1 1 1 4  35 3  o 130.9089 59.70127 0.5639176      2.448281  -0.6620951     3.121457  2.523907       3.946724  128.6954 61.42073 161.2973 74.38423 -32.60185      96.46512 
1 1 1 4  35 5  o 131.7644 59.27769 0.8692417      2.316758  -2.252057      2.861503  6.808323       3.947174  112.4018 54.87101 204.8410 84.37770 -92.43919      100.6500 
1 1 1 4  35 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  35 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  35 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  35 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  35 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  36 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  37 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  37 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  37 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  37 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  37 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  37 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  38 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  38 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  38 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4  38 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  0  1  o 1505.506 15.09225 160.4634       3.214830  160.4634       3.214830  160.4634       3.214830  1505.506 15.09225 1505.506 15.09225 -0.000000      0.000000 
1 1 1 5  0  3  f 885.4470 12.16741 55.51619       1.524038  55.51619       1.524038  55.51619       1.524038  885.4470 12.16741 885.4470 12.16741 0.000000       0.000000 
1 1 1 5  0  5  o 3670.473 30.80005 954.3389       15.99648  954.3389       15.99648  954.3389       15.99648  3670.473 30.80005 3670.473 30.80005 0.000000       0.000000 
1 1 1 5  0  7  o 5452.695 63.48961 2112.500       48.97799  2112.500       48.97799  2112.500       48.97799  5452.695 63.48961 5452.695 63.48961 0.000000       0.000000 
1 1 1 5  0  9  o 1524.672 23.73840 164.7053       5.119298  164.7053       5.119298  164.7053       5.119298  1524.672 23.73840 1524.672 23.73840 0.000000       0.000000 
1 1 1 5  0  11 o 1411.526 23.69178 141.1989       4.729667  141.1989       4.729667  141.1989       4.729667  1411.526 23.69178 1411.526 23.69178 -0.000000      0.000000 
1 1 1 5  0  13 f 1080.454 23.10637 82.78976       3.529469  82.78976       3.529469  82.78976       3.529469  1080.454 23.10637 1080.454 23.10637 -0.000000      0.000000 
1 1 1 5  0  15 o 1792.815 28.19470 228.0551       7.149580  228.0551       7.149580  228.0551       7.149580  1792.815 28.19470 1792.815 28.19470 0.000000       0.000000 
1 1 1 5  0  17 o 642.0453 27.27244 29.40421       2.467852  29.40421       2.467852  29.40421       2.467852  642.0453 27.27244 642.0453 27.27244 -0.000000      0.000000 
1 1 1 5  0  19 o 1522.175 43.29365 165.5906       9.309218  165.5906       9.309218  165.5906       9.309218  1522.175 43.29365 1522.175 43.29365 0.000000       0.000000 
1 1 1 5  0  21 o 1164.699 28.77696 96.39027       4.736733  96.39027       4.736733  96.39027       4.736733  1164.699 28.77696 1164.699 28.77696 -0.000000      0.000000 
1 1 1 5  0  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  0  25 o 79.48088 55.24477 -1.933665      2.195000  -1.933665      2.195000  -1.933665      2.195000  79.48088 55.24477 79.48088 55.24477 0.000000       0.000000 
1 1 1 5  0  27 o 720.2343 37.86527 37.22635       3.835028  37.22635       3.835028  37.22635       3.835028  720.2343 37.86527 720.2343 37.86527 -0.000000      0.000000 
1 1 1 5  0  29 f 298.3913 90.31667 8.020470       3.326588  8.020470       3.326588  8.020470       3.326588  298.3913 90.31667 298.3913 90.31667 -0.000000      0.000000 
1 1 1 5  0  31 o 145.1354 87.70329 1.734867       3.302123  1.734867       3.302123  1.734867       3.302123  145.1354 87.70329 145.1354 87.70329 -0.000000      0.000000 
1 1 1 5  0  33 o 679.3157 64.34145 35.12924       6.050397  35.12924       6.050397  35.12924       6.050397  679.3157 64.34145 679.3157 64.34145 0.000000       0.000000 
1 1 1 5  0  35 o 785.4342 59.18912 46.97247       6.491196  46.97247       6.491196  46.97247       6.491196  785.4342 59.18912 785.4342 59.18912 0.000000       0.000000 
1 1 1 5  0  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  0  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  1  0  o 1498.489 15.06185 158.9712       3.193395  158.9712       3.193395  158.9712       3.193395  1498.489 15.06185 1498.489 15.06185 0.000000       0.000000 
1 1 1 5  1  2  f 1114.245 9.834656 87.86750       1.550814  86.63958       2.018740  89.63557       2.422392  1106.362 12.89328 1125.261 15.21148 -18.89929      19.94056 
1 1 1 5  1  4  o 1102.069 9.332002 85.95612       1.455471  85.51920       2.056286  86.39480       2.060413  1099.176 13.21894 1104.790 13.17815 -5.613770      18.66558 
1 1 1 5  1  6  o 1241.149 10.78809 109.0262       1.894909  110.2852       2.907472  108.0965       2.498414  1248.118 16.46040 1235.747 14.28614 12.37085       21.79538 
1 1 1 5  1  8  o 1776.119 17.82936 223.3571       4.481542  226.5082       5.233510  214.6941       8.677574  1788.414 20.67784 1739.785 35.24382 48.62878       40.86196 
1 1 1 5  1  10 o 2023.563 19.91605 290.0039       5.703479  295.2278       8.190486  285.0861       7.946903  2040.789 28.35906 2005.475 28.00019 35.31409       39.85281 
1 1 1 5  1  12 o 1258.780 16.44968 112.2064       2.930402  111.7803       4.120882  112.6423       4.167948  1255.920 23.18508 1260.739 23.36024 -4.819214      32.91275 
1 1 1 5  1  14 o 1108.276 16.89512 87.01459       2.649896  88.63289       3.762389  85.42162       3.732824  1117.895 23.78170 1097.430 24.03483 20.46521       33.81187 
1 1 1 5  1  16 o 458.5460 21.75231 14.95572       1.407564  13.77539       1.961617  16.20846       2.020898  438.7038 31.81145 476.3148 30.13440 -37.61096      43.81838 
1 1 1 5  1  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  1  20 o 429.1575 26.52427 13.14663       1.603070  12.61664       2.322994  13.62850       2.215024  418.1010 39.73683 435.3675 36.27976 -17.26648      53.80740 
1 1 1 5  1  22 o 818.8170 21.16506 47.57666       2.450541  49.42756       3.538344  45.87054       3.397142  833.4180 30.04892 802.8451 29.95189 30.57294       42.42704 
1 1 1 5  1  24 o 390.5703 32.56520 10.92692       1.783636  9.526938       2.488067  12.40704       2.558284  361.3317 49.99395 414.3631 44.31344 -53.03143      66.80626 
1 1 1 5  1  26 o 871.1146 23.64172 53.96032       2.911873  53.39636       4.040386  54.56981       4.200286  864.5190 33.08497 873.7385 34.03369 -9.219482      47.46480 
1 1 1 5  1  28 o 130.7717 56.80645 -0.2249262     1.954699  -2.220599      2.807754  1.651974       2.722920  133.8961 62.09527 184.2493 72.04005 -50.35327      95.10831 
1 1 1 5  1  30 o 374.2315 47.78955 10.35904       2.473333  9.482733       3.525149  11.20868       3.471118  348.0264 73.86073 382.2822 66.57811 -34.25580      99.43867 
1 1 1 5  1  32 o 425.9056 49.43647 13.65177       2.924462  14.61864       3.623403  11.84494       4.953276  434.7307 60.53443 368.9326 94.46970 65.79803       112.2005 
1 1 1 5  1  34 o 339.9579 76.62925 9.835488       3.598253  16.77920       5.564484  4.845320       4.717226  429.9989 94.06331 244.2043 95.00937 185.7946       133.6962 
1 1 1 5  1  36 o 241.6068 81.73372 5.520841       3.322294  8.833179       4.893960  2.689603       4.524612  285.4793 99.11816 202.7460 87.24300 82.73329       132.0445 
1 1 1 5  1  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  2  1  f 291.9609 10.10430 6.040044       0.4168651 5.679040       0.5836709 6.415932       0.5955821 282.8641 14.63014 300.7356 14.03253 -17.87146      20.27198 
1 1 1 5  2  3  o 626.3866 8.926186 27.76760       0.7912763 26.13639       1.182186  29.09151       1.065029  607.6486 13.74718 641.1111 11.73838 -33.46246      18.07690 
1 1 1 5  2  5  o 3518.070 20.95522 876.4949       10.43318  871.2863       14.66264  881.8365       14.84860  3506.202 29.54985 3527.329 29.74539 -21.12695      41.92830 
1 1 1 5  2  7  o 2849.887 18.93554 575.0884       7.637042  575.8232       11.60788  574.5275       10.14095  2850.464 28.77516 2847.771 25.16251 2.693604       38.22514 
1 1 1 5  2  9  o 2484.754 22.74866 437.3448       7.999431  428.6859       11.09310  446.7258       11.54631  2458.759 31.87992 2509.855 32.50685 -51.09619      45.53048 
1 1 1 5  2  11 o 1540.225 20.04967 168.0332       4.370301  171.4142       5.465334  162.0374       7.278020  1555.227 24.83151 1511.068 34.03371 44.15845       42.12954 
1 1 1 5  2  13 o 212.8456 34.07007 3.297975       0.9916605 3.461854       1.450930  3.154317       1.358471  216.1068 48.62119 206.2752 47.51491 9.831589       67.98299 
1 1 1 5  2  15 o 611.5260 18.25933 26.53056       1.578458  28.32060       2.296328  24.92718       2.173302  631.0455 25.76723 591.9377 26.00672 39.10779       36.61010 
1 1 1 5  2  17 f 989.9703 24.96482 69.71073       3.494813  69.08904       5.053903  70.28045       4.837988  982.6700 36.40414 991.6643 34.52577 -8.994324      50.17260 
1 1 1 5  2  19 o 2278.983 34.20099 370.9916       11.03061  365.2515       15.24074  377.3062       15.98515  2251.209 47.83769 2286.681 49.39594 -35.47168      68.76339 
1 1 1 5  2  21 o 595.3118 22.93327 25.18816       1.928489  25.00630       2.743822  25.36570       2.711064  591.7789 32.89187 596.1317 32.25509 -4.352844      46.06806 
1 1 1 5  2  23 o 1266.260 21.29720 113.6970       3.816500  115.9913       5.334193  111.2908       5.462798  1277.740 29.49894 1251.347 30.84733 26.39319       42.68191 
1 1 1 5  2  25 o 1718.616 23.20600 209.7179       5.644155  210.8211       8.002570  208.6260       7.961668  1720.171 32.87291 1711.191 32.87653 8.980103       46.49187 
1 1 1 5  2  27 o 1316.508 23.18360 123.1976       4.319408  121.5594       6.030317  124.9237       6.189943  1304.421 32.69227 1322.198 33.10639 -17.77783      46.52760 
1 1 1 5  2  29 o 858.8998 27.33831 52.68301       3.318796  54.21131       4.558246  50.95885       4.841527  867.9225 37.19678 839.9835 40.85037 27.93903       55.24810 
1 1 1 5  2  31 o 296.1593 67.41272 6.922955       2.761785  10.09613       3.644506  2.642958       4.232661  355.5105 74.81045 220.7293 88.67980 134.7813       116.0203 
1 1 1 5  2  33 o 268.7378 73.61472 6.008704       2.881783  4.748924       3.561233  8.398555       4.904994  241.2444 84.50027 303.7126 99.21471 -62.46817      130.3221 
1 1 1 5  2  35 o 417.1774 67.77245 14.48778       3.864034  8.594138       5.377064  20.78132       5.556492  289.5251 103.6001 482.3205 84.48090 -192.7954      133.6787 
1 1 1 5  2  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  2  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  3  0  f 897.0918 13.79290 56.99640       1.750172  56.99640       1.750172  56.99640       1.750172  897.0918 13.79290 897.0918 13.79290 -0.000000      0.000000 
1 1 1 5  3  2  o 2498.410 16.57314 441.9135       5.859877  441.1758       8.914079  442.4748       7.776204  2495.491 25.24066 2499.516 21.98325 -4.025146      33.47169 
1 1 1 5  3  4  o 2921.845 17.76343 604.4452       7.345204  598.2913       10.27256  610.8829       10.50677  2906.108 24.97740 2936.488 25.28257 -30.38013      35.53982 
1 1 1 5  3  6  o 2917.561 17.97483 602.6836       7.421718  609.9529       10.68351  595.9034       10.31783  2934.184 25.72806 2900.275 25.13791 33.90918       35.97009 
1 1 1 5  3  8  o 2630.928 21.04504 490.2209       7.835715  497.9152       10.24447  479.3735       12.16383  2650.694 27.30928 2599.972 33.05840 50.72217       42.87954 
1 1 1 5  3  10 o 1449.371 19.28886 148.7726       3.956453  162.9450       7.336555  142.9608       4.698167  1515.438 34.20852 1420.493 23.37058 94.94470       41.42954 
1 1 1 5  3  12 o 1447.049 19.74507 148.3409       4.043540  147.7432       4.986084  149.4892       6.910921  1443.689 24.40429 1451.035 33.65413 -7.346313      41.57126 
1 1 1 5  3  14 o 397.3676 21.95587 11.23091       1.229904  11.26866       1.685611  11.18793       1.798575  397.1265 30.21911 395.4026 32.42635 1.723907       44.32452 
1 1 1 5  3  16 o 488.0496 20.81606 16.93314       1.434445  17.43270       2.025132  16.43013       2.032108  494.1326 29.08809 479.5097 30.09717 14.62289       41.85638 
1 1 1 5  3  18 o 880.3811 21.76121 55.05494       2.711275  52.85419       4.514961  56.29615       3.390713  858.6638 37.24304 888.9346 26.98389 -30.27081      45.99102 
1 1 1 5  3  20 o 663.6600 21.14340 31.29251       1.983288  33.28406       2.880849  29.49821       2.734458  683.1224 29.87124 642.9761 30.13467 40.14636       42.43100 
1 1 1 5  3  22 o 1230.811 23.16181 107.4698       4.034444  112.3080       5.123542  99.57416       6.545163  1257.333 28.79388 1181.281 39.20572 76.05151       48.64336 
1 1 1 5  3  24 o 942.7458 22.05653 63.05316       2.942739  65.06493       4.228158  61.16316       4.098207  955.9086 31.29687 926.7738 31.29130 29.13477       44.25652 
1 1 1 5  3  26 o 1119.362 23.01920 89.02237       3.646536  88.14045       5.128924  89.92386       5.185503  1111.054 32.65448 1122.238 32.68504 -11.18396      46.20202 
1 1 1 5  3  28 o 896.0822 25.18204 57.21022       3.190272  55.62737       4.461226  58.86683       4.563980  880.4829 35.87765 905.8688 35.67043 -25.38593      50.59235 
1 1 1 5  3  30 o 543.2311 40.55132 21.46659       3.095029  22.20919       3.858527  20.12669       5.182970  548.6729 50.24959 510.3239 73.91459 38.34897       89.37778 
1 1 1 5  3  32 o 493.0362 44.85447 18.08780       3.095486  19.60476       3.917201  15.56533       5.051283  507.0767 55.49116 430.5061 85.92118 76.57059       102.2825 
1 1 1 5  3  34 o 492.5812 45.07280 18.32841       3.107257  18.48591       3.918746  18.06169       5.099516  484.7914 58.28559 458.5333 81.57475 26.25812       100.2579 
1 1 1 5  3  36 o 245.1999 82.39718 5.774382       3.376515  9.954532       5.156236  2.636127       4.467669  297.9830 101.8085 200.6812 86.52641 97.30179       133.6106 
1 1 1 5  3  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  4  1  o 2095.865 14.36999 310.9443       4.262257  312.8123       5.672466  308.5221       6.459396  2101.845 19.07003 2087.160 21.86837 14.68481       29.01537 
1 1 1 5  4  3  o 1387.223 10.32486 136.1972       2.026984  136.6665       2.868351  135.7290       2.864828  1389.475 14.58686 1384.699 14.61919 4.775391       20.65181 
1 1 1 5  4  5  o 1986.354 13.15714 279.2819       3.698604  283.0192       5.296693  275.7254       5.166951  1999.271 18.72032 1973.355 18.50160 25.91541       26.32033 
1 1 1 5  4  7  o 370.2285 11.57341 9.711069       0.6056437 10.18909       0.9124192 9.334568       0.8097602 378.9751 17.05605 362.7728 15.81052 16.20230       23.25685 
1 1 1 5  4  9  o 607.3871 12.74709 26.11419       1.095712  25.63722       1.382705  26.91928       1.796400  601.5278 16.25745 616.1557 20.63031 -14.62793      26.26622 
1 1 1 5  4  11 o 893.5569 15.39722 56.53448       1.947082  55.06353       2.712775  58.09742       2.796305  881.5740 21.74378 905.5308 21.82034 -23.95679      30.80454 
1 1 1 5  4  13 o 617.0939 17.15974 26.99642       1.497131  27.64322       2.169145  26.40800       2.068935  623.8370 24.61791 609.7744 24.02197 14.06262       34.39617 
1 1 1 5  4  15 o 183.0654 45.69083 2.493060       1.179925  2.069670       1.471926  3.254292       1.973668  170.9022 54.21607 210.3647 62.05525 -39.46252      82.40289 
1 1 1 5  4  17 o 489.7316 28.30497 17.13300       1.953378  18.05674       2.970305  16.42905       2.592969  499.9428 42.38075 477.5539 38.69803 22.38895       57.39046 
1 1 1 5  4  19 o 572.3311 33.09115 23.45448       2.668845  27.27464       3.923073  20.16339       3.641292  614.2660 45.45037 526.5795 49.44039 87.68652       67.15720 
1 1 1 5  4  21 o 1509.184 20.76063 161.5382       4.434072  161.9033       6.271434  161.1733       6.270013  1509.152 29.36393 1505.732 29.42396 3.420044       41.56933 
1 1 1 5  4  23 o 2167.696 24.64312 333.4566       7.559860  335.4767       10.65208  331.4064       10.73086  2171.193 34.66701 2157.813 35.13995 13.38037       49.36211 
1 1 1 5  4  25 o 2223.951 25.93007 351.5679       8.161099  365.5250       11.90391  339.1899       11.21036  2262.269 37.18141 2179.701 36.34150 82.56763       51.99194 
1 1 1 5  4  27 o 225.2636 57.17006 3.832550       1.825324  3.766349       2.539448  3.903314       2.625498  226.1752 71.14307 230.0304 72.33599 -3.855240      101.4585 
1 1 1 5  4  29 o 844.3092 31.15066 51.07638       3.715724  53.42859       4.705414  47.17971       6.056284  860.6653 38.73093 801.6448 53.69279 59.02045       66.20423 
1 1 1 5  4  31 f 526.4193 41.54078 20.34390       3.069691  23.08253       3.964114  16.24196       4.851478  556.0287 50.94213 449.3397 79.18409 106.6890       94.15530 
1 1 1 5  4  33 o 288.2908 70.69241 6.872157       2.861728  11.11446       3.672599  0.3151472      4.565890  366.9773 73.28260 191.8923 84.96886 175.0850       112.2054 
1 1 1 5  4  35 o 401.0673 54.07671 12.75526       2.991221  16.29901       3.878283  7.551925       4.699465  445.6925 63.26235 275.4186 97.02181 170.2740       115.8247 
1 1 1 5  4  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  4  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  5  0  o 448.8857 12.35713 14.29250       0.7836613 14.29250       0.7836613 14.29250       0.7836613 448.8857 12.35713 448.8857 12.35713 0.000000       0.000000 
1 1 1 5  5  2  o 1147.055 9.396701 93.11725       1.525385  93.24228       2.159803  92.99282       2.154647  1147.730 13.29703 1146.194 13.28306 1.536011       18.79496 
1 1 1 5  5  4  o 827.5728 8.733105 48.46901       1.022809  49.02290       1.445898  47.91425       1.447044  832.2300 12.27650 822.7628 12.42760 9.467163       17.46876 
1 1 1 5  5  6  o 769.0212 9.535598 41.85460       1.037782  40.80763       1.538610  42.72847       1.405672  759.2576 14.31923 776.9530 12.78408 -17.69537      19.19566 
1 1 1 5  5  8  o 1427.852 14.15094 144.3259       2.859488  144.5476       3.650754  143.9739       4.599503  1428.755 18.05532 1425.619 22.79753 3.136108       29.08130 
1 1 1 5  5  10 o 1041.628 15.38977 76.82075       2.268635  77.30421       3.244932  76.35850       3.172946  1044.573 21.95064 1038.184 21.59576 6.388550       30.79298 
1 1 1 5  5  12 o 1303.842 16.94956 120.4096       3.127541  117.6024       4.352077  123.4076       4.497530  1287.938 23.87711 1319.321 24.08817 -31.38306      33.91690 
1 1 1 5  5  14 o 760.1349 19.25597 40.98760       2.069789  41.65629       3.521270  40.63461       2.558424  764.5493 32.61920 756.3398 23.93221 8.209473       40.45693 
1 1 1 5  5  16 o 858.4513 23.42249 52.38913       2.842906  49.42279       3.945869  55.59091       4.099483  831.7232 33.59221 882.3480 32.88744 -50.62476      47.01085 
1 1 1 5  5  18 o 853.7751 18.63577 51.72773       2.251701  56.05532       3.334661  48.10091       3.052752  887.0641 26.59301 821.7237 26.28482 65.34045       37.39091 
1 1 1 5  5  20 o 1759.572 31.81604 220.4704       7.922694  228.3189       11.33317  212.9687       11.07988  1784.501 44.91177 1723.147 45.47500 61.35364       63.91434 
1 1 1 5  5  22 o 967.9846 20.49143 66.43327       2.807117  65.33471       3.939659  67.56617       4.000772  958.5536 29.07534 974.8070 29.03284 -16.25336      41.08870 
1 1 1 5  5  24 o 671.7038 23.74936 32.07073       2.254060  34.27104       3.256927  30.04798       3.122749  692.9106 33.31080 648.5656 34.14254 44.34497       47.70034 
1 1 1 5  5  26 o 1048.117 25.87300 78.15498       3.837749  78.34376       4.785340  77.81470       6.424620  1047.316 32.32478 1039.758 43.75899 7.557861       54.40350 
1 1 1 5  5  28 o 993.6012 27.90608 70.46775       3.920130  68.80189       4.911111  73.39293       6.507835  979.1592 35.49982 1006.723 45.79792 -27.56372      57.94555 
1 1 1 5  5  30 o 651.3880 36.30567 30.70365       3.333591  30.92617       4.234498  30.34096       5.406065  649.2559 46.39140 635.0472 60.89816 14.20874       76.55552 
1 1 1 5  5  32 o 234.8703 71.16485 4.460574       2.569263  5.056800       3.304210  3.548820       4.086024  248.1838 81.45219 226.7730 88.36878 21.41087       120.1811 
1 1 1 5  5  34 f 453.9171 46.99166 15.71759       2.975073  17.25415       3.769612  13.17973       4.844577  467.0852 58.29238 379.0405 91.38642 88.04477       108.3950 
1 1 1 5  5  36 f 150.2271 64.86717 0.7272472      2.518106  2.269452       3.172933  -1.896803      4.138815  182.5224 75.46339 154.2207 72.75577 28.30164       104.8243 
1 1 1 5  5  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  6  1  o 1109.378 9.309855 87.10036       1.461646  88.29794       2.094770  85.96409       2.040460  1116.885 13.25282 1102.030 13.08322 14.85461       18.62278 
1 1 1 5  6  3  o 1423.191 11.25323 143.3573       2.266523  141.6303       2.969817  145.7664       3.507577  1414.467 14.83601 1434.866 17.27332 -20.39929      22.77004 
1 1 1 5  6  5  o 1003.110 9.865111 71.21477       1.400459  71.19991       1.873026  71.23361       2.109002  1002.930 13.19635 1003.121 14.85607 -0.1914673     19.87074 
1 1 1 5  6  7  o 141.7366 24.41719 1.463843       0.4721015 1.859869       0.6801857 1.095719       0.6557872 159.2084 31.30476 123.0417 35.62466 36.16661       47.42472 
1 1 1 5  6  9  o 793.0146 12.51173 44.51650       1.404165  44.15576       1.769329  45.13028       2.307885  789.7026 15.83162 797.9422 20.45413 -8.239563      25.86526 
1 1 1 5  6  11 o 1078.203 15.91660 82.32640       2.428683  82.13622       3.433621  82.51682       3.435733  1076.524 22.53766 1079.018 22.49939 -2.494263      31.84601 
1 1 1 5  6  13 o 1525.663 18.25136 164.9576       3.940702  169.1090       5.684527  161.1167       5.467779  1543.522 26.02326 1506.674 25.64318 36.84827       36.53468 
1 1 1 5  6  15 o 632.6664 18.43521 28.41114       1.648843  27.47078       2.296330  29.41197       2.369001  621.1125 26.18300 642.7328 26.09872 -21.62036      36.96881 
1 1 1 5  6  17 o 1610.357 19.82383 184.0933       4.517828  180.2668       6.295488  188.1564       6.487171  1590.996 27.96021 1625.349 28.20259 -34.35242      39.71347 
1 1 1 5  6  19 o 537.9695 25.01635 20.61667       1.899374  24.46746       2.630812  16.42414       2.745070  585.0001 31.89778 477.1398 41.05127 107.8604       51.98726 
1 1 1 5  6  21 o 816.9958 20.33619 47.32996       2.351306  49.50685       3.386455  45.30363       3.267247  834.2197 28.72721 797.9395 28.98106 36.28027       40.80630 
1 1 1 5  6  23 o 1348.772 21.30639 129.0230       4.066944  130.0581       5.784073  128.0108       5.719524  1352.600 30.21654 1341.932 30.11685 10.66785       42.66221 
1 1 1 5  6  25 o 939.8145 25.32034 62.84079       3.364616  61.30772       4.198352  65.59319       5.625409  926.7507 32.05905 955.7902 41.68863 -29.03949      52.59015 
1 1 1 5  6  27 o 676.9614 29.60361 32.75074       2.829287  31.70859       3.513421  34.67324       4.771989  664.0914 37.53654 690.7283 49.13801 -26.63690      61.83475 
1 1 1 5  6  29 o 1111.584 28.75260 88.40594       4.519334  84.11852       5.607230  96.35462       7.634807  1080.525 36.72192 1150.045 47.00887 -69.52026      59.65176 
1 1 1 5  6  31 f 772.3004 35.14329 43.33651       3.830971  52.95915       5.308592  32.87911       5.534062  847.4192 44.42019 655.9142 60.29199 191.5049       74.88844 
1 1 1 5  6  33 o 1007.040 31.76562 73.84638       4.521476  76.86809       5.837269  69.31409       7.148957  1018.436 40.58137 951.5974 53.29771 66.83826       66.98876 
1 1 1 5  6  35 o 280.3650 68.45322 6.815971       2.692059  6.142207       3.432667  7.892440       4.338889  255.7846 82.95970 279.9911 93.39396 -24.20651      124.9190 
1 1 1 5  6  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  6  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  7  0  o 351.9385 14.02804 8.807769       0.6961613 8.807769       0.6961613 8.807769       0.6961613 351.9385 14.02804 351.9385 14.02804 0.000000       0.000000 
1 1 1 5  7  2  o 1415.627 10.56757 141.8344       2.117112  144.6776       3.051628  139.1961       2.939610  1429.585 15.08349 1402.253 14.81302 27.33252       21.14089 
1 1 1 5  7  4  o 693.5806 8.744757 34.04480       0.8583502 33.41473       1.200719  34.70330       1.227506  687.0799 12.34850 700.2018 12.38741 -13.12189      17.49095 
1 1 1 5  7  6  o 1658.100 12.63408 194.6087       2.964655  193.5299       4.465157  195.4592       3.964639  1653.130 19.08578 1661.494 16.86106 -8.364258      25.46689 
1 1 1 5  7  8  f 2257.470 18.79560 360.9210       6.004793  354.4595       7.562248  371.9473       9.878671  2236.571 23.89177 2290.068 30.48108 -53.49707      38.72871 
1 1 1 5  7  10 o 1525.875 16.78452 164.8919       3.624495  163.8110       4.941244  166.1508       5.332734  1520.298 22.96612 1530.936 24.61349 -10.63733      33.66402 
1 1 1 5  7  12 f 680.8605 16.57696 32.84027       1.597286  31.37378       2.253736  34.32028       2.264107  664.6356 24.00012 695.2814 23.04183 -30.64581      33.27058 
1 1 1 5  7  14 o 115.6913 43.10715 0.7314268      0.9450017 -1.275226      1.255063  3.358394       1.436007  86.67536 40.63061 212.1708 48.83730 -125.4954      63.52895 
1 1 1 5  7  16 o 545.8066 25.63410 21.23744       1.974521  23.86964       2.950298  19.10193       2.657402  576.6326 36.33799 515.5236 36.66336 61.10907       51.62027 
1 1 1 5  7  18 o 152.5022 50.93770 1.592614       1.290610  0.5173677      2.089111  2.256268       1.641264  148.1152 61.23504 178.1286 57.32948 -30.01340      83.88325 
1 1 1 5  7  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  7  22 o 631.0399 23.39946 28.29016       2.086073  31.56165       3.084636  25.53290       2.831853  665.3373 32.86156 598.1510 33.58831 67.18634       46.98996 
1 1 1 5  7  24 f 689.0206 26.57222 33.79795       2.586217  33.11837       3.260138  34.95161       4.247699  680.7439 33.94727 697.2658 43.25932 -16.52191      54.98896 
1 1 1 5  7  26 o 1535.559 26.24812 167.8415       5.704065  165.4002       7.133076  172.1715       9.499690  1521.687 33.12316 1546.727 43.44166 -25.04004      54.62895 
1 1 1 5  7  28 o 485.6314 39.20983 17.07599       2.671875  16.30375       3.472789  18.19621       4.182661  470.0193 53.13955 493.7041 61.17164 -23.68478      81.02951 
1 1 1 5  7  30 o 813.5135 31.93148 47.70956       3.669098  47.97183       4.603498  47.25280       6.075195  811.3921 40.21544 795.9523 54.25726 15.43982       67.53616 
1 1 1 5  7  32 o 270.6465 68.97672 6.002574       2.649301  7.893744       3.519178  3.528817       4.024893  304.5964 80.45471 224.3156 87.62063 80.28082       118.9552 
1 1 1 5  7  34 o 283.6872 71.26319 6.906169       2.856929  5.592914       3.619535  9.076419       4.653001  249.2424 85.29524 304.7419 96.35967 -55.49956      128.6875 
1 1 1 5  7  36 o 542.7573 51.15575 23.68441       3.882998  25.53982       5.450303  21.77198       5.533419  530.5544 74.65057 473.8822 85.66152 56.67218       113.6248 
1 1 1 5  7  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  8  1  o 1041.761 9.317226 76.80743       1.373645  76.63482       1.955355  76.97562       1.930145  1040.494 13.27902 1042.811 13.07870 -2.316650      18.63826 
1 1 1 5  8  3  o 2243.642 14.38947 356.3576       4.568967  354.9420       6.438174  357.7939       6.485073  2238.696 20.32113 2247.665 20.38747 -8.969482      28.78537 
1 1 1 5  8  5  o 393.6902 10.52874 10.97785       0.5860850 11.07842       0.8624587 10.89156       0.7988859 395.2728 15.44751 391.9721 14.42618 3.300629       21.13623 
1 1 1 5  8  7  f 1437.949 12.62773 146.3696       2.569737  146.5092       3.627347  146.2289       3.641005  1438.350 17.81987 1436.968 17.90417 1.381958       25.26079 
1 1 1 5  8  9  o 1128.994 13.23333 90.24062       2.114369  89.77531       2.658803  91.04108       3.487311  1125.905 16.68648 1133.483 21.73981 -7.578369      27.40544 
1 1 1 5  8  11 o 730.5283 16.01759 37.80154       1.655975  36.47274       2.297834  39.23740       2.388608  716.8480 22.67872 743.5421 22.72635 -26.69409      32.10625 
1 1 1 5  8  13 o 731.0466 17.23878 37.88054       1.783493  37.46545       2.513259  38.30161       2.531318  725.9951 24.49662 734.0739 24.40007 -8.078735      34.57524 
1 1 1 5  8  15 o 529.3002 24.96633 19.96298       1.864880  21.09152       2.725392  18.96935       2.557303  542.1567 35.71993 514.1111 35.36381 28.04559       50.26443 
1 1 1 5  8  17 o 838.7244 18.62246 49.92395       2.210427  51.56092       3.192945  48.41739       3.063125  850.6649 26.55495 824.3573 26.28967 26.30762       37.36726 
1 1 1 5  8  19 o 521.7415 23.09355 19.36471       1.700938  18.88861       2.480641  19.78719       2.336779  513.6202 34.32431 526.2216 31.52279 -12.60138      46.60306 
1 1 1 5  8  21 o 1617.265 32.95267 186.0520       7.542086  186.5984       10.37136  185.4389       10.98753  1615.216 45.41683 1609.060 48.30588 6.155273       66.30344 
1 1 1 5  8  23 o 676.2231 26.97124 32.54557       2.575958  31.18909       3.301533  34.65623       4.118291  660.5561 35.44701 695.0192 42.06672 -34.46307      55.00999 
1 1 1 5  8  25 o 632.9426 28.57228 28.59381       2.552747  31.19740       3.326239  24.86277       3.981825  659.6143 35.76607 585.2678 48.50909 74.34656       60.26892 
1 1 1 5  8  27 o 544.9618 35.02445 21.36031       2.686901  19.75572       3.491915  23.68925       4.206890  520.3006 47.96250 568.3430 52.91132 -48.04236      71.41434 
1 1 1 5  8  29 f 157.3965 64.92604 0.7529058      2.341437  2.972970       3.078261  -2.294934      3.606772  211.9774 78.01682 153.8077 70.99403 58.16968       105.4835 
1 1 1 5  8  31 o 576.0296 38.12102 24.34381       3.090147  23.50225       3.983657  25.61523       4.896491  558.2499 50.98578 575.5309 61.04676 -17.28101      79.53777 
1 1 1 5  8  33 f 988.3965 32.54062 71.42599       4.545529  68.16753       5.796970  76.62770       7.324324  954.1500 43.04118 999.3191 51.96828 -45.16913      67.47775 
1 1 1 5  8  35 o 178.4359 72.65414 2.145868       2.884245  3.219394       3.994724  0.9767904      4.168715  203.8810 84.51875 180.1268 80.38727 23.75421       116.6428 
1 1 1 5  8  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  9  0  o 841.7402 12.63751 50.17829       1.504661  50.17829       1.504661  50.17829       1.504661  841.7402 12.63751 841.7402 12.63751 -0.000000      0.000000 
1 1 1 5  9  2  o 668.4895 8.883076 31.62686       0.8403840 30.49385       1.169487  32.83658       1.208434  656.3476 12.59047 681.0945 12.53706 -24.74695      17.76789 
1 1 1 5  9  4  o 540.2267 9.063135 20.65503       0.6929060 20.55432       0.9807985 20.75538       0.9790379 538.8553 12.86139 541.4857 12.77594 -2.630432      18.12843 
1 1 1 5  9  6  o 606.6860 9.765286 26.05108       0.8384337 27.18968       1.268731  25.16832       1.117133  619.7104 14.46641 596.2565 13.23890 23.45392       19.60983 
1 1 1 5  9  8  o 607.0636 12.29320 26.08915       1.056134  26.21131       1.281195  25.83011       1.865624  608.4175 14.87968 603.3436 21.88567 5.073975       26.46484 
1 1 1 5  9  10 o 737.7706 13.04292 38.54109       1.361808  40.58744       1.725528  35.16152       2.217495  756.9702 16.10732 703.8781 22.28913 53.09210       27.50003 
1 1 1 5  9  12 o 249.1821 29.66972 4.476208       1.025761  3.484164       1.475521  5.404062       1.426986  216.2546 49.31024 272.7236 38.00314 -56.46896      62.25543 
1 1 1 5  9  14 o 212.0918 35.74049 3.298751       1.034667  3.117927       1.483448  3.470046       1.443836  204.0066 51.40957 215.4313 48.52672 -11.42471      70.69502 
1 1 1 5  9  16 o 629.9775 19.21879 28.19821       1.711444  29.29853       2.439500  27.13177       2.401640  640.9073 26.95607 616.5919 27.59256 24.31549       38.57433 
1 1 1 5  9  18 o 639.8892 20.44216 29.08938       1.848817  30.80656       2.687380  27.54635       2.547470  657.2257 28.96427 621.3923 29.04873 35.83344       41.02143 
1 1 1 5  9  20 o 618.2563 53.21519 27.63262       4.610857  27.63262       4.610857  0.000000       0.000000  618.2563 53.21519 ?        ?        ?              ?        
1 1 1 5  9  22 o 1198.289 26.89434 101.9967       4.560813  97.04475       6.443232  106.9693       6.456716  1165.704 39.11210 1224.424 37.30500 -58.71973      54.05016 
1 1 1 5  9  24 o 713.0131 26.48656 36.21504       2.668009  36.75708       3.441067  35.39804       4.224609  716.7947 34.01886 701.1630 42.77790 15.63165       54.65557 
1 1 1 5  9  26 o 1102.165 25.89052 86.50058       4.038381  87.82455       5.186966  84.46285       6.434987  1107.878 33.11995 1082.767 42.07463 25.11108       53.54630 
1 1 1 5  9  28 o 193.7536 68.14218 2.559631       2.317464  0.8840382      2.976506  5.138920       3.692942  175.7121 72.90899 260.0028 86.14561 -84.29070      112.8574 
1 1 1 5  9  30 o 947.3282 30.36675 64.72984       4.065905  64.21685       5.247663  65.50034       6.431331  937.3351 39.64909 939.2645 48.54778 -1.929382      62.68124 
1 1 1 5  9  32 o 838.9143 32.72966 51.34611       3.878331  48.42485       4.883192  56.33696       6.382720  805.9479 42.96844 858.5349 52.78773 -52.58698      68.06490 
1 1 1 5  9  34 f 346.2204 59.92527 9.822340       2.829916  7.806891       3.610575  13.03259       4.556797  288.8719 83.57645 372.0463 87.94346 -83.17441      121.3222 
1 1 1 5  9  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  9  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  10 1  o 683.6554 9.171590 33.07910       0.8873637 33.34462       1.244568  32.80454       1.265538  686.3264 12.81351 680.7386 13.13636 5.587830       18.35075 
1 1 1 5  10 3  o 268.9349 12.76108 5.131448       0.4842994 4.801780       0.6626507 5.509442       0.7095584 259.7591 18.13978 278.3315 18.11220 -18.57239      25.63403 
1 1 1 5  10 5  o 1011.530 10.13230 72.42210       1.450462  73.68678       2.208157  71.46230       1.923670  1020.137 15.29508 1004.692 13.52938 15.44495       20.42017 
1 1 1 5  10 7  o 1261.343 11.91094 112.6304       2.126176  108.9408       2.926241  116.7567       3.094547  1240.239 16.67190 1283.933 17.03079 -43.69458      23.83275 
1 1 1 5  10 9  o 184.2118 26.64847 2.457576       0.6745584 2.573904       0.8046625 2.182534       1.237290  187.8509 31.37349 172.4927 48.61147 15.35818       57.85647 
1 1 1 5  10 11 o 478.0300 14.80308 16.20436       1.000238  16.93144       1.223511  14.73926       1.736801  488.4240 17.73015 454.6914 27.11380 33.73254       32.39624 
1 1 1 5  10 13 o 518.8682 18.86687 19.12530       1.383098  19.24784       1.949646  19.00115       1.962409  519.5291 26.60571 516.1266 26.96012 3.402405       37.87759 
1 1 1 5  10 15 o 528.7647 24.72792 19.93154       1.845293  19.78669       2.593959  20.07994       2.625606  524.8668 35.12378 528.7211 35.29205 -3.854370      49.79165 
1 1 1 5  10 17 o 134.4953 48.10799 1.117347       1.159355  1.196805       1.626656  1.035314       1.652808  149.2344 56.35613 146.0437 56.39733 3.190704       79.72874 
1 1 1 5  10 19 f 1139.089 22.24402 92.06228       3.585840  89.22542       4.388380  97.76214       6.220394  1120.572 27.67225 1170.296 37.60682 -49.72327      46.69076 
1 1 1 5  10 21 o 1263.411 46.50036 114.3356       8.300020  114.3356       8.300020  0.000000       0.000000  1263.411 46.50036 ?        ?        ?              ?        
1 1 1 5  10 23 o 442.9424 32.68327 14.06120       2.034337  12.37383       2.627724  16.58548       3.213991  412.7444 45.75373 477.9654 48.17120 -65.22092      66.43695 
1 1 1 5  10 25 o 880.2604 26.82181 55.23483       3.337430  54.00772       4.375072  56.94275       5.161500  867.9634 35.69370 889.4083 41.11798 -21.44489      54.44932 
1 1 1 5  10 27 o 941.2390 28.02450 63.30735       3.728839  61.96737       4.795328  65.35680       5.930451  928.0295 36.58377 949.5006 44.25569 -21.47113      57.41897 
1 1 1 5  10 29 o 481.7174 43.60059 17.08097       2.940228  17.78797       3.980403  16.23193       4.361965  483.9723 59.35608 456.3073 69.75888 27.66495       91.59392 
1 1 1 5  10 31 o 385.8097 53.46130 11.45946       2.840646  17.39347       3.872131  4.544064       4.180079  472.5002 59.20261 240.5527 90.44992 231.9476       108.1024 
1 1 1 5  10 33 f 379.1549 54.45586 11.35683       2.838269  10.76260       3.776203  12.12843       4.303036  350.4359 78.13565 366.4431 84.67558 -16.00720      115.2178 
1 1 1 5  10 35 o 270.6795 76.29176 6.976504       3.047342  3.928582       4.228747  10.26918       4.395258  210.0354 87.00460 309.3532 92.93726 -99.31776      127.3072 
1 1 1 5  10 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  11 0  o 978.6231 13.63775 67.82438       1.887939  67.82438       1.887939  67.82438       1.887939  978.6231 13.63775 978.6231 13.63775 -0.000000      0.000000 
1 1 1 5  11 2  o 1444.141 11.02282 147.6247       2.252796  145.2959       3.144032  150.0820       3.229560  1432.462 15.50901 1455.853 15.67494 -23.39087      22.05069 
1 1 1 5  11 4  o 1292.189 11.12882 118.1969       2.035143  120.5827       3.115717  116.4214       2.687731  1304.846 16.87248 1282.261 14.81118 22.58533       22.45109 
1 1 1 5  11 6  o 588.8234 9.887907 24.54189       0.8239659 24.46245       1.208259  24.61095       1.126554  587.7537 14.52596 589.5645 13.50209 -1.810791      19.83204 
1 1 1 5  11 8  o 646.5216 10.65758 29.59153       0.9751278 29.25888       1.364388  29.93886       1.394172  642.7240 15.00008 650.1431 15.15262 -7.419128      21.32145 
1 1 1 5  11 10 o 770.6581 12.99839 42.06513       1.417657  43.86129       1.759173  38.73792       2.394290  786.7626 15.79957 738.4648 22.93793 48.29785       27.85273 
1 1 1 5  11 12 o 323.4260 23.91539 7.473173       1.086898  7.888169       1.500689  7.015299       1.576311  331.0482 32.44801 311.2788 36.47355 19.76941       48.81796 
1 1 1 5  11 14 f 364.9565 30.35608 9.564396       1.553676  9.584805       2.223105  9.544911       2.172236  362.4147 44.26184 361.8898 43.27075 0.5248413      61.89886 
1 1 1 5  11 16 f 774.1721 20.58442 42.58836       2.253255  42.54754       2.870976  42.65384       3.636046  772.7792 26.28979 772.1449 33.35310 0.6343384      42.46861 
1 1 1 5  11 18 o 1077.659 21.46149 82.40055       3.273114  88.28764       4.354781  74.75648       4.962245  1114.504 27.60991 1023.744 34.29894 90.75989       44.03094 
1 1 1 5  11 20 o 1301.032 22.51922 120.0804       4.146303  123.9372       5.393542  114.5077       6.483203  1320.682 28.85732 1267.431 36.18180 53.25085       46.28031 
1 1 1 5  11 22 o 422.6099 32.70423 12.79982       1.940766  15.25742       2.554388  9.443904       2.984950  460.3676 39.59105 356.2902 61.41602 104.0774       73.07105 
1 1 1 5  11 24 o 315.1499 46.64413 7.305623       2.017600  8.073791       2.576082  6.086756       3.244964  328.7091 57.46805 281.4350 78.51383 47.27411       97.29850 
1 1 1 5  11 26 o 747.9182 34.03863 40.15595       3.593404  42.68291       5.279219  37.97449       4.905066  765.3743 48.99624 722.0656 48.27816 43.30865       68.78527 
1 1 1 5  11 28 o 610.7586 34.51896 26.95400       2.971499  24.42388       3.791307  30.98352       4.784591  576.2411 46.89565 646.3011 52.76958 -70.05994      70.59625 
1 1 1 5  11 30 o 269.9181 69.31474 5.940012       2.661339  4.533521       3.434684  8.053098       4.209949  238.0593 83.01286 303.5912 90.89980 -65.53185      123.1012 
1 1 1 5  11 32 o 915.6761 31.90779 61.29632       4.128519  60.75679       5.332532  62.10362       6.522925  901.2249 41.92492 898.9883 51.48594 2.236572       66.39655 
1 1 1 5  11 34 o 281.5947 76.68954 7.385441       3.138108  4.178376       4.613024  10.14800       4.281415  218.4934 90.72203 315.3020 90.94577 -96.80865      128.4586 
1 1 1 5  11 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  12 1  o 450.9517 10.70757 14.39510       0.6833459 14.05969       0.9681712 14.72806       0.9646325 445.3121 15.38582 455.8092 14.97438 -10.49707      21.46988 
1 1 1 5  12 3  o 587.7763 9.780682 24.45451       0.8135813 24.42335       1.141900  24.48664       1.159457  587.3063 13.73863 588.0612 13.93196 -0.7549438     19.56654 
1 1 1 5  12 5  o 583.4586 10.03867 24.09796       0.8289078 23.26781       1.210325  24.83130       1.137561  572.9903 14.93846 592.1737 13.57393 -19.18341      20.18438 
1 1 1 5  12 7  f 720.0453 10.48155 36.70601       1.068084  36.42341       1.490047  37.00466       1.531815  717.0876 14.68277 722.7717 14.97565 -5.684021      20.97269 
1 1 1 5  12 9  o 498.0054 13.37140 17.58046       0.9415377 16.66271       1.091631  20.24651       1.860570  484.6378 15.93786 533.3773 24.71577 -48.73947      29.40892 
1 1 1 5  12 11 o 395.6693 15.96187 11.11711       0.8919560 10.89755       1.041131  11.72287       1.729319  391.4612 18.84841 404.4932 30.43272 -13.03204      35.79683 
1 1 1 5  12 13 o 671.0178 18.21373 31.97752       1.728029  34.46655       2.464244  29.56940       2.423861  695.5449 25.07552 643.8791 26.65777 51.66577       36.59807 
1 1 1 5  12 15 o 91.79790 41.71911 -0.6980436     1.182497  0.9126292E-01  1.582897  -1.694815      1.778801  123.2562 52.27679 103.9378 48.60881 19.31839       71.38403 
1 1 1 5  12 17 o 595.5294 23.16036 25.21773       1.948227  26.91334       2.560786  22.88764       3.001913  614.3412 29.54054 564.9778 37.76134 49.36334       47.94333 
1 1 1 5  12 19 o 872.0886 21.93686 53.98222       2.705266  51.49734       3.445277  57.97772       4.368759  850.8348 28.65359 901.8340 34.29286 -50.99915      44.68813 
1 1 1 5  12 21 o 366.4967 74.80767 10.15616       3.748587  10.15616       3.748587  0.000000       0.000000  366.4967 74.80767 ?        ?        ?              ?        
1 1 1 5  12 23 o 1352.389 24.23546 130.0580       4.638449  133.6714       6.044282  124.8813       7.234516  1368.833 31.20142 1319.594 38.78116 49.23926       49.77456 
1 1 1 5  12 25 o 941.9302 30.45858 63.44257       4.054869  59.87220       5.811919  66.82871       5.659998  909.2680 45.30835 962.4395 41.65360 -53.17145      61.54566 
1 1 1 5  12 27 o 561.2667 35.62936 22.76870       2.815461  23.44883       3.682711  21.81205       4.367666  565.5518 46.42066 540.0820 58.05432 25.46979       74.33157 
1 1 1 5  12 29 o 253.1415 69.66241 5.173113       2.573888  4.470378       3.342566  6.196794       4.034285  238.0966 81.95059 272.1522 90.03397 -34.05554      121.7457 
1 1 1 5  12 31 f 448.9783 45.49699 15.25036       2.851002  12.85372       3.662082  18.93800       4.542555  397.0541 67.59098 482.5410 68.43664 -85.48694      96.18790 
1 1 1 5  12 33 o 207.5214 73.09766 3.672787       2.667534  2.368953       3.293833  6.157722       4.547241  188.8345 77.35452 250.2892 94.28955 -61.45474      121.9600 
1 1 1 5  12 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  12 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  13 0  f 862.2979 13.87532 52.67548       1.692258  52.67548       1.692258  52.67548       1.692258  862.2979 13.87532 862.2979 13.87532 0.000000       0.000000 
1 1 1 5  13 2  o 1030.877 10.04862 75.22888       1.465997  75.78349       2.076855  74.67812       2.069628  1034.455 14.18648 1026.880 14.24141 7.575195       20.10159 
1 1 1 5  13 4  o 756.5282 10.16457 40.51777       1.088264  39.37346       1.609639  41.48124       1.476978  745.5477 15.25574 765.3252 13.63667 -19.77747      20.46207 
1 1 1 5  13 6  o 406.2836 11.06056 11.69645       0.6353631 10.73205       0.9088284 12.61837       0.8885915 388.8092 16.55467 421.7724 14.91035 -32.96320      22.27949 
1 1 1 5  13 8  o 450.8933 11.16945 14.39750       0.7127308 13.86407       0.9803255 14.99562       1.038057  442.0109 15.69667 459.6937 15.98063 -17.68280      22.40014 
1 1 1 5  13 10 o 261.4099 19.19713 4.875287       0.7052431 4.499777       0.7957609 6.249907       1.522523  250.6579 22.67778 293.2736 37.54342 -42.61565      43.86103 
1 1 1 5  13 12 o 976.7933 14.96733 67.65060       2.069029  65.57384       2.327223  75.48293       4.519501  961.3867 17.10488 1027.898 31.10431 -66.51160      35.49725 
1 1 1 5  13 14 o 467.2959 25.98533 15.59096       1.711695  14.93820       2.385532  16.28370       2.457476  455.1927 37.35987 475.5024 36.80515 -20.30969      52.44406 
1 1 1 5  13 16 o 246.2859 39.97298 4.444898       1.345516  4.767452       1.806730  4.043239       2.016141  252.8268 52.22456 232.0036 60.71333 20.82329       80.08442 
1 1 1 5  13 18 o 487.8242 25.59527 16.94308       1.760844  16.41233       2.291444  17.70844       2.751670  478.9610 34.02723 496.6989 39.46998 -17.73795      52.11269 
1 1 1 5  13 20 o 544.4146 25.71600 21.10074       1.975712  20.37182       2.589763  22.11569       3.055896  533.6022 34.47892 555.2082 39.14312 -21.60602      52.16301 
1 1 1 5  13 22 o 322.2264 88.17291 8.072410       4.136834  8.072410       4.136834  0.000000       0.000000  322.2264 88.17291 ?        ?        ?              ?        
1 1 1 5  13 24 o 495.6941 33.64039 17.65976       2.345923  17.40975       3.005902  18.04930       3.752086  489.5280 43.85285 495.1120 54.44627 -5.584045      69.91043 
1 1 1 5  13 26 o 641.2374 32.53122 29.56426       2.942508  32.02282       3.934396  26.44349       4.432697  663.9527 42.08838 598.5660 52.87129 65.38666       67.57813 
1 1 1 5  13 28 o 457.1035 45.52912 15.51183       2.906135  14.22616       3.723394  17.51592       4.648723  428.5045 63.30258 470.5601 72.10087 -42.05560      95.94661 
1 1 1 5  13 30 o 217.8159 74.15514 3.807947       2.735150  -0.2852855E-01 3.868599  7.642391       3.867575  175.3789 77.90431 293.8153 86.91903 -118.4364      116.7219 
1 1 1 5  13 32 o 273.1288 60.24728 6.156932       2.266138  6.752099       2.709755  4.772305       4.133111  280.5913 68.78088 233.1025 89.39962 47.48880       112.7967 
1 1 1 5  13 34 f 233.5197 65.22103 4.912315       2.237826  4.006255       2.652393  7.150452       4.168719  207.7879 72.91425 254.7869 91.21396 -46.99899      116.7753 
1 1 1 5  13 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  14 1  o 321.8914 14.37029 7.354316       0.6529778 8.421715       0.9330223 6.329625       0.9141665 344.1199 19.23510 297.9178 21.83412 46.20206       29.09842 
1 1 1 5  14 3  o 792.5102 10.55164 44.46994       1.183436  43.40359       1.747575  45.37315       1.608343  782.6536 15.77780 800.3185 14.20025 -17.66486      21.22701 
1 1 1 5  14 5  o 531.0377 10.51571 19.96802       0.7902847 18.89038       1.144181  20.95113       1.092848  516.0581 15.68486 543.6156 14.21743 -27.55750      21.16956 
1 1 1 5  14 7  o 331.5655 12.59411 7.799255       0.5898836 7.678048       0.8142793 7.933109       0.8557043 328.5695 17.57557 333.9400 18.17505 -5.370514      25.28306 
1 1 1 5  14 9  o 187.3835 25.46875 2.543111       0.6579304 2.495028       0.7072051 2.852534       1.794014  185.1600 27.85020 196.8409 59.42936 -11.68092      65.63142 
1 1 1 5  14 11 f 710.0444 14.26387 35.74196       1.433318  35.94136       1.611294  34.98597       3.137413  711.8499 15.99434 699.1897 31.79029 12.66022       35.58710 
1 1 1 5  14 13 o 744.4091 22.27867 39.42091       2.344400  37.28765       3.203869  41.87970       3.439638  722.0584 31.42852 765.2036 31.83211 -43.14514      44.73293 
1 1 1 5  14 15 o 336.7105 29.83024 8.133024       1.406763  6.305286       1.779861  11.17532       2.296308  293.4180 44.23637 392.9088 41.94497 -99.49088      60.96094 
1 1 1 5  14 17 o 991.9546 21.02567 69.79334       2.951626  70.48254       3.819015  68.77092       4.651479  995.6842 27.12782 982.2935 33.50938 13.39075       43.11377 
1 1 1 5  14 19 f 831.8145 22.36870 49.13712       2.630829  50.09286       3.398069  47.70705       4.156618  838.9064 28.66403 817.2603 36.02703 21.64612       46.03883 
1 1 1 5  14 21 o 177.5313 76.37073 -0.8779014E-02 3.465237  -0.8779014E-02 3.465237  0.000000       0.000000  177.5313 76.37073 ?        ?        ?              ?        
1 1 1 5  14 23 o 247.6803 55.72101 4.639596       1.905718  3.943755       2.510348  5.586056       2.927722  229.6510 70.49538 269.3958 74.35965 -39.74481      102.4644 
1 1 1 5  14 25 o 254.4504 60.65948 4.966820       2.153382  4.710978       2.857458  5.303087       3.275940  247.6633 75.05197 261.8649 80.55759 -14.20155      110.1014 
1 1 1 5  14 27 o 318.0484 58.47840 7.787493       2.535172  5.768792       3.294609  10.71801       3.969535  267.2895 80.50029 363.8011 79.34027 -96.51160      113.0273 
1 1 1 5  14 29 o 289.3846 64.59425 6.776168       2.578296  2.895846       3.218272  13.72959       4.308124  204.9614 78.81568 405.2029 77.95679 -200.2415      110.8565 
1 1 1 5  14 31 o 152.2991 62.02202 1.134112       2.102263  1.097353       2.517143  1.218880       3.822443  160.1997 66.80657 184.3726 79.76630 -24.17296      104.0470 
1 1 1 5  14 33 o 119.2595 54.66504 -0.7486535     2.087114  -3.325557      2.507362  5.065010       3.766109  107.1930 52.11149 226.1448 85.67184 -118.9518      100.2760 
1 1 1 5  14 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  15 0  o 104.8176 48.44330 1.141052       0.7917270 1.141052       0.7917270 1.141052       0.7917270 104.8176 48.44330 104.8176 48.44330 -0.000000      0.000000 
1 1 1 5  15 2  o 458.2140 11.77355 14.88045       0.7628437 15.20645       1.086398  14.56339       1.071406  462.8491 16.61249 452.9325 16.74360 9.916534       23.58650 
1 1 1 5  15 4  o 483.9916 11.48074 16.59144       0.7863713 17.29901       1.184353  16.03357       1.051633  493.6320 16.97873 475.3322 15.65453 18.29971       23.09419 
1 1 1 5  15 6  o 353.4828 12.91933 8.865183       0.6452037 9.009492       0.9167127 8.723525       0.9082576 355.8822 18.26258 350.1603 18.39280 5.721893       25.91943 
1 1 1 5  15 8  o 592.4023 10.48717 24.85725       0.8792149 24.85108       1.190131  24.86467       1.304522  592.0844 14.20337 591.9331 15.58609 0.1513062      21.08701 
1 1 1 5  15 10 o 594.8429 13.58129 25.08198       1.143307  24.76196       1.252044  26.68801       2.804847  590.7335 14.98854 610.1897 32.59895 -19.45618      35.87963 
1 1 1 5  15 12 o 431.0389 17.03719 13.20151       1.037237  13.14747       1.151931  13.43305       2.384483  429.9401 18.97887 430.9637 39.53625 -1.023682      43.85559 
1 1 1 5  15 14 o 103.1408 44.53000 -0.1188328     1.186375  1.089320       1.522939  -1.983662      1.892088  143.9083 54.48819 105.3476 49.54234 38.56066       73.64378 
1 1 1 5  15 16 f 1203.601 21.04791 102.7600       3.585183  103.1146       4.639783  102.2345       5.648044  1204.682 27.21482 1197.843 33.35042 6.839233       43.04529 
1 1 1 5  15 18 f 592.6682 24.02996 24.97791       2.011329  25.80587       2.602533  23.74998       3.169409  601.5070 30.67411 575.5228 39.14612 25.98425       49.73248 
1 1 1 5  15 20 o 642.7421 24.97182 29.41769       2.267147  31.38293       2.988840  26.75471       3.479196  662.5852 31.96867 609.7195 40.55125 52.86566       51.63719 
1 1 1 5  15 22 f 285.4637 94.75863 6.133032       4.467767  6.133032       4.467767  0.000000       0.000000  285.4637 94.75863 ?        ?        ?              ?        
1 1 1 5  15 24 o 453.8512 37.43272 14.91459       2.382921  12.65775       3.111628  18.11523       3.705570  412.4506 54.65215 494.8834 53.77276 -82.43277      76.67052 
1 1 1 5  15 26 o 423.0603 35.19841 13.00812       2.088319  12.50108       2.455968  14.33164       3.967982  412.1202 42.72866 430.1398 67.39573 -18.01956      79.79926 
1 1 1 5  15 28 f 229.0901 62.17985 4.211658       2.067087  3.247307       2.456111  6.553349       3.827325  205.2324 70.26152 275.4576 87.42921 -70.22517      112.1630 
1 1 1 5  15 30 o 286.4763 67.56261 6.886121       2.694369  7.735453       3.536879  5.711652       4.159128  293.8190 81.96955 251.8496 90.98951 41.96935       122.4667 
1 1 1 5  15 32 o 147.4665 62.18740 0.9177355      2.218857  2.285191       2.617309  -2.576038      4.183558  177.2990 70.22816 150.6107 71.66263 26.68823       100.3371 
1 1 1 5  15 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  15 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  16 1  o 597.7142 12.01075 25.30984       1.015976  23.71729       1.319362  27.62998       1.592483  578.1054 16.14219 623.7869 18.05827 -45.68152      24.22130 
1 1 1 5  16 3  o 169.2488 28.99076 2.097672       0.6694281 2.492831       0.9719520 1.741047       0.9233456 183.1783 38.70700 153.2199 41.54547 29.95848       56.78255 
1 1 1 5  16 5  o 125.5010 32.36240 1.167295       0.5784983 2.048573       0.8883782 0.5184662      0.7622659 165.7841 38.59011 101.2002 38.49523 64.58385       54.50761 
1 1 1 5  16 7  o 531.3198 11.25343 19.99989       0.8461763 20.16475       1.159451  19.81201       1.237729  533.0044 15.38709 528.1865 16.57894 4.817871       22.61910 
1 1 1 5  16 9  o 626.4066 12.71492 27.80922       1.127171  27.32710       1.216718  30.72762       2.993552  620.8618 13.84762 654.8455 32.40254 -33.98364      35.23750 
1 1 1 5  16 11 f 563.5334 13.87543 22.50945       1.106588  22.57773       1.210781  22.16314       2.726673  564.0906 15.18071 555.6348 34.85111 8.455750       38.01387 
1 1 1 5  16 13 o 751.1297 14.62385 39.98095       1.554521  38.76772       1.721249  45.34900       3.620587  739.5026 16.44691 797.1072 32.16141 -57.60468      36.12281 
1 1 1 5  16 15 f 229.9138 42.62981 3.896528       1.336007  3.935106       1.690718  3.832391       2.179999  229.5153 53.10642 227.1226 64.70211 2.392700       83.70576 
1 1 1 5  16 17 o 694.5068 22.57365 34.26816       2.215750  33.26826       2.833074  35.84322       3.555716  683.3336 29.36433 708.2232 35.59027 -24.88965      46.14034 
1 1 1 5  16 19 o 179.2340 55.28847 2.329952       1.541821  2.132649       1.990438  2.625940       2.437914  180.3347 63.17255 199.2159 69.90427 -18.88116      94.21983 
1 1 1 5  16 21 o 361.3073 46.62811 9.577822       2.328674  9.577822       2.328674  0.000000       0.000000  361.3073 46.62811 ?        ?        ?              ?        
1 1 1 5  16 23 o 354.9243 35.97181 9.137683       1.781908  9.846029       2.104272  7.342346       3.350058  367.2061 41.20212 305.8011 77.36389 61.40500       87.65150 
1 1 1 5  16 25 o 349.5784 40.28594 8.975971       1.956642  8.213778       2.288422  11.04780       3.772945  330.7993 50.47866 374.1167 73.88380 -43.31741      89.48134 
1 1 1 5  16 27 o 375.0695 40.51533 10.44768       2.116467  10.35252       2.505730  10.68461       3.953667  369.3544 49.15633 356.8111 80.24777 12.54333       94.10659 
1 1 1 5  16 29 o 146.2283 60.84584 0.7859974      2.081326  1.178340       2.484936  -0.1361986     3.809728  161.8868 66.84275 170.9241 76.52353 -9.037308      101.6061 
1 1 1 5  16 31 o 143.4309 59.24243 0.9548812      1.952858  1.099794       2.348364  0.6300157      3.516121  154.1018 64.41542 168.4065 74.56699 -14.30464      98.53721 
1 1 1 5  16 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  16 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  17 0  o 428.8301 21.96228 13.14437       1.324832  13.14437       1.324832  13.14437       1.324832  428.8301 21.96228 428.8301 21.96228 0.000000       0.000000 
1 1 1 5  17 2  f 421.3387 16.72011 12.61564       0.9950091 13.89030       1.654185  11.89299       1.245528  440.7505 26.64432 408.4762 21.62304 32.27432       34.31437 
1 1 1 5  17 4  o 443.9379 15.74441 13.99694       0.9875981 13.40409       1.743285  14.27713       1.198467  432.5702 28.63809 447.9991 18.94570 -15.42896      34.33773 
1 1 1 5  17 6  o 145.9266 33.51568 1.583768       0.6775492 0.9091223      1.405532  1.788003       0.7733354 135.2646 52.06750 154.9180 35.96614 -19.65341      63.28182 
1 1 1 5  17 8  o 558.4843 12.98352 22.10678       1.026179  21.89717       2.145979  22.16892       1.168426  553.5851 27.47772 558.9384 14.78424 -5.353210      31.20254 
1 1 1 5  17 10 o 191.2812 46.66910 2.739464       1.251967  1.954245       1.570043  4.110624       2.074724  168.2534 56.18171 233.1614 61.86285 -64.90805      83.56673 
1 1 1 5  17 12 o 799.5797 11.85732 45.28146       1.341739  45.23539       1.447274  45.56326       3.579283  799.1111 12.79746 799.1478 31.71116 -0.3668213E-01 34.19609 
1 1 1 5  17 14 o 453.7762 14.28355 14.60192       0.9161283 14.29415       0.9743791 16.94751       2.689950  448.8874 15.36070 485.6671 39.47696 -36.77972      42.36014 
1 1 1 5  17 16 o 1021.187 16.95522 73.91830       2.450353  71.85877       2.799448  80.66573       5.067083  1006.562 19.65225 1063.545 33.70787 -56.98291      39.01835 
1 1 1 5  17 18 o 767.2347 18.32363 41.76422       1.989572  42.91052       2.345500  38.82346       3.756776  777.0330 21.34952 736.0355 36.17673 40.99756       42.00664 
1 1 1 5  17 20 o 696.0372 20.33392 34.45012       2.000818  35.33541       2.355174  32.15408       3.792862  704.3231 23.66182 667.5955 40.33336 36.72766       46.76176 
1 1 1 5  17 22 o 397.8219 48.12760 11.65560       2.654567  11.65560       2.654567  0.000000       0.000000  397.8219 48.12760 ?        ?        ?              ?        
1 1 1 5  17 24 o 264.2546 48.92341 5.269950       1.762246  5.845493       2.123689  3.997400       3.157835  276.2791 56.23003 231.9164 79.66014 44.36273       97.50669 
1 1 1 5  17 26 o 253.7774 53.72403 5.014602       1.869279  6.148651       2.189077  1.961408       3.591885  280.2140 57.14073 197.5715 80.83820 82.64247       98.99433 
1 1 1 5  17 28 o 418.2605 37.28008 12.99679       2.183597  12.31223       2.564869  14.79970       4.162399  402.2000 45.88087 421.2110 72.43833 -19.01099      85.74594 
1 1 1 5  17 30 o 116.0728 54.76295 -1.900738      2.345635  -5.209059      3.026720  3.073916       3.711503  110.7023 54.52383 202.8946 82.49022 -92.19233      98.88116 
1 1 1 5  17 32 o 219.3637 63.85783 4.371291       2.101966  3.033350       2.503989  7.563690       3.867876  185.5679 69.95561 261.6665 88.19031 -76.09862      112.5669 
1 1 1 5  17 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  18 1  o 195.5840 29.37662 2.789773       0.7880166 1.257035       1.091173  4.460483       1.139227  137.0472 46.83406 247.5069 33.37360 -110.4597      57.50848 
1 1 1 5  18 3  o 185.6747 32.66955 2.536543       0.8271195 2.826294       1.419767  2.387682       1.017645  193.7897 51.06228 178.6772 41.10129 15.11252       65.54900 
1 1 1 5  18 5  o 596.3136 14.31184 25.21347       1.207786  27.08302       2.236442  24.44371       1.435048  616.0939 25.70669 586.6094 17.30505 29.48450       30.98869 
1 1 1 5  18 7  o 285.2938 19.40234 5.805764       0.7787076 6.260151       1.743860  5.692593       0.8702954 291.8765 43.54792 282.1658 21.96725 9.710663       48.77480 
1 1 1 5  18 9  o 421.3631 25.41624 12.67141       1.508564  12.15224       1.914924  13.52070       2.449207  411.3588 33.17474 432.5663 40.47871 -21.20749      52.33630 
1 1 1 5  18 11 o 272.8199 39.06353 5.423019       1.465241  3.749794       1.970619  7.491827       2.191218  223.8277 60.69481 319.1439 50.16897 -95.31622      78.74506 
1 1 1 5  18 13 o 156.3666 23.98214 1.775710       0.5137953 1.742245       0.5285305 2.350897       2.191185  154.6912 24.99452 189.7980 66.29626 -35.10680      70.85140 
1 1 1 5  18 15 f 632.1682 16.32290 28.34520       1.459105  28.50422       1.636037  27.72697       3.225783  633.7529 18.26024 622.2372 36.79618 11.51575       41.07791 
1 1 1 5  18 17 o 415.0345 21.73741 12.26921       1.272317  12.47422       1.445092  11.56235       2.683324  418.1255 24.52905 397.5850 48.70562 20.54050       54.53358 
1 1 1 5  18 19 o 212.2257 43.16402 3.359389       1.252209  3.459913       1.432777  3.034274       2.576702  214.5256 48.35375 209.0738 71.95258 5.451797       86.69059 
1 1 1 5  18 21 o 317.6458 35.32907 7.330659       1.561324  6.722655       1.829038  8.963624       2.997490  301.7987 44.12805 342.7688 64.14995 -40.97003      77.86206 
1 1 1 5  18 23 o 282.6803 65.77593 6.244404       2.581738  6.244404       2.581738  0.000000       0.000000  282.6803 65.77593 ?        ?        ?              ?        
1 1 1 5  18 25 o 271.5297 50.51218 5.661250       1.869616  5.803232       2.193657  5.284317       3.574237  271.6333 58.77449 253.7737 84.76839 17.85968       103.1510 
1 1 1 5  18 27 o 213.2468 61.08907 3.692979       1.938038  3.299661       2.227360  4.918811       3.932185  202.8252 66.89045 240.8944 88.25682 -38.06918      110.7411 
1 1 1 5  18 29 o 251.4848 56.79591 5.195360       1.973447  4.575100       2.306803  6.888322       3.811075  230.5860 66.83074 267.8392 87.45152 -37.25316      110.0641 
1 1 1 5  18 31 o 118.2876 56.19873 -1.943534      2.553658  -4.196753      3.659233  0.1956423      3.565428  127.2427 62.10149 158.3353 72.14616 -31.09263      95.19276 
1 1 1 5  18 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  18 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  19 0  o 268.4999 33.73344 5.364121       1.227024  5.364121       1.227024  5.364121       1.227024  268.4999 33.73344 268.4999 33.73344 -0.000000      0.000000 
1 1 1 5  19 2  o 343.5692 20.62670 8.416799       0.9982963 6.786801       1.608237  9.438572       1.273310  305.3097 38.04428 363.2930 24.91695 -57.98328      45.47771 
1 1 1 5  19 4  o 71.21627 32.96639 -0.6548440     0.7859392 1.487630       1.474676  -1.504833      0.9288501 152.8956 54.30369 66.61010 32.22479 86.28551       63.14529 
1 1 1 5  19 6  o 528.2444 15.91269 19.80405       1.188236  19.62919       2.165519  19.87938       1.421310  524.0408 29.31648 528.9124 19.01923 -4.871582      34.94549 
1 1 1 5  19 8  o 574.6266 21.95185 23.47873       1.781875  24.45754       2.294256  21.99069       2.828774  585.6597 27.75970 553.7281 36.29803 31.93164       45.69626 
1 1 1 5  19 10 f 178.9507 49.90860 2.368235       1.311403  3.067051       1.644007  1.145620       2.174539  202.9922 55.59990 163.0170 64.18645 39.97527       84.91907 
1 1 1 5  19 12 o 628.2732 22.59413 28.05218       2.005655  30.13149       2.629346  25.15874       3.101660  650.3379 28.63882 592.7005 37.16470 57.63739       46.91905 
1 1 1 5  19 14 f 449.2624 12.21287 14.30707       0.7757727 14.49778       0.8094263 12.15560       2.718654  452.2197 12.66006 408.6276 47.92121 43.59213       49.56530 
1 1 1 5  19 16 o 755.9420 16.34860 40.52913       1.748996  39.23649       1.941006  46.11007       4.033116  743.5558 18.44563 802.0975 35.61872 -58.54163      40.11153 
1 1 1 5  19 18 o 304.8909 29.50971 6.697635       1.257396  7.883657       1.439583  2.881328       2.582331  330.7050 31.12526 205.6411 71.96085 125.0639       78.40373 
1 1 1 5  19 20 o 236.5738 41.93408 4.157818       1.352561  4.567297       1.528885  2.683383       2.901159  247.3599 45.34478 205.2693 75.70610 42.09065       88.24717 
1 1 1 5  19 22 o 410.3495 43.01835 12.37653       2.461111  12.37653       2.461111  0.000000       0.000000  410.3495 43.01835 ?        ?        ?              ?        
1 1 1 5  19 24 o 202.7011 58.40224 3.211542       1.766474  3.475047       2.076282  2.520877       3.361447  210.3860 64.02118 203.2058 79.86649 7.180222       102.3590 
1 1 1 5  19 26 o 168.9440 61.93023 2.002548       1.936580  2.014011       2.353363  1.978502       3.408343  175.3606 67.40689 190.5574 78.44167 -15.19678      103.4253 
1 1 1 5  19 28 o 177.2743 60.72871 2.484364       1.834922  2.814177       2.125092  1.517968       3.637652  187.2169 65.29581 182.7800 78.43222 4.436920       102.0547 
1 1 1 5  19 30 o 202.3899 59.11570 3.571348       1.798684  2.333183       2.032160  8.050035       3.864952  169.8101 63.22515 274.1670 87.95012 -104.3569      108.3173 
1 1 1 5  19 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  19 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  20 1  o 357.1717 21.06100 9.090739       1.059849  9.153000       1.703104  9.051389       1.353962  356.3748 34.18750 355.5772 27.11061 0.7975464      43.63222 
1 1 1 5  20 3  o 155.6340 40.35163 1.800230       0.8960832 0.2294947      1.548572  2.590925       1.098713  124.8811 52.26241 186.4058 42.58435 -61.52475      67.41502 
1 1 1 5  20 5  o 424.6890 19.56497 12.82465       1.172739  11.72255       1.998382  13.40357       1.448363  403.6993 35.33430 433.7080 23.68711 -30.00864      42.53930 
1 1 1 5  20 7  o 133.0964 37.15588 1.301085       0.7264657 3.893461       1.908931  0.8620556      0.7855759 227.7350 58.81949 115.2338 39.72617 112.5012       70.97816 
1 1 1 5  20 9  o 188.8834 52.22982 2.645283       1.442973  4.439760       1.828817  -0.3144794     2.348712  243.6178 54.41927 143.1673 62.22934 100.4505       82.66769 
1 1 1 5  20 11 o 313.2265 37.95911 7.104727       1.648358  5.076975       2.176093  9.834537       2.524854  259.8687 60.33241 366.7325 49.94486 -106.8638      78.32298 
1 1 1 5  20 13 o 441.1473 27.59602 13.90133       1.714229  13.65865       2.167085  14.30707       2.802048  435.9345 35.43173 444.1282 45.21036 -8.193726      57.44026 
1 1 1 5  20 15 o 526.8861 12.08176 19.67022       0.9008795 19.22215       0.9387310 24.89259       3.204821  520.8116 12.73622 587.8303 38.74002 -67.01868      40.77990 
1 1 1 5  20 17 o 385.0201 22.70487 10.58418       1.231658  10.31226       1.365101  11.77455       2.856213  379.5683 25.56201 399.1293 51.78551 -19.56100      57.75080 
1 1 1 5  20 19 o 243.2358 39.03903 4.367298       1.298385  3.536165       1.456562  7.582604       2.864870  216.2565 48.76052 313.4058 66.64481 -97.14923      82.57796 
1 1 1 5  20 21 o 163.4264 56.10389 1.852098       1.566304  2.134302       1.799985  0.9719780      3.178762  174.7295 60.13776 179.9631 75.06361 -5.233612      96.18262 
1 1 1 5  20 23 o 193.1550 67.51314 2.734889       2.272581  2.734889       2.272581  0.000000       0.000000  193.1550 67.51314 ?        ?        ?              ?        
1 1 1 5  20 25 o 201.4171 59.39375 3.263701       1.808280  3.456787       2.106035  2.721989       3.527561  206.5161 64.76418 202.9363 81.15298 3.579834       103.8278 
1 1 1 5  20 27 o 157.4365 59.10735 1.716179       1.783587  1.720657       2.057212  1.702622       3.579194  161.8253 62.80305 184.2921 78.40374 -22.46689      100.4558 
1 1 1 5  20 29 o 122.1185 54.23549 -0.5562014E-01 1.874095  -3.124239      2.149604  9.666592       3.826216  97.86086 47.72557 308.1057 84.99310 -210.2449      97.47593 
1 1 1 5  20 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  20 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  21 0  o 361.9171 37.20890 9.601012       1.855684  9.601012       1.855684  9.601012       1.855684  361.9171 37.20890 361.9171 37.20890 0.000000       0.000000 
1 1 1 5  21 2  o 122.4208 43.04579 0.9468476      0.9247542 1.537360       1.550577  0.6208631      1.152066  156.4835 55.67280 119.6824 46.84037 36.80114       72.75632 
1 1 1 5  21 4  o 259.7951 29.93553 4.866611       1.080521  3.522547       1.736274  5.716166       1.380397  216.8413 56.14260 280.8755 35.52020 -64.03418      66.43550 
1 1 1 5  21 6  o 461.3668 16.67333 15.10832       1.086860  14.17540       2.083876  15.45693       1.273839  444.7840 33.34853 466.4215 19.34013 -21.63757      38.55081 
1 1 1 5  21 8  o 396.3239 15.72037 11.14940       0.8799753 11.64203       2.103855  11.04494       0.9687905 402.1485 37.39510 394.3203 17.40332 7.828156       41.24644 
1 1 1 5  21 10 o 143.6245 54.58417 1.068636       1.531747  -1.805588      2.030974  4.860174       2.332661  112.6091 52.42331 253.6388 64.76711 -141.0297      83.32456 
1 1 1 5  21 12 o 212.6647 50.66318 3.395076       1.502949  3.096307       1.912536  3.877497       2.430270  204.6491 61.26559 228.3895 69.21564 -23.74036      92.43526 
1 1 1 5  21 14 o 219.4137 52.41557 3.635491       1.605221  3.555776       2.059039  3.759013       2.563098  217.3619 63.18145 225.4834 71.54454 -8.121506      95.44902 
1 1 1 5  21 16 o 424.0269 14.41978 12.76748       0.8640515 12.60234       0.9023188 14.59145       2.998777  421.1942 15.16237 445.8103 48.30140 -24.61612      50.62532 
1 1 1 5  21 18 o 214.5912 41.45854 3.438632       1.213483  2.710760       1.322917  7.300101       3.047063  189.2391 49.01111 305.3894 71.73157 -116.1503      86.87639 
1 1 1 5  21 20 o 224.1873 47.95521 3.819862       1.475454  2.414222       1.653906  9.299465       3.265490  180.5379 57.49302 344.0609 69.46075 -163.5230      90.16786 
1 1 1 5  21 22 f 117.1145 54.30561 -1.523218      2.146428  -1.523218      2.146428  0.000000       0.000000  117.1145 54.30561 ?        ?        ?              ?        
1 1 1 5  21 24 f 358.0835 37.32821 9.552273       1.863910  10.10905       2.182390  8.051244       3.583334  365.5711 43.00500 301.5659 81.87495 64.00522       92.48209 
1 1 1 5  21 26 f 109.4148 50.23956 -0.8990353     1.773270  -1.218091      2.042524  0.7745966E-01  3.573293  114.3482 53.00624 165.1972 74.02385 -50.84904      91.04500 
1 1 1 5  21 28 o 237.7464 54.44711 4.754879       1.792415  4.853603       2.059417  4.446477       3.639923  235.4650 61.23481 214.8536 83.49528 20.61145       103.5431 
1 1 1 5  21 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  21 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  22 1  o 223.7860 34.83485 3.654476       1.067342  3.682720       1.680333  3.635373       1.381941  221.7034 54.05162 221.2172 45.65635 0.4861603      70.75366 
1 1 1 5  22 3  o 250.0514 32.71531 4.529244       1.129972  4.097375       1.800136  4.810060       1.451578  233.7571 55.28783 256.1475 41.45918 -22.39041      69.10577 
1 1 1 5  22 5  o 123.3425 43.30811 0.9631003      0.9358284 0.3375367E-01  1.904031  1.259111       1.074580  133.9718 57.09666 137.2673 46.48351 -3.295471      73.62571 
1 1 1 5  22 7  o 288.9955 23.02455 5.968761       0.9338967 5.351108       1.872577  6.173247       1.077455  268.3041 51.18364 293.5144 26.21444 -25.21030      57.50619 
1 1 1 5  22 9  o 253.1113 49.39211 4.771764       1.705711  5.862652       2.517289  3.845702       2.319332  277.8901 65.14813 227.1068 67.34137 50.78325       93.69706 
1 1 1 5  22 11 o 152.8815 54.92932 1.456947       1.513268  2.639837       1.857909  -0.8745128     2.608351  191.1594 60.94248 142.7611 63.65761 48.39832       88.12649 
1 1 1 5  22 13 o 124.0338 51.68465 0.2899350      1.504881  0.2475225      1.928579  0.3559602      2.406275  137.5910 57.99747 153.7391 64.79261 -16.14815      86.95855 
1 1 1 5  22 15 f 262.0413 48.74990 5.145713       1.741336  3.949047       2.209436  7.107797       2.829135  227.4045 65.25216 303.2416 67.64545 -75.83711      93.98804 
1 1 1 5  22 17 o 313.2946 18.93582 7.005335       0.8356503 7.036056       0.8693361 6.631819       3.031297  313.8775 19.66964 289.9026 73.72729 23.97488       76.30602 
1 1 1 5  22 19 o 86.56205 40.80086 -1.364264      1.296407  -0.2727020     1.424758  -6.616909      3.125401  109.0494 47.90771 109.9286 54.37701 -0.8791962     72.47074 
1 1 1 5  22 21 f 151.5879 55.00636 1.520065       1.522152  1.884475       1.743770  0.3535375      3.119905  165.0740 59.00541 166.4890 72.04671 -1.414978      93.12554 
1 1 1 5  22 23 o 117.8888 54.62211 -1.358610      2.165164  -1.358610      2.165164  0.000000       0.000000  117.8888 54.62211 ?        ?        ?              ?        
1 1 1 5  22 25 o 276.8208 45.82189 5.988875       1.732366  6.115221       1.981224  5.578584       3.570260  275.7986 52.68043 244.4378 84.67025 31.36081       99.72101 
1 1 1 5  22 27 f 112.2574 50.75063 -0.4265710     1.722394  -0.3181276     2.013947  -0.7218980     3.323519  122.3565 55.13729 147.2405 68.02903 -24.88400      87.56751 
1 1 1 5  22 29 o 161.3849 68.39204 1.820397       2.705477  4.125762       3.815326  -0.5112483     3.837010  198.4636 82.46427 150.8797 70.82759 47.58397       108.7056 
1 1 1 5  22 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  23 0  o 154.1904 70.99393 2.487771       1.699603  2.487771       1.699603  2.487771       1.699603  154.1904 70.99393 154.1904 70.99393 -0.000000      0.000000 
1 1 1 5  23 2  o 113.7555 45.85810 0.4252273      1.136028  1.103131       1.741083  -0.7734124E-01 1.499109  150.2126 57.91653 117.0407 50.28858 33.17190       76.70245 
1 1 1 5  23 4  o 106.3864 43.30921 0.3214267      1.024641  0.5896109      1.807966  0.1945305      1.243649  140.9953 57.48020 112.4042 46.92303 28.59109       74.20070 
1 1 1 5  23 6  o 141.7306 42.53659 1.457760       0.9210680 4.396142       1.980140  0.6464502      1.040484  241.1714 58.60069 116.1874 44.77906 124.9840       73.75097 
1 1 1 5  23 8  o 314.4018 21.14043 7.054803       0.9351620 5.891786       2.217181  7.306473       1.031393  279.4174 57.97141 319.7469 22.94537 -40.32941      62.34721 
1 1 1 5  23 10 o 98.93674 45.74355 -1.184067      1.506560  -2.652944      1.916544  1.191524       2.437317  99.02686 47.49355 168.9340 67.48976 -69.90717      82.52578 
1 1 1 5  23 12 o 187.7812 55.47221 2.632546       1.576206  3.823938       1.981819  0.5815768      2.600257  223.8752 60.93381 162.2452 67.79807 61.62996       91.15649 
1 1 1 5  23 14 o 119.6241 52.29546 -0.2653164     1.679137  -0.2707908     2.144581  -0.2566436     2.699305  135.5262 59.17698 152.2564 66.43817 -16.73022      88.97160 
1 1 1 5  23 16 o 272.9871 51.99743 5.649251       1.935496  5.332198       2.464688  6.159325       3.126168  261.0746 66.52622 278.1667 76.86089 -17.09207      101.6530 
1 1 1 5  23 18 o 271.3263 33.14064 5.389690       1.246165  6.379202       1.356612  0.4428238E-01  3.153084  295.5364 32.99824 165.5065 72.01890 130.0298       79.21872 
1 1 1 5  23 20 o 303.7174 34.33797 6.798129       1.450070  6.977800       1.614128  6.046602       3.301190  306.4037 38.04073 267.0376 80.61500 39.36615       89.13964 
1 1 1 5  23 22 o 177.8864 64.23266 2.351771       2.072326  2.351771       2.072326  0.000000       0.000000  177.8864 64.23266 ?        ?        ?              ?        
1 1 1 5  23 24 o 125.1949 53.14243 0.3941088      1.638019  1.194506       1.888121  -2.041046      3.293368  147.1951 59.19682 138.9215 65.34092 8.273590       88.16858 
1 1 1 5  23 26 o 154.1290 64.03780 1.349585       2.300520  4.875226       2.995580  -3.719295      3.591847  224.1820 77.56194 129.6557 62.87790 94.52629       99.84731 
1 1 1 5  23 28 o 103.1050 49.64230 -2.156635      2.141105  -2.590714      2.848550  -1.592891      3.246237  117.2999 56.67084 132.6820 63.13028 -15.38202      84.83523 
1 1 1 5  23 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  24 1  o 107.6031 47.46563 -0.3828941     1.411897  0.4167446      1.741800  -1.915021      2.411008  135.0932 55.88842 124.3993 57.63905 10.69392       80.28558 
1 1 1 5  24 3  o 161.3198 49.35408 1.891628       1.231743  2.514413       1.921981  1.457562       1.604567  188.5150 62.13442 154.9735 56.44041 33.54149       83.94169 
1 1 1 5  24 5  o 95.79057 41.19406 -0.6208140E-01 1.007585  0.8971675      1.934158  -0.4193632     1.180407  150.4076 60.11021 96.56693 42.95616 53.84063       73.88145 
1 1 1 5  24 7  f 101.9340 41.84913 0.2613302      0.9667773 1.991294       1.977657  -0.2819062     1.108222  175.5998 62.83000 95.76342 42.15507 79.83634       75.66148 
1 1 1 5  24 9  o 200.7200 61.25802 3.005328       1.899088  -1.406237      2.667801  7.537410       2.703996  137.5009 62.55739 314.0713 63.02890 -176.5704      88.80355 
1 1 1 5  24 11 o 226.0173 55.28972 3.898652       1.753700  1.192075       2.205617  8.550782       2.891652  162.5417 64.44130 334.3281 63.43581 -171.7863      90.42557 
1 1 1 5  24 13 o 126.1952 54.19973 0.2990639E-03  1.740016  -0.8969018     2.201299  1.494427       2.840718  128.3031 57.74590 181.7186 72.77193 -53.41545      92.89964 
1 1 1 5  24 15 o 177.1736 61.99025 2.169211       1.916269  0.1204197      2.450703  5.392776       3.074043  149.5627 64.28067 260.3353 77.60988 -110.7726      100.7735 
1 1 1 5  24 17 o 101.4226 48.45914 -2.420339      1.954616  -0.7624205     2.596529  -4.588487      2.969313  140.5173 63.02230 116.9031 56.80382 23.61420       84.84388 
1 1 1 5  24 19 o 88.67707 40.84791 -0.8044251     1.185370  -0.7156429     1.275627  -1.366043      3.208347  94.15813 42.99942 147.6997 67.72911 -53.54156      80.22582 
1 1 1 5  24 21 f 199.5997 50.42076 3.179157       1.424477  2.933785       1.569520  4.325697       3.392729  190.8296 55.07117 225.4286 82.07467 -34.59895      98.83868 
1 1 1 5  24 23 o 163.2931 62.62790 1.869145       2.028378  1.869145       2.028378  0.000000       0.000000  163.2931 62.62790 ?        ?        ?              ?        
1 1 1 5  24 25 o 116.8798 53.67556 -0.7320668     2.025196  -1.753017      2.662184  0.6703513      3.120142  123.0407 58.13830 157.2856 69.90979 -34.24488      90.92547 
1 1 1 5  24 27 o 149.8216 62.34306 1.537352       2.185119  0.2707200      2.806974  3.485530       3.481188  141.5800 64.31725 187.4877 78.40352 -45.90765      101.4092 
1 1 1 5  24 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  25 0  o 137.8499 80.77493 1.701220       2.644528  1.701220       2.644528  1.701220       2.644528  137.8499 80.77493 137.8499 80.77493 0.000000       0.000000 
1 1 1 5  25 2  o 251.2761 44.62936 4.697689       1.528915  5.272574       1.985714  3.860654       2.396060  263.8639 54.96320 226.0792 68.77039 37.78471       88.03589 
1 1 1 5  25 4  o 221.0342 38.44413 3.614059       1.158924  5.545669       2.134209  2.806286       1.380136  269.9292 57.62280 192.7321 50.13229 77.19707       76.37823 
1 1 1 5  25 6  o 336.9979 25.11687 8.143060       1.189263  8.679388       2.338380  7.955932       1.381239  341.7469 49.81388 332.2122 29.69142 9.534760       57.99141 
1 1 1 5  25 8  o 138.9253 44.11923 1.381941       0.9745095 4.817671       2.709835  0.8716124      1.044379  249.2350 72.49207 122.7002 45.39258 126.5348       85.53120 
1 1 1 5  25 10 o 171.6902 59.51522 2.020835       1.764126  1.607912       2.280285  2.636421       2.784193  172.0426 66.29460 201.5523 74.19392 -29.50964      99.49729 
1 1 1 5  25 12 o 157.7645 59.82138 1.421108       1.837238  0.4742610      2.298196  3.097704       3.058168  151.1023 63.47970 213.2123 77.87755 -62.10997      100.4718 
1 1 1 5  25 14 o 143.6767 59.07426 0.6716467      1.930108  0.8696013E-01  2.442721  1.643351       3.149049  148.2515 63.95079 188.0985 76.16294 -39.84698      99.45098 
1 1 1 5  25 16 o 100.1165 47.85552 -2.358037      1.910569  0.2071370      2.522569  -5.809309      2.926000  150.7190 65.00121 107.7959 53.19052 42.92315       83.99041 
1 1 1 5  25 18 o 175.3070 63.76490 2.204928       2.047142  1.591904       2.654672  3.104302       3.215454  172.7283 69.93298 206.1758 78.90813 -33.44756      105.4377 
1 1 1 5  25 20 o 91.22223 41.80334 -0.6912026     1.219526  -0.3255890     1.339628  -2.460322      2.946806  102.3657 45.63441 128.2818 60.77864 -25.91610      76.00357 
1 1 1 5  25 22 o 110.5988 56.52526 -19.21444      5.306660  -19.21444      5.306660  0.000000       0.000000  110.5988 56.52526 ?        ?        ?              ?        
1 1 1 5  25 24 o 140.3975 59.49675 0.8831124      2.047408  -1.291340      2.763569  3.528652       3.048263  128.9987 60.41288 196.1174 76.35381 -67.11868      97.36334 
1 1 1 5  25 26 f 107.1554 50.83051 -1.438236      2.073161  -3.306710      2.687711  1.306558       3.257571  107.9154 52.78741 158.0783 70.76762 -50.16292      88.28684 
1 1 1 5  25 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  25 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  26 1  o 145.6360 56.66956 1.042141       1.678444  -1.885255      2.968105  2.418364       2.035087  140.8324 64.78705 186.1319 63.94904 -45.29951      91.03209 
1 1 1 5  26 3  o 267.9545 34.57172 5.243841       1.280477  6.566712       2.299444  4.649238       1.541622  293.6234 57.39467 249.2899 45.36798 44.33340       73.16012 
1 1 1 5  26 5  o 105.1678 44.52909 0.9031972E-01  1.145202  1.032894       2.275469  -0.2294136     1.325278  160.8197 64.87675 106.1728 46.43623 54.64690       79.78293 
1 1 1 5  26 7  o 120.6348 48.58537 0.5311170      1.273857  0.5062089      3.013901  0.5365344      1.405576  170.1472 72.14869 125.3358 50.83505 44.81137       88.25891 
1 1 1 5  26 9  o 176.5543 29.83981 2.295890       0.7190389 6.748256       2.573558  1.918903       0.7488613 294.4795 63.61483 160.2746 34.06620 134.2048       72.16199 
1 1 1 5  26 11 o 135.4906 57.78088 0.1768350      1.952139  3.650789       2.567001  -4.587617      3.006218  218.8370 71.79146 118.5189 57.48802 100.3181       91.97220 
1 1 1 5  26 13 o 210.5341 62.75663 3.468399       2.010080  6.994442       2.582160  -1.954523      3.202256  297.4765 63.28239 144.1007 66.64822 153.3758       91.90564 
1 1 1 5  26 15 o 219.3750 63.10235 3.869269       2.063843  4.727306       2.697275  2.657417       3.205510  239.3627 72.99596 200.9173 78.27687 38.44539       107.0312 
1 1 1 5  26 17 o 120.3478 54.50796 -0.7058552     1.997722  -0.7394122     2.613139  -0.6586595     3.099003  137.5907 62.32695 150.2859 67.99610 -12.69521      92.23946 
1 1 1 5  26 19 o 162.5566 62.52894 1.794092       2.026070  -2.546442      2.659051  7.802250       3.128424  119.3379 56.88088 295.6471 74.74228 -176.3092      93.92467 
1 1 1 5  26 21 f 163.3607 69.39307 1.315149       2.796429  6.405838       5.742640  -0.2672278     3.201682  242.9338 101.0756 151.1189 68.66631 91.81493       122.1938 
1 1 1 5  26 23 o 132.2977 65.81483 -7.205153      4.833897  -7.205153      4.833897  0.000000       0.000000  132.2977 65.81483 ?        ?        ?              ?        
1 1 1 5  26 25 f 114.3892 53.10877 -0.6827785     2.062734  -1.953305      2.808287  0.8058009      3.039734  119.5611 57.38086 148.9043 67.35963 -29.34319      88.48663 
1 1 1 5  26 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  26 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  27 0  o 85.06973 58.09971 -1.241585      2.185668  -1.241585      2.185668  -1.241585      2.185668  85.06973 58.09971 85.06973 58.09971 0.000000       0.000000 
1 1 1 5  27 2  o 228.0278 56.02325 4.005691       1.794691  -2.123456      3.423774  6.327857       2.107423  150.1376 69.25335 288.5254 53.58378 -138.3878      87.56282 
1 1 1 5  27 4  o 111.5769 47.41484 0.9137781E-01  1.306455  3.442446       2.466898  -1.214856      1.540175  214.0993 70.38522 99.31249 46.03375 114.7868       84.10223 
1 1 1 5  27 6  o 85.00362 39.99016 -1.266907      1.234858  -0.5111529     2.550207  -1.498379      1.411352  143.3357 63.48327 90.05453 42.48497 53.28117       76.38782 
1 1 1 5  27 8  o 113.0062 42.41627 0.7156537      0.9183746 0.2951523      2.588473  0.7762085      0.9822771 155.1573 66.36127 117.0866 43.88400 38.07063       79.55894 
1 1 1 5  27 10 o 171.0084 64.98807 1.780167       2.171238  0.4119201      2.797943  3.851409       3.442486  161.1542 68.96180 227.6491 82.70515 -66.49486      107.6841 
1 1 1 5  27 12 o 191.2232 64.52449 2.770659       2.070518  6.675466       2.748506  -2.352953      3.148365  286.0704 68.74667 137.9557 64.56694 148.1146       94.31328 
1 1 1 5  27 14 o 143.5476 60.09065 0.6600071      2.048072  1.228737       2.544323  -0.3867744     3.451812  164.4416 67.74099 162.0086 72.66250 2.433029       99.34123 
1 1 1 5  27 16 o 121.3455 54.98277 -0.6633661     2.035227  -3.697105      2.647086  3.722875       3.182916  110.6831 53.74722 212.3242 79.11265 -101.6411      95.64295 
1 1 1 5  27 18 o 114.5555 52.98727 -1.091159      2.024619  -0.9573767     2.709478  -1.260300      3.046560  134.8008 61.97134 139.6276 64.72866 -4.826797      89.61165 
1 1 1 5  27 20 o 134.3214 57.87744 0.4995436      1.996475  -2.201468      2.701224  3.751424       2.963907  120.8490 57.52486 203.3951 76.22987 -82.54608      95.49923 
1 1 1 5  27 22 f 165.4052 78.64945 -0.5754528     5.022180  -0.5754528     5.022180  0.000000       0.000000  165.4052 78.64945 ?        ?        ?              ?        
1 1 1 5  27 24 o 110.0161 51.68057 -0.9928980     2.048984  0.5714291      2.818104  -2.747350      2.984447  142.1788 64.53223 116.7330 56.77305 25.44584       85.95109 
1 1 1 5  27 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  27 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  28 1  o 144.0451 55.84131 1.087717       1.625044  0.5681661      2.312449  1.594621       2.284132  152.0650 63.76685 170.0837 66.12931 -18.01872      91.86565 
1 1 1 5  28 3  o 112.8055 51.10418 -0.8250675     1.757286  2.231033       4.025078  -1.544755      1.953271  210.4402 85.77483 110.7496 51.50795 99.69059       100.0519 
1 1 1 5  28 5  o 86.18825 40.80268 -1.470623      1.323058  -2.118940      2.552993  -1.232570      1.547008  124.3444 58.17891 98.89625 45.94211 25.44815       74.13139 
1 1 1 5  28 7  o 169.7307 54.27373 2.158520       1.472681  0.7778485      3.172806  2.537657       1.662632  173.8925 73.89306 182.5506 57.58478 -8.658066      93.68133 
1 1 1 5  28 9  o 75.23928 35.19950 -0.8686064     0.9341025 -0.8854563     2.854763  -0.8665860     0.9885184 144.6675 65.37634 78.16037 36.44875 66.50713       74.85036 
1 1 1 5  28 11 o 93.55582 45.88832 -3.748452      2.073588  -5.309332      2.555341  -0.7388490     3.548287  98.89129 48.96243 160.7353 72.73771 -61.84400      87.68178 
1 1 1 5  28 13 o 140.3922 59.59482 0.5344510      2.060021  -0.3816535     2.663035  1.899467       3.250673  142.4948 63.87332 184.3870 76.32211 -41.89218      99.52319 
1 1 1 5  28 15 f 177.1364 64.74350 2.424616       2.114152  5.613324       2.769612  -2.027709      3.272691  250.1865 73.43320 138.5365 65.15224 111.6500       98.16949 
1 1 1 5  28 17 o 116.2793 53.01355 -0.6548737     1.928648  -0.1055752     2.572700  -1.359649      2.914139  140.0876 62.78851 134.3968 62.64289 5.690796       88.69345 
1 1 1 5  28 19 o 123.0102 54.83668 -0.6371213E-01 1.934290  -1.132364      2.659970  1.135564       2.817852  128.4265 59.85633 157.8283 68.38424 -29.40178      90.88006 
1 1 1 5  28 21 o 163.5859 77.68826 -0.1025956     4.870139  -0.1025956     4.870139  0.000000       0.000000  163.5859 77.68826 ?        ?        ?              ?        
1 1 1 5  28 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  28 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  28 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  29 0  f 79.55872 55.95969 -2.531147      2.451291  -2.531147      2.451291  -2.531147      2.451291  79.55872 55.95969 79.55872 55.95969 -0.000000      0.000000 
1 1 1 5  29 2  o 179.5049 59.39852 2.427192       1.755890  0.7912682      2.546784  3.909371       2.424157  159.5595 66.91540 220.8959 69.51305 -61.33640      96.48696 
1 1 1 5  29 4  o 94.24435 45.54797 -2.691925      1.844086  -5.702734      3.896077  -1.822673      2.093432  132.6439 64.59149 111.5730 52.35689 21.07088       83.14629 
1 1 1 5  29 6  o 143.2630 54.38791 1.237051       1.519747  0.7041383      3.602722  1.352406       1.676179  178.5352 77.33999 149.5497 57.03665 28.98549       96.09710 
1 1 1 5  29 8  f 114.3552 45.01978 0.6387449      1.069625  3.316830       2.758969  0.1650155      1.160379  205.6028 74.13074 105.6640 44.78489 99.93887       86.60862 
1 1 1 5  29 10 o 159.8668 35.75411 1.958865       0.7886164 4.721852       2.688637  1.698780       0.8248988 233.4855 73.16930 148.2925 38.84878 85.19299       82.84307 
1 1 1 5  29 12 o 131.5792 57.22779 0.1923998      1.988900  0.1186809E-01  2.507909  0.4983852      3.265016  142.0467 62.93132 163.5378 72.15824 -21.49112      95.74530 
1 1 1 5  29 14 o 115.6251 53.15565 -0.8830326     1.993422  -1.146523      2.603426  -0.5096362     3.099189  129.4830 59.95982 147.2609 67.16308 -17.77786      90.03365 
1 1 1 5  29 16 o 148.9349 60.98915 1.292691       2.046675  1.700036       2.645992  0.6859775      3.229232  165.0146 68.62908 159.9426 71.10429 5.071976       98.82191 
1 1 1 5  29 18 o 133.8949 57.01211 0.7599070      1.895375  -2.298451      2.469208  5.146732       2.957254  111.9311 53.74157 223.8599 77.08135 -111.9288      93.96644 
1 1 1 5  29 20 o 141.0180 59.33092 1.280034       2.012280  1.782712       2.787790  0.7332299      2.907575  157.3926 68.10722 145.7832 65.92005 11.60938       94.78421 
1 1 1 5  29 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  29 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  30 1  o 127.1757 54.76982 0.1722399      1.786039  2.863147       2.585403  -2.284227      2.470213  194.3294 71.50283 117.7309 55.74054 76.59850       90.66235 
1 1 1 5  30 3  o 100.2411 47.27960 -1.633558      1.746014  -3.453617      2.652128  -0.2412719     2.319616  113.2008 54.68839 135.9130 60.35160 -22.71220      81.44406 
1 1 1 5  30 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  30 7  o 120.4392 52.47203 0.4206371E-01  1.678088  -1.762142      4.434346  0.3436290      1.812914  164.1496 76.76156 129.6929 55.50505 34.45676       94.72671 
1 1 1 5  30 9  o 101.4691 42.46533 0.2651524      1.022431  0.6737630      2.517449  0.1844394      1.118864  150.8786 65.00153 103.2893 43.88541 47.58936       78.42913 
1 1 1 5  30 11 o 173.4586 63.52218 2.377014       2.036639  0.8747620      2.486128  5.442131       3.551204  151.9151 65.00683 236.3602 84.23560 -84.44510      106.4026 
1 1 1 5  30 13 o 104.4759 49.54434 -1.719007      1.966663  -1.073322      2.440647  -2.914487      3.320977  124.6793 57.84606 129.5438 62.23108 -4.864479      84.96395 
1 1 1 5  30 15 o 100.3162 47.65285 -1.620035      1.834607  -1.012164      2.374677  -2.520028      2.889474  122.1184 56.79464 121.0983 58.14104 1.020096       81.27737 
1 1 1 5  30 17 o 89.69359 44.05933 -3.055444      1.934058  -2.543652      2.562271  -3.733191      2.948576  110.7869 53.57859 111.7414 54.79012 -0.9545059     76.63304 
1 1 1 5  30 19 o 141.2574 58.34354 1.486116       1.893996  4.174852       2.675878  -1.213245      2.681160  193.2228 72.42839 120.8041 57.44872 72.41872       92.44580 
1 1 1 5  30 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  30 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  31 0  o 80.50552 56.83260 -2.659777      2.602415  -2.659777      2.602415  -2.659777      2.602415  80.50552 56.83260 80.50552 56.83260 0.000000       0.000000 
1 1 1 5  31 2  o 115.3807 51.83557 -0.4044912     1.764727  -1.554085      2.543023  0.6633430      2.450925  124.4800 58.18456 149.1862 64.20325 -24.70622      86.64584 
1 1 1 5  31 4  f 187.8865 59.13958 2.945612       1.754525  4.733770       2.623298  1.498304       2.360071  229.0595 72.34253 160.5093 65.58289 68.55013       97.64506 
1 1 1 5  31 6  f 131.1469 55.76137 0.5230930      1.808581  -6.269886      4.040859  2.224758       2.022463  126.7151 62.52256 169.8386 63.10515 -43.12345      88.83316 
1 1 1 5  31 8  o 108.7276 47.20831 0.8179646E-01  1.348643  0.000000       0.000000  0.8179646E-01  1.348643  ?        ?        108.7276 47.20831 ?              ?        
1 1 1 5  31 10 o 72.00439 33.83428 -0.8031175     0.8793287 -1.858613      3.126723  -0.7124685     0.9163107 132.8858 62.85505 75.42557 35.14634 57.46022       72.01405 
1 1 1 5  31 12 f 100.1731 48.65258 -2.800792      2.171693  -3.114402      2.793890  -2.322064      3.451901  114.4698 55.49971 134.2564 64.21519 -19.78655      84.87525 
1 1 1 5  31 14 o 153.7658 62.70588 1.714556       2.152453  1.050988       2.784107  2.700494       3.393656  151.7976 66.81878 178.8887 76.23275 -27.09106      101.3715 
1 1 1 5  31 16 o 148.5192 59.05054 1.799621       1.857087  2.640983       2.397722  0.5381888      2.935887  167.6045 66.94579 143.0520 65.29180 24.55258       93.51341 
1 1 1 5  31 18 o 120.7970 54.11808 0.3433473      1.908912  -1.588931      2.506803  3.010317       2.945062  112.6427 54.10038 168.6111 71.40083 -55.96841      89.58197 
1 1 1 5  31 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  31 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  32 1  o 122.8232 53.98549 0.9543823E-01  1.811232  2.205710       2.547266  -2.062568      2.575914  172.5034 68.96851 118.6281 56.38420 53.87521       89.08329 
1 1 1 5  32 3  o 140.9172 57.29019 1.131428       1.790139  -0.8301937     2.553010  3.028717       2.510797  129.7475 59.83150 187.4976 70.18416 -57.75005      92.22594 
1 1 1 5  32 5  o 144.9499 59.05776 1.249211       1.907224  -0.6216747     3.456972  2.067836       2.286730  149.3765 69.14439 166.1537 65.69713 -16.77719      95.37851 
1 1 1 5  32 7  o 125.4661 55.24928 0.1811876      1.905150  0.000000       0.000000  0.1811876      1.905150  ?        ?        125.4661 55.24928 ?              ?        
1 1 1 5  32 9  o 87.13934 40.82359 -0.9503950     1.263797  0.000000       0.000000  -0.9503950     1.263797  ?        ?        87.13934 40.82359 ?              ?        
1 1 1 5  32 11 o 101.4170 49.57250 -3.149573      2.357553  -3.916350      3.092647  -2.085831      3.642621  114.0765 55.97140 136.0268 65.30100 -21.95027      86.00592 
1 1 1 5  32 13 o 73.81642 37.46968 -6.451001      2.039304  -6.824244      2.697914  -5.953488      3.114831  89.36332 45.10009 102.2727 51.17865 -12.90939      68.21490 
1 1 1 5  32 15 o 137.0326 59.23457 1.206780       2.104322  -0.6839907     2.774521  3.767386       3.228791  125.3146 59.25456 178.8824 75.20189 -53.56777      95.74146 
1 1 1 5  32 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  32 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  32 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  33 0  o 93.56148 63.79619 -0.8070422     2.612490  -0.8070422     2.612490  -0.8070422     2.612490  93.56148 63.79619 93.56148 63.79619 0.000000       0.000000 
1 1 1 5  33 2  o 133.2883 55.95451 0.8784668      1.783564  3.790355       2.522014  -2.034928      2.522667  197.9891 70.93913 115.0935 55.00772 82.89558       89.76752 
1 1 1 5  33 4  o 161.4165 61.66399 2.152553       1.961266  3.453558       3.569661  1.590002       2.347298  190.5647 79.51994 154.4617 64.47110 36.10306       102.3716 
1 1 1 5  33 6  o 120.5819 52.77346 0.3106278      1.714200  -2.181099      3.263784  1.259821       2.014413  128.6802 61.78408 143.1284 59.73158 -14.44821      85.93681 
1 1 1 5  33 8  f 172.8009 55.93251 2.697902       1.560827  0.000000       0.000000  2.697902       1.560827  ?        ?        172.8009 55.93251 ?              ?        
1 1 1 5  33 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  33 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  33 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  33 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  33 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  33 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  34 1  o 127.4808 54.65118 0.7716457      1.763063  0.6325499      2.443141  0.9227928      2.546781  137.3140 61.39246 142.5786 63.27867 -5.264572      88.16589 
1 1 1 5  34 3  o 93.80389 45.56166 -2.252512      1.905224  -3.441206      3.324580  -1.671231      2.324848  118.4592 58.10346 109.9797 52.62944 8.479523       78.39560 
1 1 1 5  34 5  f 153.6150 58.49351 2.121754       1.761117  0.7198744      3.028754  2.837846       2.164676  144.1149 65.98087 169.3611 64.76215 -25.24612      92.45329 
1 1 1 5  34 7  o 202.6744 68.66646 4.546310       2.344949  1.483962       2.836892  11.15207       4.166553  148.3183 66.24467 279.1302 91.45752 -130.8119      112.9284 
1 1 1 5  34 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  34 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  34 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  34 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  34 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  35 0  o 168.4723 83.34263 4.045682       2.387793  4.045682       2.387793  4.045682       2.387793  168.4723 83.34263 168.4723 83.34263 -0.000000      0.000000 
1 1 1 5  35 2  o 124.9087 54.96364 0.8160620      1.882307  2.976776       3.089884  -0.4589542     2.373566  162.4503 70.98052 117.6242 55.36956 44.82619       90.02235 
1 1 1 5  35 4  o 259.9910 68.62589 7.547975       2.561559  10.78870       3.304037  2.665328       4.055568  297.0785 77.71237 158.9023 74.00967 138.1761       107.3156 
1 1 1 5  35 6  o 117.9493 55.30158 -0.2253737     2.326982  2.711657       3.038316  -4.392409      3.619031  156.7227 69.35847 112.0324 55.92577 44.69033       89.09708 
1 1 1 5  35 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  35 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  35 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  35 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  35 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  36 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  37 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  37 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  37 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  37 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  37 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  37 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  38 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  38 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5  38 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  0  0  o 4054.025 47.73965 1164.656       27.38103  1164.656       27.38103  1164.656       27.38103  4054.025 47.73965 4054.025 47.73965 -0.000000      0.000000 
1 1 1 6  0  2  o 1131.440 13.51640 90.63835       2.163579  90.63835       2.163579  90.63835       2.163579  1131.440 13.51640 1131.440 13.51640 0.000000       0.000000 
1 1 1 6  0  4  o 198.9305 21.87079 2.901485       0.5967857 2.901485       0.5967857 2.901485       0.5967857 198.9305 21.87079 198.9305 21.87079 0.000000       0.000000 
1 1 1 6  0  6  o 2569.425 26.44924 467.6190       9.615354  467.6190       9.615354  467.6190       9.615354  2569.425 26.44924 2569.425 26.44924 -0.000000      0.000000 
1 1 1 6  0  8  o 3855.583 46.23902 1054.749       25.22190  1054.749       25.22190  1054.749       25.22190  3855.583 46.23902 3855.583 46.23902 0.000000       0.000000 
1 1 1 6  0  10 o 1407.223 23.70289 140.3443       4.717439  140.3443       4.717439  140.3443       4.717439  1407.223 23.70289 1407.223 23.70289 0.000000       0.000000 
1 1 1 6  0  12 o 2433.044 33.20846 419.8910       11.42974  419.8910       11.42974  419.8910       11.42974  2433.044 33.20846 2433.044 33.20846 -0.000000      0.000000 
1 1 1 6  0  14 f 1458.599 25.82499 150.9341       5.327075  150.9341       5.327075  150.9341       5.327075  1458.599 25.82499 1458.599 25.82499 -0.000000      0.000000 
1 1 1 6  0  16 o 682.1467 26.78802 33.16171       2.576982  33.16171       2.576982  33.16171       2.576982  682.1467 26.78802 682.1467 26.78802 -0.000000      0.000000 
1 1 1 6  0  18 o 1404.077 29.02407 140.1564       5.761692  140.1564       5.761692  140.1564       5.761692  1404.077 29.02407 1404.077 29.02407 0.000000       0.000000 
1 1 1 6  0  20 f 494.0542 35.34762 17.60023       2.441829  17.60023       2.441829  17.60023       2.441829  494.0542 35.34762 494.0542 35.34762 0.000000       0.000000 
1 1 1 6  0  22 o 458.1266 38.03679 15.20425       2.425594  15.20425       2.425594  15.20425       2.425594  458.1266 38.03679 458.1266 38.03679 0.000000       0.000000 
1 1 1 6  0  24 o 829.1263 31.87402 49.00143       3.727477  49.00143       3.727477  49.00143       3.727477  829.1263 31.87402 829.1263 31.87402 0.000000       0.000000 
1 1 1 6  0  26 o 1348.049 32.13445 129.3367       6.122638  129.3367       6.122638  129.3367       6.122638  1348.049 32.13445 1348.049 32.13445 -0.000000      0.000000 
1 1 1 6  0  28 o 347.8012 73.25037 9.793211       3.173767  9.793211       3.173767  9.793211       3.173767  347.8012 73.25037 347.8012 73.25037 -0.000000      0.000000 
1 1 1 6  0  30 o 398.5477 70.50193 12.57999       3.605265  12.57999       3.605265  12.57999       3.605265  398.5477 70.50193 398.5477 70.50193 -0.000000      0.000000 
1 1 1 6  0  32 o 1179.289 41.15599 100.6669       6.849686  100.6669       6.849686  100.6669       6.849686  1179.289 41.15599 1179.289 41.15599 0.000000       0.000000 
1 1 1 6  0  34 o 613.6354 53.46303 28.38631       4.558307  28.38631       4.558307  28.38631       4.558307  613.6354 53.46303 613.6354 53.46303 -0.000000      0.000000 
1 1 1 6  0  36 o 182.2317 110.9314 4.426098       5.365655  4.426098       5.365655  4.426098       5.365655  182.2317 110.9314 182.2317 110.9314 -0.000000      0.000000 
1 1 1 6  0  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  1  1  o 1231.724 9.868427 107.3729       1.720209  107.3702       2.434850  107.3757       2.430643  1231.598 13.96958 1231.630 13.94508 -0.3222656E-01 19.73866 
1 1 1 6  1  3  o 1473.518 11.63439 153.6770       2.426157  155.1856       3.236847  151.7428       3.665136  1480.591 15.44782 1463.976 17.69035 16.61572       23.48582 
1 1 1 6  1  5  o 1108.688 9.812452 86.99351       1.539596  85.49706       2.159065  88.54166       2.196043  1099.012 13.88172 1118.410 13.87459 -19.39722      19.62667 
1 1 1 6  1  7  o 1565.876 12.61153 173.5580       2.794764  169.9777       4.161595  176.4991       3.771869  1549.326 18.98005 1578.887 16.88052 -29.56152      25.40067 
1 1 1 6  1  9  o 2308.817 17.74170 377.4725       5.797017  390.1124       8.415413  366.0582       7.997019  2346.265 25.34420 2272.843 24.86216 73.42212       35.50289 
1 1 1 6  1  11 o 675.4177 15.93170 32.30389       1.522840  31.86063       2.150774  32.74950       2.156479  670.1302 22.71140 679.4439 22.45789 -9.313660      31.94002 
1 1 1 6  1  13 o 676.9809 17.21147 32.49036       1.647638  31.26037       2.259793  33.88632       2.407433  663.4312 24.10881 690.7111 24.66811 -27.27985      34.49276 
1 1 1 6  1  15 o 664.5657 18.73232 31.34347       1.760013  33.09074       2.497494  29.61967       2.480659  681.9473 25.92540 644.9450 27.23978 37.00226       37.60495 
1 1 1 6  1  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  1  19 o 1646.640 20.68416 192.4758       4.820102  188.5598       6.743371  196.5668       6.892377  1627.196 29.28313 1661.374 29.31446 -34.17810      41.43476 
1 1 1 6  1  21 f 711.8357 21.27093 35.96920       2.140418  34.53022       3.015797  37.42976       3.038345  696.2332 30.68284 725.0820 29.67212 -28.84875      42.68339 
1 1 1 6  1  23 o 2167.318 24.47623 333.3465       7.507356  333.2855       10.63122  333.4071       10.60285  2163.949 34.71492 2164.380 34.61539 -0.4309082     49.02398 
1 1 1 6  1  25 o 599.0850 26.66852 25.57256       2.255367  25.30682       3.128196  25.86022       3.254706  593.9804 37.40354 600.2214 38.51935 -6.241028      53.69139 
1 1 1 6  1  27 o 1313.855 23.48066 122.7438       4.365937  120.2148       6.047637  125.4965       6.309413  1296.782 32.98006 1324.692 33.68268 -27.91016      47.14030 
1 1 1 6  1  29 o 1018.057 26.33908 73.99727       3.791645  71.82051       5.332021  76.22400       5.392888  998.2610 37.81061 1028.795 37.10092 -30.53357      52.97283 
1 1 1 6  1  31 o 239.9448 68.41081 4.570432       2.436090  6.972172       3.518743  2.359610       3.375993  290.7421 81.99244 202.7303 79.92914 88.01183       114.5051 
1 1 1 6  1  33 o 707.4757 33.03780 36.52035       3.298690  34.70037       4.602277  38.44312       4.730467  678.1136 48.27248 715.0229 47.00889 -36.90924      67.38003 
1 1 1 6  1  35 o 791.5620 35.04876 46.49351       3.916510  50.22465       5.066726  40.95455       6.173344  811.7015 44.27501 708.6756 62.18312 103.0259       76.33490 
1 1 1 6  1  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  1  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  2  0  o 162.4695 25.14599 1.998038       0.5369775 1.998038       0.5369775 1.998038       0.5369775 162.4695 25.14599 162.4695 25.14599 0.000000       0.000000 
1 1 1 6  2  2  o 503.4726 9.138125 17.93942       0.6511075 17.33648       0.9144539 18.55942       0.9272906 494.7270 13.07246 512.0609 12.79601 -17.33383      18.29281 
1 1 1 6  2  4  o 930.0160 9.863218 61.21374       1.298162  60.27518       1.959278  61.94818       1.733197  922.7495 15.00349 935.5143 13.09114 -12.76489      19.91188 
1 1 1 6  2  6  o 3617.356 21.67202 926.7704       11.09457  932.9852       15.80520  920.7333       15.57746  3627.766 30.78513 3603.920 30.54231 23.84619       43.36539 
1 1 1 6  2  8  o 2205.420 15.69758 344.3545       4.899411  343.1809       7.426342  345.2589       6.519516  2200.886 23.84282 2207.860 20.86528 -6.973633      31.68343 
1 1 1 6  2  10 f 1003.109 13.58214 71.23528       1.928128  75.02469       2.524670  65.93168       2.986782  1029.288 17.33197 964.6743 21.87777 64.61340       27.91118 
1 1 1 6  2  12 o 1909.582 22.90916 258.4984       6.191092  262.5407       7.715247  251.1883       10.37519  1923.525 28.34211 1879.139 39.01372 44.38623       48.22183 
1 1 1 6  2  14 o 1239.788 17.72474 108.9387       3.109904  104.5568       4.226337  114.1129       4.592593  1213.696 24.60563 1267.786 25.59719 -54.09033      35.50568 
1 1 1 6  2  16 o 681.2545 25.96190 33.04773       2.498447  31.46037       3.487024  34.72231       3.581547  662.4316 37.34707 696.2304 36.47669 -33.79877      52.20491 
1 1 1 6  2  18 o 1184.550 27.27971 99.89296       4.573122  105.5241       6.696115  94.97055       6.260573  1213.025 39.05707 1150.929 38.49083 62.09668       54.83611 
1 1 1 6  2  20 o 1689.442 21.24144 202.5138       5.078635  206.8976       7.347676  198.5036       7.027562  1705.195 30.44782 1670.463 29.72679 34.73169       42.55293 
1 1 1 6  2  22 o 1238.670 20.42638 108.7776       3.580691  109.1703       5.103477  108.3969       5.025156  1239.675 29.08965 1235.333 28.74390 4.342163       40.89523 
1 1 1 6  2  24 o 907.0329 22.29455 58.38541       2.861816  56.66014       3.948293  60.29511       4.153973  891.7236 31.33537 919.7891 31.96068 -28.06543      44.75925 
1 1 1 6  2  26 o 1025.469 23.02077 74.72904       3.340892  74.87128       4.770278  74.59211       4.680471  1023.639 32.97190 1021.896 32.40504 1.743408       46.23022 
1 1 1 6  2  28 o 1225.968 23.99459 106.9802       4.163056  109.8771       5.929474  104.1640       5.846307  1238.413 33.86403 1205.570 34.30133 32.84277       48.20118 
1 1 1 6  2  30 o 573.4770 33.87574 23.75271       2.737068  24.87683       3.919333  22.68259       3.824025  581.0825 48.09031 554.1564 49.27380 26.92609       68.85191 
1 1 1 6  2  32 f 573.3706 36.71775 24.07897       2.963759  22.71294       4.228621  25.39793       4.155120  545.1202 55.59060 579.9043 51.15385 -34.78412      75.54489 
1 1 1 6  2  34 o 736.6003 36.19089 40.05872       3.761139  40.92523       4.839422  38.73695       5.976997  734.4198 46.80531 698.2623 61.09954 36.15747       76.96682 
1 1 1 6  2  36 o 310.3302 64.76723 8.328998       2.752388  6.369415       3.242164  13.38525       5.207961  257.0045 80.32093 350.2249 100.0820 -93.22043      128.3272 
1 1 1 6  2  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  3  1  o 1183.792 10.41614 99.18097       1.745028  98.02950       2.640585  100.0737       2.325095  1176.745 15.85616 1189.017 13.81760 -12.27271      21.03197 
1 1 1 6  3  3  o 437.7464 9.525640 13.56151       0.5901148 13.57148       0.8430560 13.55194       0.8262932 437.6567 13.62801 437.3522 13.36574 0.3045654      19.08837 
1 1 1 6  3  5  f 1677.382 11.99482 199.1473       2.847381  197.9848       3.999617  200.3419       4.054554  1672.250 16.90041 1682.168 17.03154 -9.917969      23.99369 
1 1 1 6  3  7  o 656.6969 9.798579 30.52162       0.9106424 31.55386       1.297902  29.52078       1.278014  667.6442 13.73653 645.7725 13.98415 21.87164       19.60227 
1 1 1 6  3  9  o 1512.222 13.77449 161.8905       2.947887  163.3929       4.140005  160.3452       4.198495  1518.887 19.25996 1504.623 19.71724 14.26477       27.56294 
1 1 1 6  3  11 o 1677.526 21.24215 199.4044       5.042982  208.5665       8.981351  195.1857       6.094384  1713.193 37.04380 1659.115 25.95575 54.07825       45.23211 
1 1 1 6  3  13 o 1257.508 17.42377 112.0477       3.100791  113.1944       4.367290  110.8821       4.403295  1263.095 24.43184 1250.063 24.89006 13.03137       34.87735 
1 1 1 6  3  15 o 510.6641 20.51907 18.53305       1.479884  15.95806       2.044854  21.36495       2.144439  472.4548 30.75023 547.4150 27.77145 -74.96027      41.43464 
1 1 1 6  3  17 o 826.9191 25.92448 48.69563       3.030093  46.85754       4.356783  50.41769       4.217031  808.1286 38.20295 839.0837 35.59339 -30.95508      52.21451 
1 1 1 6  3  19 o 433.4451 25.23757 13.39999       1.541413  15.21064       2.249154  11.79641       2.116649  460.3470 34.78074 404.5859 37.39016 55.76105       51.06588 
1 1 1 6  3  21 o 1081.610 19.89288 82.94433       3.045006  80.10531       4.245882  85.95086       4.369350  1061.499 28.28888 1099.607 28.10059 -38.10852      39.87360 
1 1 1 6  3  23 o 1584.170 22.06812 178.0099       4.947512  188.4806       7.271862  168.9860       6.750831  1628.039 31.56174 1541.695 30.94132 86.34387       44.19851 
1 1 1 6  3  25 o 544.0913 27.88630 21.12021       2.140086  19.21501       3.037547  22.99805       3.015650  516.1807 41.94274 565.9314 37.87078 -49.75073      56.51008 
1 1 1 6  3  27 o 1335.377 23.53542 126.8152       4.447804  123.3344       6.191061  130.5282       6.394145  1313.217 33.33957 1351.355 33.43439 -38.13733      47.21637 
1 1 1 6  3  29 o 744.5693 29.68822 39.71923       3.122033  36.96381       4.335984  42.68568       4.498968  713.3285 43.15333 767.4235 41.57987 -54.09497      59.92575 
1 1 1 6  3  31 o 354.3180 49.92904 9.472267       2.434275  7.994255       3.394924  11.03629       3.492311  312.5989 77.20301 373.5180 68.59353 -60.91904      103.2733 
1 1 1 6  3  33 o 353.0406 61.25040 9.916504       2.949321  9.488714       3.804425  10.56084       4.669056  331.5260 81.63732 340.4654 93.87665 -8.939392      124.4085 
1 1 1 6  3  35 o 160.1370 66.99521 1.177107       2.543478  0.6094708      3.168546  2.205619       4.265103  163.7364 71.70232 197.9897 84.94263 -34.25328      111.1597 
1 1 1 6  3  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  3  39 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  4  0  o 1048.020 15.17267 77.78486       2.249294  77.78486       2.249294  77.78486       2.249294  1048.020 15.17267 1048.020 15.17267 0.000000       0.000000 
1 1 1 6  4  2  o 1276.119 10.16669 115.2540       1.836076  117.4113       2.634788  113.2174       2.560032  1287.879 14.45609 1264.674 14.30365 23.20496       20.33649 
1 1 1 6  4  4  o 605.6915 9.286279 25.96360       0.7959998 25.29649       1.103200  26.68810       1.149664  597.8111 13.03979 614.0314 13.23002 -16.22028      18.57605 
1 1 1 6  4  6  o 497.0208 10.04667 17.48355       0.7066697 17.75611       1.005008  17.21701       0.9938489 500.6266 14.19956 492.9594 14.26087 7.667236       20.12461 
1 1 1 6  4  8  f 1705.881 13.31732 205.9997       3.215031  204.6594       4.855191  207.0463       4.290478  1699.867 20.18234 1709.936 17.72989 -10.06897      26.86402 
1 1 1 6  4  10 o 1841.974 16.91249 240.2750       4.408701  239.6866       5.633435  241.2048       7.081906  1839.242 21.64286 1844.359 27.13220 -5.116699      34.70691 
1 1 1 6  4  12 o 1445.952 17.75435 148.1248       3.633110  153.7367       5.276024  143.0639       5.010258  1472.161 25.32397 1420.195 24.92827 51.96509       35.53480 
1 1 1 6  4  14 o 800.1447 17.90322 45.38519       2.027307  49.63918       3.050173  42.01878       2.713378  835.5926 25.82449 768.8394 24.97074 66.75323       35.92272 
1 1 1 6  4  16 o 1091.353 24.32782 84.66414       3.757409  83.30476       5.402101  85.93811       5.229651  1079.251 35.41677 1096.732 33.73410 -17.48083      48.91153 
1 1 1 6  4  18 o 986.5857 27.87732 69.36329       3.888391  75.08011       5.734786  64.49864       5.290122  1022.811 39.69422 947.9471 39.51986 74.86395       56.01294 
1 1 1 6  4  20 o 1566.187 20.67712 173.9928       4.583037  176.0113       6.532015  172.0356       6.431932  1573.315 29.33673 1555.475 29.21855 17.84009       41.40492 
1 1 1 6  4  22 o 1658.386 21.73720 195.0385       5.101632  193.6574       7.131796  196.4859       7.300766  1650.734 30.52825 1662.626 31.02802 -11.89185      43.52829 
1 1 1 6  4  24 o 537.8599 26.45575 20.60819       2.007587  21.30570       2.827739  19.89929       2.850714  545.2205 36.86449 526.5209 38.52428 18.69965       53.32083 
1 1 1 6  4  26 o 628.2345 26.96317 28.14737       2.391665  29.84809       3.453118  26.57930       3.315714  644.5264 38.02638 607.9069 38.74236 36.61951       54.28606 
1 1 1 6  4  28 o 1091.560 24.72963 84.86025       3.820189  81.42222       5.374747  88.37038       5.430817  1064.912 35.71406 1109.949 34.61574 -45.03650      49.73674 
1 1 1 6  4  30 o 671.8943 31.13156 32.50779       2.952157  33.68412       4.148743  31.30123       4.201722  678.4747 43.43604 652.7546 45.77404 25.72003       63.10271 
1 1 1 6  4  32 f 518.6742 43.61630 20.02771       3.171939  19.99119       3.920480  20.09692       5.397081  510.8654 55.09704 492.6187 80.16978 18.24670       97.27732 
1 1 1 6  4  34 o 697.0453 37.20474 36.02898       3.656814  34.46678       4.557467  38.85267       6.127214  671.3596 48.29027 695.4078 62.94001 -24.04822      79.33092 
1 1 1 6  4  36 o 339.6341 64.97697 9.985141       3.009381  11.66318       3.739085  6.899079       5.070683  355.1995 76.63561 249.9541 98.13674 105.2454       124.5144 
1 1 1 6  4  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  5  1  o 1140.621 9.754994 92.07707       1.574665  92.21815       2.224625  91.93541       2.229208  1141.392 13.77217 1139.639 13.82176 1.752686       19.51189 
1 1 1 6  5  3  f 1831.325 12.56790 237.3861       3.257227  237.0490       4.597094  237.7258       4.615793  1829.743 17.75307 1832.350 17.79992 -2.607056      25.13978 
1 1 1 6  5  5  o 2432.396 16.58838 418.8959       5.710289  416.6698       8.661265  420.6075       7.594596  2425.014 25.23755 2436.830 22.02215 -11.81543      33.49491 
1 1 1 6  5  7  o 2097.318 15.04164 311.4172       4.464566  313.6942       6.848997  309.7347       5.887272  2104.245 22.99910 2091.241 19.89254 13.00415       30.40842 
1 1 1 6  5  9  o 2290.965 19.28303 371.7608       6.251923  366.3281       7.915959  380.7676       10.19256  2273.446 24.60362 2316.689 31.08821 -43.24316      39.64612 
1 1 1 6  5  11 o 553.2081 14.79372 21.68755       1.157166  20.85588       1.442861  23.18676       1.937224  542.2359 18.83112 571.3538 24.01176 -29.11792      30.51518 
1 1 1 6  5  13 o 1039.377 16.85547 76.55238       2.479327  73.90728       3.453591  79.36536       3.561493  1020.522 23.91270 1057.549 23.79644 -37.02649      33.73556 
1 1 1 6  5  15 o 844.3041 23.41407 50.67585       2.794963  55.38533       4.194829  46.91598       3.748132  880.5413 33.72472 810.5450 32.74257 69.99628       47.00460 
1 1 1 6  5  17 o 754.2875 18.76764 40.37694       2.003394  38.09327       2.791571  42.80219       2.876805  731.0108 27.03047 775.0901 26.26433 -44.07928      37.68901 
1 1 1 6  5  19 o 741.6258 29.70849 39.21003       3.111755  39.99328       4.453187  38.46267       4.350000  746.1763 42.34439 731.7547 42.18407 14.42163       59.77076 
1 1 1 6  5  21 o 1546.407 21.01324 169.5759       4.598716  172.9876       6.572879  166.3045       6.436403  1560.212 29.76818 1529.785 29.72986 30.42664       42.07148 
1 1 1 6  5  23 o 1836.830 23.16281 239.4323       6.021159  232.0175       8.238204  247.9355       8.822168  1805.726 32.23747 1866.258 33.40287 -60.53235      46.42204 
1 1 1 6  5  25 o 1067.176 22.40857 80.89802       3.384308  84.90100       4.922390  77.30949       4.660601  1090.643 31.92576 1040.768 31.67919 49.87524       44.97582 
1 1 1 6  5  27 o 781.6995 26.08743 43.56722       2.881921  45.01619       4.185583  42.26108       3.973951  791.4587 37.47514 767.0413 36.71527 24.41742       52.46329 
1 1 1 6  5  29 o 212.5775 68.03353 3.367926       2.313685  7.251724       3.323311  -0.2851296     3.223079  302.6893 77.31359 165.5290 72.40617 137.1603       105.9247 
1 1 1 6  5  31 o 819.2637 32.84917 48.64858       3.800900  46.87385       4.802260  51.62474       6.218822  797.6719 42.69597 828.2086 53.34136 -30.53668      68.32457 
1 1 1 6  5  33 o 364.1565 58.57928 10.48777       2.916547  9.377121       3.718204  12.26401       4.702139  329.0566 80.51371 368.8539 90.71786 -39.79736      121.2938 
1 1 1 6  5  35 o 455.6123 48.71404 16.28128       3.092324  14.98891       3.768250  18.94628       5.411219  421.5797 65.26701 446.1125 88.83294 -24.53281      110.2319 
1 1 1 6  5  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  6  0  o 755.8320 12.74795 40.46513       1.362721  40.46513       1.362721  40.46513       1.362721  755.8320 12.74795 755.8320 12.74795 0.000000       0.000000 
1 1 1 6  6  2  o 2323.335 14.87406 382.1270       4.890589  376.6686       6.825739  387.8851       7.010641  2306.177 20.91400 2340.237 21.16791 -34.05957      29.75695 
1 1 1 6  6  4  o 1061.943 10.34047 79.81601       1.554036  78.38663       2.049818  81.74802       2.383128  1052.299 13.76437 1074.561 15.67099 -22.26184      20.85756 
1 1 1 6  6  6  o 654.0939 9.713290 30.28054       0.8991379 30.94462       1.292339  29.65750       1.251777  661.1545 13.81191 647.2613 13.66556 13.89325       19.42978 
1 1 1 6  6  8  o 228.5594 18.42761 3.723773       0.5910085 3.531112       0.8605797 3.895747       0.8130671 221.3959 28.09842 233.1122 25.03768 -11.71637      37.63518 
1 1 1 6  6  10 o 1567.161 15.57258 173.9268       3.453775  175.5990       4.436622  171.3547       5.502426  1574.275 19.91370 1554.544 25.01102 19.73108       31.97040 
1 1 1 6  6  12 o 1008.632 16.51850 72.07992       2.357888  74.29079       3.422514  70.08257       3.253050  1023.295 23.63332 993.9454 23.12642 29.34943       33.06607 
1 1 1 6  6  14 o 980.9202 17.26913 68.22094       2.397308  67.04466       3.387381  69.40129       3.393238  971.1181 24.66743 988.4180 24.25794 -17.29993      34.59667 
1 1 1 6  6  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  6  18 o 427.5056 38.09909 13.17587       2.280902  18.04083       3.619690  9.971928       2.937475  497.2065 52.22008 366.4060 58.62439 130.8004       78.50959 
1 1 1 6  6  20 o 1315.951 22.73704 122.8717       4.234414  124.6076       5.356806  119.9804       6.913371  1324.168 28.58531 1296.757 37.71144 27.41187       47.32096 
1 1 1 6  6  22 o 1671.129 22.12076 198.0818       5.231543  201.9715       7.444009  194.2858       7.353852  1685.471 31.20799 1653.034 31.43499 32.43726       44.29556 
1 1 1 6  6  24 o 645.3491 24.43224 29.63309       2.227372  26.41134       3.093168  33.10289       3.210041  607.1638 36.16178 680.5517 33.43189 -73.38788      49.24800 
1 1 1 6  6  26 o 1034.094 23.18423 76.02602       3.392909  72.49827       4.723886  79.78516       4.876342  1006.796 33.19957 1056.414 32.65594 -49.61774      46.56846 
1 1 1 6  6  28 o 980.9078 25.44954 68.63753       3.529888  69.64215       5.030790  67.66329       4.954123  984.0325 36.18655 969.9470 36.15429 14.08545       51.15270 
1 1 1 6  6  30 o 898.3912 31.02922 58.16100       3.939161  58.10681       5.028877  58.24706       6.336791  892.7335 39.90511 885.8211 50.76047 6.912354       64.56813 
1 1 1 6  6  32 o 694.3024 36.73439 35.37836       3.596608  36.64167       4.744892  33.67228       5.514076  697.6035 48.36093 658.2831 59.84224 39.32037       76.94072 
1 1 1 6  6  34 f 319.3423 73.79869 8.844249       3.268304  14.12036       4.731586  4.029800       4.519841  392.2222 87.47107 225.7705 91.30787 166.4517       126.4449 
1 1 1 6  6  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  6  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  7  1  o 1077.382 9.767026 82.15183       1.489196  83.30422       2.153479  81.09567       2.061606  1084.796 14.02727 1070.332 13.61029 14.46350       19.54493 
1 1 1 6  7  3  o 589.2787 9.309193 24.57615       0.7763411 24.74414       1.105892  24.41291       1.090103  591.2323 13.21706 587.2635 13.11640 3.968750       18.62070 
1 1 1 6  7  5  o 838.7852 9.525473 49.79475       1.130725  50.08792       1.607383  49.50755       1.590918  841.1606 13.50270 836.2748 13.44247 4.885864       19.05316 
1 1 1 6  7  7  o 761.5623 10.34324 41.05103       1.114761  41.51809       1.682261  40.68537       1.488483  765.7462 15.52347 758.0769 13.87429 7.669312       20.82004 
1 1 1 6  7  9  o 1234.384 13.99325 107.8863       2.444492  107.4443       3.092166  108.6228       3.991620  1231.615 17.74059 1237.941 22.78398 -6.325195      28.87626 
1 1 1 6  7  11 o 918.0896 13.69803 59.69241       1.779766  58.60043       2.223867  61.63780       2.968272  909.4312 17.27902 932.2760 22.49776 -22.84485      28.36748 
1 1 1 6  7  13 o 1324.218 17.78233 124.3247       3.332483  127.6314       4.811018  121.2748       4.620442  1340.360 25.36272 1306.632 24.98679 33.72803       35.60347 
1 1 1 6  7  15 f 991.7493 23.39967 69.90223       3.284213  67.10667       4.563053  72.90690       4.730636  968.9901 33.32447 1010.100 33.13778 -41.11017      46.99609 
1 1 1 6  7  17 o 926.6048 18.44491 60.92631       2.418749  62.84848       3.512425  59.19273       3.335671  939.3457 26.44810 911.7228 25.87857 27.62286       37.00273 
1 1 1 6  7  19 o 730.6711 43.06121 38.32040       4.433004  0.000000       0.000000  38.32040       4.433004  ?        ?        730.6711 43.06121 ?              ?        
1 1 1 6  7  21 o 1567.979 21.29642 174.3457       4.725703  176.3354       6.710369  172.3881       6.656267  1575.200 30.10170 1557.447 30.19935 17.75220       42.63934 
1 1 1 6  7  23 o 653.2875 23.84710 30.34412       2.201052  34.48445       3.282730  26.96256       2.966719  694.9366 33.47723 614.1532 34.26933 80.78339       47.90733 
1 1 1 6  7  25 o 651.6988 25.94895 30.26760       2.388457  34.70841       3.547060  26.58373       3.230647  695.6918 36.15133 608.2271 37.71778 87.46478       52.24509 
1 1 1 6  7  27 o 898.2737 25.93176 57.54201       3.293106  56.14996       4.763577  58.81625       4.557560  883.3394 38.19560 905.0710 35.65171 -21.73163      52.24891 
1 1 1 6  7  29 o 496.3324 40.36547 17.96387       2.810866  18.30079       3.678244  17.49092       4.357966  495.6818 53.26955 478.1825 66.16895 17.49927       84.94690 
1 1 1 6  7  31 o 142.9925 63.31129 -0.3651595     2.534455  -2.753396      3.278594  3.181242       3.995241  138.2996 65.09373 220.4121 86.93555 -82.11252      108.6047 
1 1 1 6  7  33 o 429.4365 48.75618 14.14575       2.910728  15.21570       3.772445  12.57170       4.575628  434.7846 63.15546 373.6320 87.99601 61.15262       108.3139 
1 1 1 6  7  35 o 159.1186 68.53480 0.9729859      2.797257  -1.184302      4.283904  2.576455       3.693311  162.2708 75.74001 192.2769 80.60556 -30.00615      110.6065 
1 1 1 6  7  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  8  0  o 460.5665 14.16610 15.05576       0.9213626 15.05576       0.9213626 15.05576       0.9213626 460.5665 14.16610 460.5665 14.16610 0.000000       0.000000 
1 1 1 6  8  2  o 409.5576 10.41912 11.87981       0.6034110 11.49859       0.8487068 12.26949       0.8580742 402.7341 14.91662 416.0493 14.59599 -13.31516      20.86980 
1 1 1 6  8  4  f 1237.056 10.37592 108.3136       1.816502  109.0232       2.586341  107.6227       2.551849  1240.935 14.72709 1232.944 14.62486 7.991333       20.75509 
1 1 1 6  8  6  o 470.8715 11.14798 15.69430       0.7428797 16.28863       1.109421  15.21121       1.000225  479.3312 16.37870 463.2476 15.27774 16.08359       22.39802 
1 1 1 6  8  8  o 427.4582 12.95399 12.94830       0.7827362 13.06005       1.092060  12.83023       1.122479  429.0084 18.02726 425.1643 18.70103 3.844086       25.97519 
1 1 1 6  8  10 o 1198.558 14.18684 101.7373       2.406382  101.5959       3.032462  101.9777       3.954500  1197.422 17.89487 1199.101 23.30323 -1.678955      29.38141 
1 1 1 6  8  12 o 1135.895 14.54930 91.41179       2.338837  96.08728       3.026702  84.48216       3.684778  1164.155 18.37126 1090.855 23.86846 73.30005       30.11987 
1 1 1 6  8  14 o 605.5948 24.24117 26.10924       2.073372  27.60362       2.977476  24.70244       2.888910  620.9214 34.01369 587.0941 34.92802 33.82733       48.75344 
1 1 1 6  8  16 o 448.0400 22.69504 14.30295       1.434335  13.51022       2.048437  15.06549       2.009049  433.5984 33.64531 458.4942 31.14749 -24.89587      45.84946 
1 1 1 6  8  18 o 1124.064 19.62599 89.63783       3.122069  88.10929       4.480796  91.08012       4.352541  1112.498 28.48350 1131.736 27.17552 -19.23804      39.36774 
1 1 1 6  8  20 o 1040.507 19.94951 76.76048       2.937629  79.74268       4.261024  74.05908       4.055464  1059.069 28.45534 1020.661 28.10301 38.40771       39.99356 
1 1 1 6  8  22 f 1219.145 20.87805 105.4242       3.602178  105.5059       5.085578  105.3418       5.102965  1218.168 29.49941 1217.196 29.62391 0.9724121      41.80659 
1 1 1 6  8  24 o 1126.268 24.47570 90.17630       3.901185  88.38881       4.941600  93.13322       6.355744  1112.950 31.40556 1139.706 39.46477 -26.75598      50.43587 
1 1 1 6  8  26 o 1001.970 26.78724 71.57647       3.795008  74.79199       4.941491  66.95294       5.925408  1021.838 34.21915 963.0880 43.58727 58.74994       55.41480 
1 1 1 6  8  28 o 177.1419 68.23164 1.701841       2.414783  0.4195958      3.091499  3.708447       3.867360  171.5787 72.92612 235.7935 87.32829 -64.21478      113.7737 
1 1 1 6  8  30 o 1256.929 28.34393 113.6202       5.041857  114.2525       6.490920  112.6584       8.005459  1253.188 36.63843 1234.858 45.88867 18.32959       58.72091 
1 1 1 6  8  32 o 835.4419 32.89412 50.95866       3.881546  53.83624       5.057320  46.83361       6.055110  850.4153 42.15268 779.3776 55.25601 71.03778       69.49874 
1 1 1 6  8  34 o 276.7964 68.58506 6.639480       2.672806  6.841311       3.398112  6.312028       4.328299  270.8607 81.79433 254.2169 92.68066 16.64380       123.6124 
1 1 1 6  8  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  8  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  9  1  o 456.4713 10.24651 14.74796       0.6619259 14.87118       0.9426205 14.62809       0.9297218 458.0816 14.55882 454.3223 14.47851 3.759308       20.53257 
1 1 1 6  9  3  o 1024.114 9.831305 74.23289       1.424883  72.91770       1.995866  75.59999       2.034877  1014.872 13.89633 1033.369 13.91435 -18.49689      19.66512 
1 1 1 6  9  5  o 135.6485 25.66591 1.347508       0.4746691 1.234090       0.6659529 1.464632       0.6767442 129.7479 35.32544 140.8391 34.28114 -11.09122      49.22482 
1 1 1 6  9  7  o 1145.058 11.20602 92.81715       1.815928  91.34027       2.708637  94.02290       2.447406  1135.609 16.85397 1152.278 15.00821 -16.66943      22.56773 
1 1 1 6  9  9  o 814.6710 11.70236 46.99032       1.349197  47.11281       1.930776  46.87343       1.886115  815.4832 16.73004 813.4286 16.38434 2.054504       23.41668 
1 1 1 6  9  11 o 385.1771 17.12796 10.53643       0.9313188 11.07742       1.132470  9.406132       1.636934  394.6737 20.34402 362.1053 32.28118 32.56842       38.15696 
1 1 1 6  9  13 f 832.1675 17.31178 49.11180       2.038790  49.83504       2.897262  48.40236       2.869506  836.9817 24.48607 824.8304 24.60983 12.15125       34.71616 
1 1 1 6  9  15 o 247.4409 42.71479 4.520236       1.441739  4.860294       2.084460  4.208348       1.996252  253.4044 59.19854 235.7844 59.75801 17.62001       84.11591 
1 1 1 6  9  17 o 1132.390 18.75450 90.97429       3.005531  94.88788       4.352238  87.40650       4.155508  1154.958 26.62728 1108.522 26.48865 46.43542       37.55876 
1 1 1 6  9  19 f 558.3143 37.33796 22.31665       2.933227  19.08224       4.051744  25.87853       4.251910  511.9561 56.88197 598.6440 50.66275 -86.68790      76.17265 
1 1 1 6  9  21 o 308.5644 35.03244 6.864799       1.502760  6.579998       2.132468  7.145762       2.118052  298.6719 52.35863 312.1322 49.60684 -13.46030      72.12672 
1 1 1 6  9  23 o 708.9218 26.50715 35.79018       2.654702  35.61482       4.365753  35.89305       3.343958  703.2446 44.08833 708.6108 33.43953 -5.366211      55.33518 
1 1 1 6  9  25 o 692.4856 29.19861 34.25336       2.855072  30.66032       3.588063  40.45491       4.713886  652.6500 39.02545 748.1083 44.72829 -95.45831      59.35997 
1 1 1 6  9  27 o 609.3390 33.84484 26.70138       2.907112  27.92901       3.820117  25.01217       4.481089  619.9191 43.82586 582.0482 55.05507 37.87091       70.36879 
1 1 1 6  9  29 o 839.1059 30.73672 50.71831       3.643843  47.87525       4.567487  55.69554       6.043352  810.2929 39.95367 867.4236 49.43432 -57.13074      63.56137 
1 1 1 6  9  31 o 275.7390 69.55019 6.256128       2.713285  3.142491       3.553481  10.60959       4.201820  213.1192 82.58726 349.9361 85.56992 -136.8168      118.9238 
1 1 1 6  9  33 o 646.5902 37.14202 31.08432       3.384413  28.51953       4.307134  35.22369       5.471792  606.9296 50.60539 665.2077 58.72608 -58.27814      77.52199 
1 1 1 6  9  35 o 127.5124 60.24612 -1.890893      2.857593  -0.2299312     4.176853  -3.352399      3.918045  166.1577 76.58846 139.0849 67.01305 27.07275       101.7671 
1 1 1 6  9  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  10 0  o 1334.553 15.23295 126.1171       2.876154  126.1171       2.876154  126.1171       2.876154  1334.553 15.23295 1334.553 15.23295 0.000000       0.000000 
1 1 1 6  10 2  f 2132.794 14.14599 322.0623       4.269746  320.8265       6.020633  323.3128       6.056190  2128.082 19.99098 2136.307 20.03162 -8.225098      28.30027 
1 1 1 6  10 4  o 2287.685 14.95935 370.5839       4.843157  372.0789       6.879341  369.1148       6.819568  2291.483 21.21341 2282.352 21.11322 9.130859       29.92953 
1 1 1 6  10 6  o 1719.216 13.27590 209.2787       3.230087  209.4652       4.887179  209.1340       4.304217  1719.283 20.08589 1718.200 17.70111 1.082764       26.77261 
1 1 1 6  10 8  o 1610.879 13.05878 183.7583       2.977046  182.2644       4.441910  184.9766       4.011301  1603.556 19.57338 1615.715 17.54287 -12.15869      26.28439 
1 1 1 6  10 10 o 1210.173 14.27418 103.7517       2.444660  105.9934       3.090650  100.0051       3.995623  1222.770 17.86015 1186.882 23.78796 35.88818       29.74646 
1 1 1 6  10 12 o 1077.758 14.50250 82.32145       2.211993  84.67223       2.811713  78.50370       3.583179  1092.548 18.18488 1051.023 24.08998 41.52527       30.18306 
1 1 1 6  10 14 o 657.9101 23.81632 30.81878       2.213828  29.43291       3.091925  32.27667       3.171232  640.8094 34.21825 671.3120 33.48551 -30.50250      47.87659 
1 1 1 6  10 16 o 595.5708 22.37156 25.23479       1.882247  25.14511       2.468410  25.35937       2.909428  593.3357 29.48900 594.8027 34.71415 -1.466980      45.54858 
1 1 1 6  10 18 o 1479.490 20.11857 155.2433       4.212396  147.2316       5.777021  164.3390       6.155421  1439.177 28.36417 1520.431 28.60693 -81.25464      40.28502 
1 1 1 6  10 20 o 138.7462 60.83753 -0.5062332     2.287662  2.169601       3.415791  -2.682670      3.080596  209.6231 81.04221 139.0729 64.68250 70.55023       103.6902 
1 1 1 6  10 22 o 1290.534 21.32613 118.1999       3.894945  117.1695       5.472167  119.2580       5.545126  1283.004 30.13781 1294.354 30.27182 -11.35034      42.71616 
1 1 1 6  10 24 o 1110.526 24.78860 87.73260       3.895835  87.77647       4.960262  87.66198       6.293993  1108.510 31.65118 1104.553 40.33199 3.957153       51.26857 
1 1 1 6  10 26 o 189.3817 65.96085 2.432936       2.168199  3.930913       2.924783  0.6053680      3.230561  231.7622 76.65974 178.4938 75.14132 53.26840       107.3449 
1 1 1 6  10 28 o 662.6608 32.78961 31.65859       3.065466  32.40405       3.936550  30.51008       4.886195  666.5505 41.94406 640.2257 54.44438 26.32477       68.72768 
1 1 1 6  10 30 o 513.1912 40.93959 19.48075       2.948693  19.90124       3.814590  18.85646       4.647991  511.0814 53.53308 485.9741 69.56396 25.10733       87.77776 
1 1 1 6  10 32 o 551.1734 39.45191 22.64495       3.056993  26.17107       4.064353  18.05149       4.638871  584.3405 49.61667 464.8528 72.91039 119.4877       88.19149 
1 1 1 6  10 34 o 164.4293 71.04994 1.078520       3.025232  5.171011       4.228799  -3.211462      4.329631  230.7375 89.90349 149.0981 71.47509 81.63934       114.8535 
1 1 1 6  10 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  11 1  o 1044.728 10.08682 77.25819       1.491342  76.26102       2.093189  78.28622       2.125332  1037.788 14.25214 1051.476 14.28261 -13.68799      20.17712 
1 1 1 6  11 3  o 1025.252 10.10627 74.40588       1.466362  75.19819       2.084389  73.62955       2.063270  1030.511 14.29244 1019.706 14.29753 10.80518       20.21616 
1 1 1 6  11 5  o 712.3749 10.34004 35.92442       1.042439  35.09825       1.537866  36.62672       1.417893  703.9537 15.43671 719.1810 13.93110 -15.22736      20.79345 
1 1 1 6  11 7  o 614.5307 10.75298 26.73747       0.9351735 26.15722       1.380286  27.22984       1.271474  607.4043 16.07139 620.0215 14.49043 -12.61719      21.63936 
1 1 1 6  11 9  o 524.7003 12.24175 19.49861       0.9090227 19.79748       1.282036  19.19644       1.289098  528.1985 17.17358 520.0783 17.53958 8.120178       24.54728 
1 1 1 6  11 11 o 320.7122 19.36738 7.325128       0.8749384 8.432454       1.061507  4.978808       1.545179  343.8944 21.92530 260.0419 43.52389 83.85251       48.73446 
1 1 1 6  11 13 o 314.5693 23.69729 7.075696       1.047200  7.016448       1.226861  7.234725       2.010006  312.5919 28.03031 313.5504 46.72152 -0.9585266     54.48485 
1 1 1 6  11 15 o 1278.052 18.54310 115.9153       3.353903  112.2679       4.635224  119.9233       4.858952  1256.014 26.07694 1298.024 26.45087 -42.01038      37.14371 
1 1 1 6  11 17 o 748.7263 19.82727 39.79033       2.099053  42.01448       3.023042  37.71973       2.916825  768.2446 27.85121 727.7831 28.37407 40.46149       39.75900 
1 1 1 6  11 19 f 710.8702 33.97433 36.04614       3.408020  37.31898       4.675238  34.60289       4.978369  720.9584 46.06290 692.9421 51.12572 28.01630       68.81592 
1 1 1 6  11 21 o 99.67931 44.99046 -0.6996346     1.347128  -0.5518151     1.920354  -0.8428570     1.890257  125.1250 55.26860 119.7210 53.72757 5.404030       77.07964 
1 1 1 6  11 23 o 161.0817 59.35681 1.527144       1.782744  3.189366       2.328806  -0.8258440     2.770759  210.6475 68.33187 148.5244 65.95532 62.12305       94.97025 
1 1 1 6  11 25 o 403.6703 41.31894 11.84648       2.327188  14.37318       3.123413  8.693401       3.489157  442.2331 50.82982 334.9204 75.43256 107.3126       90.96011 
1 1 1 6  11 27 o 551.7987 42.61067 22.20887       3.301746  28.23409       4.976257  17.47030       4.413059  615.2120 57.83382 478.4511 67.01007 136.7610       88.51611 
1 1 1 6  11 29 o 303.1074 61.99445 7.238565       2.569544  7.247819       3.328272  7.224910       4.042836  295.7912 78.29510 291.2473 89.47234 4.543915       118.8925 
1 1 1 6  11 31 o 486.1139 49.32880 18.04494       3.346645  15.49624       4.772690  20.51032       4.694031  423.8992 82.52708 503.2698 67.61517 -79.37061      106.6889 
1 1 1 6  11 33 f 191.3287 71.46661 2.900054       2.600589  -0.9974703     3.180821  10.75778       4.516410  145.9705 67.12068 328.5501 92.97347 -182.5797      114.6702 
1 1 1 6  11 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  11 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  12 0  o 1576.656 16.93218 176.0606       3.777087  176.0606       3.777087  176.0606       3.777087  1576.656 16.93218 1576.656 16.93218 0.000000       0.000000 
1 1 1 6  12 2  o 1138.122 10.47289 91.69878       1.686845  91.83872       2.389192  91.55970       2.381942  1138.732 14.82551 1137.003 14.80301 1.729492       20.95053 
1 1 1 6  12 4  o 587.3973 10.34769 24.42680       0.8601915 25.30292       1.226145  23.57772       1.207068  597.6978 14.49574 576.7611 14.80045 20.93671       20.71666 
1 1 1 6  12 6  o 362.1373 13.00983 9.300063       0.6656689 8.151369       0.9543337 10.38852       0.9289744 338.4586 20.01326 382.4752 17.20656 -44.01657      26.39311 
1 1 1 6  12 8  o 419.6861 13.12793 12.48948       0.7787647 13.53340       1.092833  11.41242       1.110048  436.5298 17.72656 400.6250 19.63855 35.90475       26.45569 
1 1 1 6  12 10 o 206.7414 26.66532 3.090642       0.7620282 3.316668       0.8964872 2.502082       1.446640  213.6206 30.52040 183.8659 52.81294 29.75470       60.99755 
1 1 1 6  12 12 o 1001.621 14.62642 71.12519       2.073296  72.67236       2.605166  68.45248       3.424066  1011.931 18.19135 980.5933 24.69330 31.33765       30.67057 
1 1 1 6  12 14 o 323.9253 27.48451 7.525965       1.248065  8.763946       1.817262  6.420745       1.717058  347.8725 37.50485 296.1318 42.16088 51.74069       56.42830 
1 1 1 6  12 16 o 363.2426 29.51327 9.449773       1.504109  8.581213       1.872729  11.02836       2.524699  344.3984 39.11532 389.3767 46.75008 -44.97830      60.95554 
1 1 1 6  12 18 o 1572.566 20.83319 175.3811       4.636437  173.6178       6.502199  177.2050       6.613031  1562.904 29.39735 1578.920 29.59517 -16.01575      41.71424 
1 1 1 6  12 20 f 980.6340 46.60191 69.05957       6.448905  69.05957       6.448905  0.000000       0.000000  980.6340 46.60191 ?        ?        ?              ?        
1 1 1 6  12 22 o 680.0046 26.86713 32.96149       2.580461  32.39601       3.346426  33.79092       4.052851  672.3514 35.29299 684.9365 42.01315 -12.58502      54.86985 
1 1 1 6  12 24 o 306.4172 51.87829 6.991210       2.169476  4.749063       2.605633  12.05817       3.917015  249.4395 70.62946 397.4402 72.30350 -148.0007      101.0758 
1 1 1 6  12 26 o 193.8200 66.01102 2.650095       2.167394  2.427647       2.833457  2.963816       3.364919  199.0148 74.54476 216.8829 81.23596 -17.86809      110.2552 
1 1 1 6  12 28 o 473.1935 43.57158 16.54601       2.885103  11.63458       3.750645  23.66393       4.515213  382.1691 71.98772 558.0427 58.01898 -175.8736      92.45775 
1 1 1 6  12 30 o 356.5086 56.24026 9.936316       2.743555  10.92746       3.624566  8.606567       4.198298  363.1058 73.06754 309.8050 90.26595 53.30087       116.1327 
1 1 1 6  12 32 o 156.9785 65.68436 1.032959       2.445512  2.904685       3.233944  -1.466875      3.737377  198.9003 78.28764 154.7678 71.72842 44.13249       106.1787 
1 1 1 6  12 34 o 189.1991 73.92740 3.020771       2.865935  -0.2124196     3.918069  6.741320       4.203005  161.4931 74.34415 248.4357 91.20833 -86.94267      117.6691 
1 1 1 6  12 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  13 1  o 593.3067 10.62683 24.92307       0.8922836 24.62988       1.267132  25.21146       1.256692  589.4315 15.20307 596.5622 14.88515 -7.130737      21.27678 
1 1 1 6  13 3  o 343.5990 13.49976 8.375086       0.6551665 8.738711       0.9376016 8.028120       0.9158713 350.5710 18.96895 335.9378 19.34624 14.63318       27.09424 
1 1 1 6  13 5  o 711.8246 10.77104 35.87879       1.085051  36.50186       1.637263  35.39082       1.448928  717.6697 16.12034 706.7689 14.48603 10.90082       21.67280 
1 1 1 6  13 7  o 91.14046 32.82356 0.4957165      0.5407224 0.4341896      0.7845737 0.5513806      0.7462583 99.36385 38.72193 101.8826 38.23670 -2.518730      54.41905 
1 1 1 6  13 9  f 400.4320 13.63942 11.37654       0.7718093 11.73460       1.093479  11.02105       1.089538  406.1804 19.07596 393.5490 19.62439 12.63138       27.36803 
1 1 1 6  13 11 o 456.8921 16.32091 14.82575       1.053609  14.72340       1.245143  15.08382       1.977104  454.9666 19.38279 458.7538 30.62844 -3.787201      36.24630 
1 1 1 6  13 13 o 890.4929 16.88156 56.25288       2.127466  55.76977       2.480726  57.59610       4.136464  886.2454 19.77903 897.4048 32.62454 -11.15936      38.15194 
1 1 1 6  13 15 o 564.7838 20.47877 22.66442       1.634129  24.79045       2.333481  20.61836       2.289171  589.6829 28.04220 537.3143 30.22628 52.36865       41.23097 
1 1 1 6  13 17 o 460.0541 24.39264 15.06581       1.582459  14.79189       2.251823  15.33307       2.224302  454.3597 35.29655 462.8173 34.20138 -8.457520      49.14856 
1 1 1 6  13 19 o 1220.065 45.45468 106.7074       7.834682  106.7074       7.834682  0.000000       0.000000  1220.065 45.45468 ?        ?        ?              ?        
1 1 1 6  13 21 o 585.6400 26.48525 24.45062       2.189420  24.07794       2.824562  25.01160       3.465403  579.6315 34.59069 589.1049 41.83855 -9.473389      54.28609 
1 1 1 6  13 23 o 588.1743 28.81066 24.73221       2.390868  25.42053       3.104336  23.72865       3.748393  594.3485 37.09181 571.3245 46.76885 23.02405       59.69194 
1 1 1 6  13 25 o 396.0359 44.98915 11.50181       2.476885  12.53651       3.259604  10.08804       3.810173  409.2256 57.89886 358.9897 77.28578 50.23596       96.56796 
1 1 1 6  13 27 o 237.0376 69.94702 4.417407       2.507235  4.219686       3.323815  4.678441       3.819083  236.1762 81.70139 248.0582 87.45626 -11.88194      119.6817 
1 1 1 6  13 29 o 661.3708 35.92821 32.06242       3.350168  27.45502       4.222576  39.88980       5.503735  602.1685 50.00017 722.4247 54.22836 -120.2563      73.76131 
1 1 1 6  13 31 o 535.4476 48.63435 22.04221       3.645195  17.90878       5.165465  26.14257       5.144766  448.7912 84.42680 566.1115 65.41823 -117.3203      106.8056 
1 1 1 6  13 33 o 264.9755 75.59621 6.628732       2.973758  4.266124       4.172506  9.067643       4.239348  215.1392 87.46524 291.7765 91.93989 -76.63730      126.8980 
1 1 1 6  13 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  14 0  f 127.7903 48.69641 1.575004       0.8290308 1.575004       0.8290308 1.575004       0.8290308 127.7903 48.69641 127.7903 48.69641 0.000000       0.000000 
1 1 1 6  14 2  o 267.7351 16.46780 5.100231       0.6209463 4.869553       0.8614013 5.349764       0.8959168 260.8099 23.59279 273.4943 23.37102 -12.68439      33.20879 
1 1 1 6  14 4  o 667.9094 10.99860 31.59335       1.039620  32.70547       1.580627  30.74542       1.380167  679.2056 16.44404 658.6573 14.80650 20.54828       22.12778 
1 1 1 6  14 6  o 444.6962 12.24763 14.02022       0.7700543 15.14440       1.148701  13.10268       1.037771  461.7330 17.61137 429.4832 17.10824 32.24979       24.55305 
1 1 1 6  14 8  o 674.6212 11.45784 32.24116       1.093913  31.52539       1.508157  33.03578       1.589065  666.7274 15.98374 682.4666 16.45282 -15.73914      22.93851 
1 1 1 6  14 10 o 409.8871 16.47615 11.93754       0.9537926 11.04356       1.099949  14.64690       1.914892  393.8437 19.79812 452.0775 30.10182 -58.23386      36.02895 
1 1 1 6  14 12 o 817.5568 16.32601 47.40845       1.888939  47.54716       2.190145  47.00566       3.732306  818.4209 18.90934 810.5764 32.60247 7.844543       37.68931 
1 1 1 6  14 14 o 209.7782 31.63292 3.204066       0.9099452 3.666622       1.072895  2.018699       1.717519  224.0948 34.97190 172.9342 58.76443 51.16055       68.38342 
1 1 1 6  14 16 o 994.0770 20.89278 70.09238       2.939246  68.48654       3.732582  72.71343       4.768639  981.4879 26.89765 1010.071 33.40570 -28.58319      42.88851 
1 1 1 6  14 18 o 832.8149 22.75208 49.25700       2.679060  50.24902       3.465353  47.78328       4.223742  840.1852 29.18857 817.8898 36.58334 22.29541       46.80078 
1 1 1 6  14 20 o 267.5773 89.28124 5.181732       3.965111  5.181732       3.965111  0.000000       0.000000  267.5773 89.28124 ?        ?        ?              ?        
1 1 1 6  14 22 o 160.4129 59.09440 1.526926       1.766816  -1.175122      2.247042  5.902841       2.859559  127.3275 57.72504 276.9714 72.21999 -149.6440      92.45490 
1 1 1 6  14 24 o 329.0181 49.77823 8.041141       2.245453  5.109147       2.826639  13.05612       3.696777  257.0927 73.81650 415.1971 65.04886 -158.1043      98.38816 
1 1 1 6  14 26 o 215.2977 68.94242 3.516157       2.375670  4.024425       3.031652  2.707452       3.824092  231.0890 78.07716 216.8575 85.19954 14.23148       115.5639 
1 1 1 6  14 28 o 159.7917 66.31225 0.9227303      2.462730  0.5617763      3.142389  1.497388       3.964959  169.3945 72.79632 196.3935 82.99091 -26.99899      110.3938 
1 1 1 6  14 30 o 347.1185 56.62633 9.566526       2.685925  7.348636       3.448465  12.98706       4.282555  287.4815 81.20300 385.3361 81.10212 -97.85455      114.7671 
1 1 1 6  14 32 o 198.1780 75.00409 3.287662       2.884946  3.484218       4.257543  3.120795       3.922839  208.9155 86.98478 202.0966 83.76476 6.818832       120.7596 
1 1 1 6  14 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  14 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  15 1  o 111.1263 34.95041 0.8716553      0.6129024 0.4004105      0.8582724 1.362047       0.8755351 101.4471 40.20539 137.3100 41.53002 -35.86290      57.80325 
1 1 1 6  15 3  o 610.5067 11.22509 26.40067       0.9698398 26.56201       1.376673  26.24169       1.366505  611.8483 15.91241 608.1476 15.89112 3.700745       22.48850 
1 1 1 6  15 5  o 195.7880 22.27345 2.758824       0.6061946 2.465927       0.8755112 3.028544       0.8401586 182.7107 35.13507 203.9648 30.00186 -21.25412      46.20157 
1 1 1 6  15 7  f 759.9520 10.93509 40.91191       1.176057  41.34951       1.731761  40.53734       1.602179  763.5135 16.02697 756.0939 14.97323 7.419678       21.93311 
1 1 1 6  15 9  o 504.1081 12.19179 18.00762       0.8697832 18.34465       1.226228  17.66634       1.233927  508.1717 17.07490 498.6263 17.51336 9.545349       24.45955 
1 1 1 6  15 11 o 892.9462 13.99059 56.51845       1.767996  57.40435       2.127006  54.53815       3.180112  899.5866 16.70729 875.0004 25.70902 24.58618       30.66084 
1 1 1 6  15 13 o 397.6120 19.08264 11.24047       1.070652  10.83829       1.177350  13.16254       2.573812  390.1734 21.40400 426.4659 43.24254 -36.29248      48.24985 
1 1 1 6  15 15 o 470.9200 19.12955 15.75021       1.272234  15.35353       1.428798  17.26849       2.795290  464.6852 21.78728 490.0997 40.66748 -25.41449      46.13598 
1 1 1 6  15 17 o 1040.154 21.85359 76.76474       3.216919  74.75368       4.115739  79.92244       5.157283  1025.097 28.39761 1058.654 34.46882 -33.55701      44.66009 
1 1 1 6  15 19 o 518.8171 59.23425 19.77818       4.271337  19.77818       4.271337  0.000000       0.000000  518.8171 59.23425 ?        ?        ?              ?        
1 1 1 6  15 21 o 644.2389 28.29654 29.64723       2.573590  30.96182       3.270279  27.50864       4.171138  656.6941 35.31853 614.9670 48.31501 41.72705       59.84763 
1 1 1 6  15 23 o 566.2993 31.32551 23.01450       2.500741  22.93995       3.254186  23.12202       3.908096  562.5418 41.16084 561.7653 49.66877 0.7765503      64.50737 
1 1 1 6  15 25 o 312.3581 55.59289 7.414460       2.367403  4.183574       3.062212  12.21435       3.732417  235.1658 78.46020 396.7753 68.97232 -161.6095      104.4662 
1 1 1 6  15 27 o 126.2253 58.26126 -1.511972      2.428832  -3.511801      3.166582  1.345922       3.785449  129.4070 61.78864 192.4826 81.20155 -63.07562      102.0369 
1 1 1 6  15 29 o 413.8971 50.17739 13.19908       2.879190  8.912362       3.589726  20.93030       4.820840  319.6267 79.64964 505.3694 69.22253 -185.7426      105.5264 
1 1 1 6  15 31 o 213.7844 69.13961 3.958672       2.385261  2.127721       2.984445  7.196380       3.968661  181.1319 73.84778 270.0529 89.29710 -88.92094      115.8769 
1 1 1 6  15 33 o 134.9603 61.44731 -0.3250522     2.580003  1.852422       3.621284  -2.569678      3.676699  176.2608 76.93188 137.4928 65.89944 38.76805       101.2978 
1 1 1 6  15 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  16 0  o 85.48807 48.15011 0.6970648      0.8863643 0.6970648      0.8863643 0.6970648      0.8863643 85.48807 48.15011 85.48807 48.15011 0.000000       0.000000 
1 1 1 6  16 2  o 328.6329 15.32636 7.675274       0.7108405 6.768784       0.9509829 8.823040       1.070084  307.8246 21.97431 351.6984 21.60372 -43.87381      30.81544 
1 1 1 6  16 4  o 317.9991 16.21195 7.192082       0.7271859 6.023864       1.076052  8.174063       0.9865582 289.6030 26.55005 338.5593 20.68935 -48.95633      33.65939 
1 1 1 6  16 6  o 750.4207 11.28206 39.89690       1.198155  40.00162       1.788927  39.81170       1.613511  750.8332 16.83563 749.2380 15.21712 1.595215       22.69359 
1 1 1 6  16 8  o 553.8677 11.79977 21.73653       0.9249094 22.39089       1.283708  21.03014       1.333767  561.5785 16.16919 544.0927 17.34373 17.48584       23.71176 
1 1 1 6  16 10 o 133.1362 38.23177 1.299122       0.7581961 1.497161       0.8184802 0.1013628      2.012875  142.3555 39.32563 138.3110 58.81765 4.044449       70.75324 
1 1 1 6  16 12 o 586.6605 16.84629 24.42025       1.397208  26.87356       1.623619  17.41780       2.743045  615.2610 18.66842 491.9731 39.73561 123.2879       43.90249 
1 1 1 6  16 14 o 647.9977 16.43526 29.77707       1.505980  29.56490       1.701139  30.54589       3.238226  645.4822 18.64194 653.8093 35.12641 -8.327026      39.76665 
1 1 1 6  16 16 o 529.5252 25.49424 19.96148       1.904894  19.49931       2.447855  20.67106       3.033125  522.2272 33.29462 536.5062 40.24129 -14.27905      52.22924 
1 1 1 6  16 18 f 350.1123 35.27736 8.840655       1.724119  8.055573       2.187809  10.12722       2.800705  331.2927 48.06546 370.3655 55.11036 -39.07281      73.12619 
1 1 1 6  16 20 o 523.0825 71.84608 20.63152       5.178185  20.63152       5.178185  0.000000       0.000000  523.0825 71.84608 ?        ?        ?              ?        
1 1 1 6  16 22 o 320.9542 44.90652 7.588967       1.983981  9.161889       2.584183  5.330865       3.096288  350.4794 53.81797 262.6975 77.78536 87.78189       94.58825 
1 1 1 6  16 24 o 381.3028 44.89605 10.72559       2.376309  8.116112       3.116305  14.35096       3.673151  321.6639 70.41473 434.8561 61.39204 -113.1922      93.41958 
1 1 1 6  16 26 o 122.6511 56.69658 -1.528312      2.312712  -1.032006      3.010256  -2.243248      3.612953  148.1140 67.01424 151.3847 70.28580 -3.270691      97.11334 
1 1 1 6  16 28 f 157.2383 65.80231 0.8911611      2.454823  1.185909       3.199853  0.4695526      3.827009  176.3680 74.54307 178.7340 78.51956 -2.365997      108.2681 
1 1 1 6  16 30 o 190.7020 69.03769 2.902696       2.395912  4.592760       3.166604  0.6396520      3.664279  227.2887 79.67587 172.7709 76.32831 54.51784       110.3370 
1 1 1 6  16 32 o 107.7109 51.17887 -1.807332      2.118887  -2.174122      2.559273  -1.008005      3.778069  116.5343 55.61636 151.2202 70.76038 -34.68588      90.00117 
1 1 1 6  16 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  17 1  o 399.5014 14.53264 11.33218       0.8202732 11.94129       1.173957  10.75111       1.146609  409.4573 20.32278 388.3836 20.93840 21.07370       29.17931 
1 1 1 6  17 3  o 61.32275 28.94205 -0.7418765     0.6562002 -1.450972      0.9709712 -0.1457350     0.8902844 69.56918 33.47895 87.93100 38.26550 -18.36182      50.84377 
1 1 1 6  17 5  o 408.6519 13.81822 11.85273       0.7979954 11.31326       1.169233  12.32313       1.091813  398.4540 20.80704 416.1879 18.58385 -17.73386      27.89789 
1 1 1 6  17 7  o 144.8587 31.75466 1.556427       0.6329926 1.063699       0.8227487 2.271130       0.9908909 124.0364 40.64104 174.3757 40.86987 -50.33932      57.63714 
1 1 1 6  17 9  o 327.8675 13.98943 7.632232       0.6476179 7.229381       0.8612083 8.156510       0.9824641 318.5948 19.18967 338.3177 20.61765 -19.72293      28.16613 
1 1 1 6  17 11 o 830.2416 15.63836 48.85331       1.837450  49.28757       2.085203  47.34467       3.886552  833.7389 17.67252 814.2496 33.80123 19.48932       38.14238 
1 1 1 6  17 13 o 496.7357 16.87953 17.50854       1.184879  17.13751       1.295162  19.41311       2.934370  491.2849 18.66212 519.8667 40.19641 -28.58179      44.31734 
1 1 1 6  17 15 o 1177.578 16.78888 98.28878       2.797894  97.20740       3.170613  102.0941       5.947724  1170.786 19.13577 1196.231 35.17125 -25.44470      40.03991 
1 1 1 6  17 17 o 576.2020 25.62649 23.65778       2.084470  23.18326       2.662769  24.40879       3.349905  569.0349 33.20982 582.2023 40.91789 -13.16742      52.69882 
1 1 1 6  17 19 o 326.5763 88.88221 8.401711       4.216868  8.401711       4.216868  0.000000       0.000000  326.5763 88.88221 ?        ?        ?              ?        
1 1 1 6  17 21 o 224.7438 88.23882 2.701428       4.099424  2.701428       4.099424  0.000000       0.000000  224.7438 88.23882 ?        ?        ?              ?        
1 1 1 6  17 23 o 391.3088 42.64511 11.24051       2.323446  12.74230       3.040815  9.133718       3.601605  412.9688 53.26944 339.2202 76.81441 73.74866       93.47774 
1 1 1 6  17 25 o 175.4311 67.19267 1.854749       2.332724  1.822038       3.016742  1.903394       3.678853  187.0834 74.96806 199.4297 81.72903 -12.34627      110.9047 
1 1 1 6  17 27 o 298.5756 61.99366 7.204322       2.533729  6.896615       3.277762  7.661177       3.993902  282.2109 78.97526 291.4274 88.81531 -9.216492      118.8497 
1 1 1 6  17 29 o 142.0131 59.00147 0.8092204      1.952784  0.3347417      2.321058  1.958792       3.612814  143.0518 62.02262 188.6943 79.45057 -45.64243      100.7928 
1 1 1 6  17 31 o 218.1317 74.11408 4.518918       2.731949  1.009472       3.622027  9.150294       4.160902  168.6222 75.11282 289.6916 91.05836 -121.0694      118.0405 
1 1 1 6  17 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  17 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  18 0  o 178.1621 46.21987 2.670083       1.006981  2.670083       1.006981  2.670083       1.006981  178.1621 46.21987 178.1621 46.21987 0.000000       0.000000 
1 1 1 6  18 2  o 185.7046 27.38978 2.509888       0.6982471 2.387532       1.004283  2.624380       0.9714749 178.7775 40.62040 188.0126 37.82272 -9.235138      55.50293 
1 1 1 6  18 4  o 311.2674 18.82536 6.903618       0.8253949 8.286418       1.243526  5.814622       1.103541  340.1439 26.03063 284.3005 27.78195 55.84341       38.07138 
1 1 1 6  18 6  o 647.9537 12.94847 29.75101       1.187359  28.84854       1.605395  30.84082       1.764172  637.3954 17.81474 658.9065 18.93861 -21.51111      26.00069 
1 1 1 6  18 8  o 549.4905 12.26540 21.38898       0.9538093 21.63878       1.298405  21.09616       1.405762  552.1852 16.63417 545.0479 18.25032 7.137390       24.69351 
1 1 1 6  18 10 o 168.4951 28.75430 2.075209       0.6610749 2.570248       0.6940211 -2.770586      2.171379  188.3006 26.79925 107.9833 51.44981 80.31738       58.01105 
1 1 1 6  18 12 o 545.1743 15.35421 21.07655       1.183450  21.48361       1.282154  18.73393       3.075819  550.3280 16.48119 510.0473 43.01235 40.28073       46.06183 
1 1 1 6  18 14 o 73.76208 34.20664 -0.7366193     0.8519453 -0.6169260     0.9174956 -1.485621      2.295146  79.69662 36.42261 125.8915 57.56184 -46.19485      68.11735 
1 1 1 6  18 16 f 394.9550 22.32712 11.11731       1.242876  10.33356       1.365269  14.90995       3.003322  380.3049 25.51447 452.5474 47.60622 -72.24249      54.01241 
1 1 1 6  18 18 o 189.9215 56.80355 2.671773       1.644679  2.605694       2.157902  2.763360       2.540509  193.7208 65.86818 202.7185 71.34186 -8.997696      97.09932 
1 1 1 6  18 20 f 379.0861 90.46381 11.51612       4.785480  11.51612       4.785480  0.000000       0.000000  379.0861 90.46381 ?        ?        ?              ?        
1 1 1 6  18 22 o 159.6147 63.08352 1.193080       2.107545  2.375540       2.854027  -0.2250044     3.125474  197.4178 74.62707 163.3090 71.37122 34.10884       103.2620 
1 1 1 6  18 24 f 374.5231 37.71550 10.30848       1.971831  9.924970       2.317021  11.31570       3.754918  364.1965 45.97729 374.8996 73.40081 -10.70309      86.61172 
1 1 1 6  18 26 f 155.3349 60.17462 1.426542       1.886013  1.345299       2.170325  1.677122       3.811574  159.4791 63.69490 193.3294 81.51585 -33.85036      103.4499 
1 1 1 6  18 28 o 224.4822 61.49126 4.204398       2.010765  6.895470       2.407293  -2.006331      3.657106  289.1534 60.76149 148.4878 69.52600 140.6656       92.33539 
1 1 1 6  18 30 o 148.3746 59.71347 1.354850       1.922685  -0.8094528     2.155776  9.771004       4.251101  120.2275 55.27384 302.0769 91.54274 -181.8494      106.9358 
1 1 1 6  18 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  18 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  19 1  o 315.6393 21.37892 7.109397       0.9493502 6.921231       1.380205  7.278360       1.307881  309.7996 31.93777 318.2191 29.37300 -8.419495      43.39118 
1 1 1 6  19 3  o 323.3064 21.73821 7.458162       0.9888407 7.820437       1.726653  7.281356       1.206241  328.4306 37.83934 318.7106 26.99722 9.720062       46.48296 
1 1 1 6  19 5  o 222.6271 25.84116 3.571302       0.7990522 3.752563       1.090832  3.361426       1.173783  226.6444 35.14633 213.2526 40.37112 13.39185       53.52655 
1 1 1 6  19 7  o 205.2028 23.99007 3.031470       0.6835499 2.862798       0.9988988 3.180012       0.9374004 197.0728 37.17868 208.7711 32.80840 -11.69827      49.58473 
1 1 1 6  19 9  f 410.0543 12.77171 11.92147       0.7402531 12.26463       1.093749  11.63142       1.005555  415.4628 18.64981 404.6677 17.60059 10.79510       25.64364 
1 1 1 6  19 11 f 576.3655 26.65076 23.65670       2.167955  22.99940       2.929748  24.45223       3.223109  566.6577 36.73128 583.8659 39.23471 -17.20819      53.74523 
1 1 1 6  19 13 o 129.3091 38.78717 1.207182       0.7660060 0.8980184      0.8044306 4.213421       2.508453  117.1774 40.20744 237.7634 69.91193 -120.5861      80.64933 
1 1 1 6  19 15 o 749.7375 16.13099 39.86335       1.711552  40.03551       1.898932  39.11790       3.951433  751.1660 17.86298 738.0468 37.95879 13.11914       41.95182 
1 1 1 6  19 17 o 565.8533 19.73199 22.77523       1.577718  23.70119       1.791268  19.57153       3.331896  576.8974 21.98048 518.4132 45.88804 58.48419       50.88078 
1 1 1 6  19 19 o 373.0902 42.03310 10.17453       2.180768  10.17453       2.180768  0.000000       0.000000  373.0902 42.03310 ?        ?        ?              ?        
1 1 1 6  19 21 o 173.9347 67.04446 1.659763       2.332677  1.659763       2.332677  0.000000       0.000000  173.9347 67.04446 ?        ?        ?              ?        
1 1 1 6  19 23 o 297.5649 44.71168 6.645379       1.824713  6.369972       2.128966  7.407680       3.541974  287.5227 54.31104 298.4706 81.55309 -10.94788      97.98262 
1 1 1 6  19 25 o 159.4730 60.81769 1.594946       1.905706  2.902827       2.305222  -1.228421      3.386979  194.5229 67.99590 152.6670 69.85020 41.85590       97.48074 
1 1 1 6  19 27 o 120.6890 53.64730 -0.2794827     1.837693  0.2001406      2.120471  -1.726607      3.683284  136.2084 59.16719 151.4482 70.53557 -15.23985      92.06532 
1 1 1 6  19 29 o 135.5216 57.18719 0.7052590      1.878350  0.9736935      2.152091  -0.1531601     3.848497  146.1215 61.41053 162.5056 74.39140 -16.38412      96.46415 
1 1 1 6  19 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  19 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  20 0  f 258.9471 40.54355 5.104429       1.377141  5.104429       1.377141  5.104429       1.377141  258.9471 40.54355 258.9471 40.54355 0.000000       0.000000 
1 1 1 6  20 2  o 198.1205 36.25902 2.888971       0.9791831 2.992760       1.669789  2.834574       1.208848  200.6095 56.44995 194.9706 44.75880 5.638901       72.04129 
1 1 1 6  20 4  o 547.5372 17.94428 21.28247       1.388585  23.39822       2.276860  20.02951       1.752152  572.8252 28.17272 530.5468 23.39361 42.27838       36.61916 
1 1 1 6  20 6  o 147.5505 39.22868 1.610369       0.8331953 0.9078172      1.708038  1.829750       0.9544585 145.0250 56.95177 157.2148 42.07187 -12.18977      70.80640 
1 1 1 6  20 8  o 262.7755 24.13140 4.944404       0.8873903 4.377849       1.925898  5.097107       0.9998526 241.5931 57.21655 266.4647 26.88116 -24.87164      63.21654 
1 1 1 6  20 10 o 225.7367 53.43448 3.815614       1.680377  6.485956       2.308417  0.8057200      2.450792  294.8772 57.38190 163.9914 66.89748 130.8859       88.13600 
1 1 1 6  20 12 f 251.3810 43.23712 4.657542       1.482735  4.906709       1.865981  4.230706       2.442264  256.0818 53.22738 237.5297 68.74175 18.55205       86.94011 
1 1 1 6  20 14 o 308.1909 19.99897 6.773843       0.8675523 7.038294       0.9155447 4.447947       2.715200  314.0865 20.71293 242.9442 73.05991 71.14233       75.93929 
1 1 1 6  20 16 o 439.8678 16.08384 13.74736       0.9995392 13.65954       1.053019  14.54664       3.176835  438.3525 17.00660 444.3994 51.46291 -6.046875      54.20015 
1 1 1 6  20 18 f 118.2948 47.82434 0.4738195      1.239446  0.8417510      1.380297  -1.057991      2.816382  132.3489 51.42099 145.7385 65.47818 -13.38965      83.25569 
1 1 1 6  20 20 o 172.0982 63.84157 1.830002       2.068389  1.830002       2.068389  0.000000       0.000000  172.0982 63.84157 ?        ?        ?              ?        
1 1 1 6  20 22 f 154.9843 57.54251 1.500668       1.681030  1.900927       1.924756  0.2136310      3.451442  169.3448 61.79417 173.3379 75.38886 -3.993088      97.47820 
1 1 1 6  20 24 o 309.6997 44.42904 7.292382       1.891586  6.334608       2.173424  10.28363       3.840956  282.5509 56.33101 345.1795 80.16669 -62.62863      97.97898 
1 1 1 6  20 26 o 164.8079 59.92334 1.982689       1.807672  0.6683491      2.110581  5.601307       3.502027  143.5251 60.59481 247.7297 83.91476 -104.2046      103.5056 
1 1 1 6  20 28 o 196.7665 61.88739 3.330318       1.921708  4.184101       2.244585  0.9864411      3.719031  216.9700 66.66988 172.5002 76.51782 44.46985       101.4882 
1 1 1 6  20 30 o 95.50620 46.20552 -2.317981      1.909987  -3.057317      2.290047  -0.6283265     3.461965  100.9620 49.24281 145.9663 68.11585 -45.00431      84.05132 
1 1 1 6  20 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  21 1  f 486.0246 19.54870 16.78323       1.341865  18.94276       2.211766  15.52536       1.688018  514.9681 30.48503 466.7207 25.65510 48.24734       39.84371 
1 1 1 6  21 3  o 340.7185 25.55698 8.294553       1.223344  10.08701       1.960631  7.151835       1.565457  374.0508 37.54498 314.6548 35.79032 59.39594       51.87073 
1 1 1 6  21 5  o 208.5002 34.12842 3.177667       0.9722215 6.015102       1.924288  2.205112       1.126586  285.4616 49.42126 172.3344 45.52183 113.1273       67.19151 
1 1 1 6  21 7  o 219.6698 28.47861 3.488989       0.8645201 5.334708       1.890092  3.000686       0.9721758 267.9181 51.72271 202.2554 35.24486 65.66273       62.58945 
1 1 1 6  21 9  o 414.8634 15.88739 12.21855       0.9310520 16.14940       2.791758  11.72665       0.9875916 472.9184 42.15443 406.2967 17.21471 66.62173       45.53397 
1 1 1 6  21 11 o 343.2956 34.88806 8.507988       1.671461  11.32986       2.124320  3.921647       2.708223  395.9239 38.39443 231.2931 73.56034 164.6308       82.97744 
1 1 1 6  21 13 o 288.2996 41.63434 6.100119       1.649546  5.469185       2.077441  7.176628       2.713597  269.0476 56.36827 306.8322 64.54096 -37.78464      85.69083 
1 1 1 6  21 15 o 205.3615 56.97447 3.189503       1.713908  2.937135       2.144444  3.635772       2.851650  201.2125 65.59312 224.4511 75.72395 -23.23863      100.1827 
1 1 1 6  21 17 o 139.5347 41.60630 1.428138       0.8834013 1.386350       0.9270351 1.840956       2.913741  138.4013 42.90173 189.6527 74.41246 -51.25148      85.89396 
1 1 1 6  21 19 o 398.4736 34.90674 11.53490       1.948610  11.53490       1.948610  0.000000       0.000000  398.4736 34.90674 ?        ?        ?              ?        
1 1 1 6  21 21 o 157.5763 61.87769 1.301400       2.016196  1.301400       2.016196  0.000000       0.000000  157.5763 61.87769 ?        ?        ?              ?        
1 1 1 6  21 23 o 175.5918 58.03009 2.363826       1.676079  1.826159       1.887259  4.371024       3.646450  164.2427 60.97195 231.2443 84.94541 -67.00160      104.5624 
1 1 1 6  21 25 o 145.4550 57.62223 1.191442       1.762241  2.060462       2.018250  -1.596970      3.615252  169.1997 63.00635 150.9523 70.16121 18.24733       94.29949 
1 1 1 6  21 27 o 118.6912 52.82109 -0.1741395     1.786839  -0.1883236     2.072817  -0.1331107     3.525375  126.6127 56.58243 158.1225 71.92891 -31.50983      91.51688 
1 1 1 6  21 29 o 164.7749 70.25179 1.841028       2.884463  -0.2160104     3.600841  5.524860       4.818731  151.3231 70.22652 216.1809 91.42841 -64.85780      115.2862 
1 1 1 6  21 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  22 0  o 133.8563 70.02306 1.874289       1.741201  1.874289       1.741201  1.874289       1.741201  133.8563 70.02306 133.8563 70.02306 0.000000       0.000000 
1 1 1 6  22 2  o 181.8293 45.46115 2.464045       1.166620  1.916627       1.730192  2.920405       1.579752  170.4430 58.94727 198.0980 54.59938 -27.65495      80.34845 
1 1 1 6  22 4  o 265.6269 28.66005 5.078216       1.060345  4.912127       1.898236  5.153544       1.278385  256.2869 54.04099 266.5812 34.70874 -10.29428      64.22714 
1 1 1 6  22 6  o 111.6185 42.62077 0.6198767      0.9366716 -0.6333996     1.837666  1.059763       1.088712  120.5976 53.62442 130.7955 46.63773 -10.19795      71.06797 
1 1 1 6  22 8  f 269.0072 24.03010 5.185527       0.9052047 5.476102       2.036718  5.114002       1.010491  270.1646 55.13840 266.6652 27.15446 3.499420       61.46225 
1 1 1 6  22 10 o 118.8311 51.45457 -0.1577875     1.593287  0.3114747      1.946284  -1.111201      2.774209  139.5962 58.51705 144.7779 65.02128 -5.181732      87.47578 
1 1 1 6  22 12 o 221.6729 52.78267 3.720713       1.631979  1.753533       1.986744  7.801804       2.861594  170.1382 62.66668 319.4030 65.50665 -149.2648      90.65448 
1 1 1 6  22 14 o 118.4572 52.60639 -0.5379412     1.762943  0.4110351      2.289622  -1.919776      2.762893  150.9332 63.38196 134.8012 62.19072 16.13200       88.79729 
1 1 1 6  22 16 o 386.7246 36.91369 10.87456       1.995785  11.35430       2.531926  10.08739       3.243291  392.2391 46.51670 362.1876 65.69359 30.05154       80.49504 
1 1 1 6  22 18 o 283.2395 25.08368 5.780323       0.9950760 5.753369       1.044436  6.045439       3.275560  282.2912 26.45168 273.8846 79.71191 8.406525       83.98618 
1 1 1 6  22 20 f 183.5919 61.19497 2.519399       1.862887  2.519399       1.862887  0.000000       0.000000  183.5919 61.19497 ?        ?        ?              ?        
1 1 1 6  22 22 f 147.4508 55.68449 1.369501       1.588146  1.053333       1.819197  2.382421       3.256179  145.3659 58.22835 194.3435 77.88326 -48.97757      97.24372 
1 1 1 6  22 24 o 125.4297 52.78693 0.4460177      1.593558  -0.4542695     1.778723  4.107304       3.587026  115.9437 52.06851 219.9801 83.54678 -104.0363      98.44386 
1 1 1 6  22 26 o 99.30756 46.66876 -1.331484      1.673750  -0.3778901     1.902493  -4.597125      3.520672  119.0725 53.62959 124.1414 60.65847 -5.068947      80.96655 
1 1 1 6  22 28 o 155.6292 64.09318 1.702019       2.276858  4.302764       2.970611  -2.001502      3.544903  204.9773 76.41817 136.1358 65.10340 68.84143       100.3902 
1 1 1 6  22 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  22 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  23 1  o 116.6705 51.94495 -0.6169441     1.730026  -2.583397      2.547189  1.066966       2.357104  122.4215 57.54385 165.6118 66.29990 -43.19038      87.78936 
1 1 1 6  23 3  o 206.1970 38.81069 3.142798       1.090991  2.019846       1.832268  3.759615       1.357958  174.5195 60.64501 224.9198 44.23872 -50.40034      75.06585 
1 1 1 6  23 5  o 107.2006 43.15262 0.3867586      1.004345  -0.6974465     1.938256  0.7847190      1.174290  123.0750 54.87746 124.7871 47.70382 -1.712097      72.71307 
1 1 1 6  23 7  o 348.0471 21.77592 8.644640       1.067217  8.670942       2.192546  8.636473       1.221712  343.5916 46.26527 347.4146 25.01605 -3.822906      52.59542 
1 1 1 6  23 9  o 136.4194 36.83862 1.381172       0.7277585 1.995817       2.582376  1.328145       0.7585020 187.1425 70.93128 134.2224 38.14162 52.92010       80.53589 
1 1 1 6  23 11 o 168.0997 58.89201 1.883504       1.729861  1.341391       2.101658  3.022271       3.046033  163.3306 63.45266 214.0308 77.79139 -50.70024      100.3880 
1 1 1 6  23 13 o 119.3092 52.65200 -0.4180539     1.739068  -0.5653508E-01 2.219357  -0.9931476     2.799182  141.1150 60.91506 145.7921 65.40804 -4.677078      89.38039 
1 1 1 6  23 15 o 140.8232 57.95036 0.5886996      1.859428  0.3112476      2.378763  1.024531       2.981374  150.9216 64.05098 176.8398 73.13535 -25.91821      97.21783 
1 1 1 6  23 17 o 327.0367 49.09516 8.049807       2.202149  7.417630       2.885953  8.930946       3.407158  305.7901 68.40262 333.4878 74.11506 -27.69772      100.8561 
1 1 1 6  23 19 o 161.0225 46.27382 1.980193       1.110326  1.980193       1.110326  0.000000       0.000000  161.0225 46.27382 ?        ?        ?              ?        
1 1 1 6  23 21 o 150.0782 57.18838 1.411824       1.684177  1.411824       1.684177  0.000000       0.000000  150.0782 57.18838 ?        ?        ?              ?        
1 1 1 6  23 23 o 140.2746 55.31913 1.123924       1.617484  0.4933496      1.823434  3.451906       3.503576  132.5429 56.15733 207.9988 81.60134 -75.45593      99.05769 
1 1 1 6  23 25 o 135.3036 59.17221 0.3023115      2.151548  -0.2657846     2.851179  1.053672       3.278972  143.5251 65.05054 166.3358 72.88815 -22.81073      97.69470 
1 1 1 6  23 27 o 120.8636 55.58576 -0.5439417     2.182831  -0.9315774     2.823143  0.3227233E-01  3.442016  130.9609 61.24375 150.3979 69.39635 -19.43698      92.55620 
1 1 1 6  23 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  23 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  24 0  o 219.1212 87.00072 4.810802       2.603074  4.810802       2.603074  4.810802       2.603074  219.1212 87.00072 219.1212 87.00072 0.000000       0.000000 
1 1 1 6  24 2  o 184.9180 53.17901 2.550522       1.465927  1.636352       2.809633  2.892465       1.718356  185.3448 72.96542 196.8567 57.85810 -11.51187      93.12095 
1 1 1 6  24 4  o 115.2946 45.45708 0.5600761      1.091943  2.686316       2.036186  -0.2982332     1.293699  193.8748 63.95621 103.8904 45.64587 89.98436       78.57444 
1 1 1 6  24 6  o 142.8326 44.79111 1.466203       1.007357  3.396986       2.110139  0.8962950      1.146428  212.7942 64.49734 126.8073 47.43343 85.98693       80.06145 
1 1 1 6  24 8  o 225.8708 30.90435 3.717099       0.9619910 7.089435       3.069884  3.349887       1.013013  301.3450 72.80553 213.4000 34.73656 87.94495       80.66767 
1 1 1 6  24 10 o 248.8315 54.25496 4.711133       1.856588  6.153636       2.404656  2.582125       2.921348  282.9700 61.78344 203.1940 75.77625 79.77599       97.77134 
1 1 1 6  24 12 o 138.5332 57.18037 0.5281040      1.817603  0.1125320      2.258847  1.291385       3.061298  144.5710 61.91640 182.9720 74.71894 -38.40099      97.03896 
1 1 1 6  24 14 o 110.9126 51.58679 -1.591863      1.959698  -3.518888      2.462842  1.733982       3.235518  109.9710 53.02189 192.1688 77.41877 -82.19777      93.83489 
1 1 1 6  24 16 o 124.1007 55.54530 -0.6363485     2.005761  -0.1899198     2.628572  -1.258601      3.103325  148.8446 65.24082 148.7514 67.59559 0.9313965E-01  93.94428 
1 1 1 6  24 18 f 165.2617 78.53923 -4.043993      4.994766  -4.043993      4.994766  0.000000       0.000000  165.2617 78.53923 ?        ?        ?              ?        
1 1 1 6  24 20 o 112.2149 45.22692 0.5291505      1.104701  0.5291505      1.104701  0.000000       0.000000  112.2149 45.22692 ?        ?        ?              ?        
1 1 1 6  24 22 o 135.9142 53.15934 1.083318       1.483089  0.4438388      1.655480  3.682967       3.337859  126.6027 53.56850 209.5771 80.34930 -82.97443      96.56912 
1 1 1 6  24 24 o 93.17066 45.84864 -3.695775      2.124635  0.3178634      2.937043  -8.101713      3.077234  151.2412 67.48690 96.75992 48.74936 54.48132       83.25252 
1 1 1 6  24 26 o 168.9154 64.96190 2.493588       2.186498  2.920715       2.900962  1.931798       3.326980  179.2815 72.91432 168.2085 73.57145 11.07300       103.5821 
1 1 1 6  24 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  24 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  25 1  o 113.6931 49.91813 -0.3183984     1.544753  -1.730611      2.707353  0.3632870      1.880992  135.0251 62.02770 137.8295 57.63446 -2.804306      84.67094 
1 1 1 6  25 3  o 225.1006 49.28542 3.829373       1.526437  6.147211       3.270702  3.183948       1.725927  279.6251 79.11621 204.8590 57.30017 74.76613       97.68667 
1 1 1 6  25 5  o 85.31284 39.48874 -0.9090708     1.127378  -0.6732040     2.210185  -0.9920225     1.310713  131.8893 58.71721 92.78338 42.81615 39.10593       72.67004 
1 1 1 6  25 7  o 160.7935 46.30988 1.927181       1.110899  8.039918       3.085733  1.016946       1.190741  321.1954 69.87632 131.4101 48.49509 189.7853       85.05572 
1 1 1 6  25 9  o 85.32258 37.42528 -0.1910360     0.8663971 2.254782       2.491349  -0.5275243     0.9240754 189.0814 70.07972 81.29740 36.92056 107.7840       79.21045 
1 1 1 6  25 11 o 208.6922 62.60753 3.332617       1.995658  5.081604       2.628974  0.9543445      3.065659  253.8371 70.61623 177.1543 73.79028 76.68272       102.1355 
1 1 1 6  25 13 o 143.8302 60.91882 0.3412064      2.144528  1.186226       2.643780  -1.284451      3.666961  170.4786 69.50500 162.9935 73.83350 7.485107       101.4018 
1 1 1 6  25 15 o 123.0285 56.28447 -1.167010      2.198481  -0.6935553     2.711345  -2.075784      3.756414  143.8836 64.47647 155.9280 72.14187 -12.04434      96.75569 
1 1 1 6  25 17 o 118.6607 57.23737 -3.693005      2.877809  -2.000254      5.087507  -4.489495      3.489787  178.8999 83.17785 129.1608 62.48002 49.73904       104.0303 
1 1 1 6  25 19 o 303.2621 108.1402 9.924211       5.853538  9.924211       5.853538  0.000000       0.000000  303.2621 108.1402 ?        ?        ?              ?        
1 1 1 6  25 21 o 146.9486 61.81005 0.8871359      2.183063  1.251385       2.890746  0.4036787      3.330349  165.6501 70.46652 162.3763 72.19625 3.273804       100.8852 
1 1 1 6  25 23 o 129.9421 57.97599 -0.2228652E-01 2.166876  -2.444636      2.888270  3.096593       3.277319  122.7747 58.72771 191.6951 77.66980 -68.92036      97.37321 
1 1 1 6  25 25 o 113.2545 52.80458 -0.8924353     2.073206  -1.806824      2.681263  0.4670359      3.269331  119.1996 56.89889 150.4067 68.74424 -31.20708      89.23707 
1 1 1 6  25 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  25 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  26 0  o 176.0457 80.00974 3.300393       2.156112  3.300393       2.156112  3.300393       2.156112  176.0457 80.00974 176.0457 80.00974 0.000000       0.000000 
1 1 1 6  26 2  o 216.6482 55.13241 3.594277       1.694310  4.235221       3.323924  3.369283       1.969364  238.8096 81.73763 210.2631 61.97764 28.54646       102.5781 
1 1 1 6  26 4  o 85.95431 41.46370 -2.273611      1.510794  2.796982       3.457336  -3.470386      1.679649  214.0614 81.84799 82.51656 40.63689 131.5449       91.38080 
1 1 1 6  26 6  o 168.2506 49.36132 2.120131       1.251677  0.7326779      2.660738  2.514433       1.418428  164.7518 68.69382 182.3368 52.27080 -17.58499      86.31963 
1 1 1 6  26 8  o 76.93102 36.34403 -1.153730      1.039441  -1.080366      2.445461  -1.169907      1.148337  133.2391 60.33107 82.21227 38.64154 51.02679       71.64500 
1 1 1 6  26 10 o 122.6267 56.03093 -1.194976      2.169846  -3.574766      2.707188  3.080559       3.628643  116.8716 56.15470 218.3984 83.76478 -101.5269      100.8459 
1 1 1 6  26 12 o 160.0671 62.83126 1.351776       2.078122  1.528051       2.703209  1.097067       3.249420  176.3173 70.85803 180.4170 75.61837 -4.099686      103.6291 
1 1 1 6  26 14 o 133.5382 57.99325 0.1763437E-01  2.036140  -0.2440209     2.653205  0.3925223      3.175827  146.8692 64.91451 167.1980 72.52036 -20.32883      97.32983 
1 1 1 6  26 16 o 198.4476 67.05582 3.158947       2.236168  4.214216       2.959049  1.753866       3.414453  223.8711 77.10395 186.1005 77.72312 37.77063       109.4801 
1 1 1 6  26 18 f 220.2443 94.78273 3.393944       5.341547  3.393944       5.341547  0.000000       0.000000  220.2443 94.78273 ?        ?        ?              ?        
1 1 1 6  26 20 o 153.8243 75.02023 -5.213905      5.312431  -5.213905      5.312431  0.000000       0.000000  153.8243 75.02023 ?        ?        ?              ?        
1 1 1 6  26 22 o 98.07858 47.72353 -2.882399      2.115799  2.707264       2.993274  -8.463984      2.991111  182.0984 74.06334 92.60127 46.82334 89.49709       87.62308 
1 1 1 6  26 24 o 136.4924 60.00952 0.7054361      2.239364  2.524838       2.977306  -1.664643      3.398134  170.7274 72.01841 133.1723 63.70111 37.55516       96.14823 
1 1 1 6  26 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  26 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  27 1  o 116.2297 50.40352 -0.1139242     1.533505  -1.586628      2.172983  1.347235       2.164449  118.3934 54.80871 163.2815 64.11402 -44.88810      84.34811 
1 1 1 6  27 3  o 135.2432 53.78534 0.7968976      1.541047  1.514280       2.531104  0.3743273      1.942603  174.2851 69.05315 138.7854 58.33733 35.49969       90.39680 
1 1 1 6  27 5  o 155.9437 56.70084 1.561498       1.618482  0.3694491      3.806356  1.824586       1.788187  184.0918 79.62153 165.9256 59.69891 18.16620       99.51657 
1 1 1 6  27 7  o 119.7037 51.34133 0.4646368E-01  1.557335  0.000000       0.000000  0.4646368E-01  1.557335  ?        ?        119.7037 51.34133 ?              ?        
1 1 1 6  27 9  o 196.7555 30.38415 2.854883       0.8188256 4.574104       2.866073  2.702085       0.8544384 238.5283 75.65151 190.6830 32.84814 47.84532       82.47516 
1 1 1 6  27 11 o 135.4750 58.94660 -0.1683532E-01 2.111997  -1.369097      2.665126  2.265893       3.462697  134.2215 61.61559 198.8235 80.09383 -64.60199      101.0520 
1 1 1 6  27 13 o 208.6887 66.65440 3.538698       2.221688  2.878916       2.795726  4.669396       3.659885  197.6606 74.04485 235.7402 85.32880 -38.07962      112.9763 
1 1 1 6  27 15 o 101.9200 49.29366 -2.954688      2.169724  -1.956956      2.844219  -4.343566      3.355740  130.1064 61.04551 124.8804 60.61211 5.225945       86.02547 
1 1 1 6  27 17 o 169.6006 80.57086 -2.505483      5.246680  -2.505483      5.246680  0.000000       0.000000  169.6006 80.57086 ?        ?        ?              ?        
1 1 1 6  27 19 o 256.1620 101.2444 7.726067       5.428738  7.726067       5.428738  0.000000       0.000000  256.1620 101.2444 ?        ?        ?              ?        
1 1 1 6  27 21 o 109.6470 51.43179 -1.216620      2.016521  1.106003       2.781114  -3.791324      2.928148  154.3953 67.40322 112.5246 55.05391 41.87065       87.02946 
1 1 1 6  27 23 o 142.0524 59.95668 1.300368       2.065446  3.232614       2.755476  -1.177578      3.120408  179.4198 71.73250 131.0159 62.21047 48.40381       94.95100 
1 1 1 6  27 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  27 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  28 0  o 97.16213 63.96575 -0.2681281     2.240130  -0.2681281     2.240130  -0.2681281     2.240130  97.16213 63.96575 97.16213 63.96575 0.000000       0.000000 
1 1 1 6  28 2  o 110.0242 49.62575 -0.6867618     1.635775  -4.087210      2.405116  2.240000       2.231319  103.1573 50.34663 181.9165 66.50977 -78.75924      83.41662 
1 1 1 6  28 4  o 106.3925 47.66689 -0.5257516     1.481110  0.3389729      2.677731  -0.9069260     1.777829  156.7972 67.28788 112.0367 51.00933 44.76051       84.43702 
1 1 1 6  28 6  o 85.33379 42.00903 -3.565550      1.789591  0.000000       0.000000  -3.565550      1.789591  ?        ?        85.33379 42.00903 ?              ?        
1 1 1 6  28 8  o 198.6768 52.02363 3.097338       1.479725  8.258918       4.806265  2.556859       1.555269  300.5388 98.21321 181.5323 55.44284 119.0065       112.7818 
1 1 1 6  28 10 o 175.3912 82.14792 -2.452297      5.112020  -2.452297      5.112020  0.000000       0.000000  175.3912 82.14792 ?        ?        ?              ?        
1 1 1 6  28 12 o 305.4799 103.2259 9.663543       5.299187  9.663543       5.299187  0.000000       0.000000  305.4799 103.2259 ?        ?        ?              ?        
1 1 1 6  28 14 o 250.3451 98.78632 6.280200       5.160805  6.280200       5.160805  0.000000       0.000000  250.3451 98.78632 ?        ?        ?              ?        
1 1 1 6  28 16 f 205.7424 92.64240 2.400486       5.673213  2.400486       5.673213  0.000000       0.000000  205.7424 92.64240 ?        ?        ?              ?        
1 1 1 6  28 18 o 170.0140 80.75555 -1.254530      5.266979  -1.254530      5.266979  0.000000       0.000000  170.0140 80.75555 ?        ?        ?              ?        
1 1 1 6  28 20 o 136.2524 58.13980 0.8891398      1.978523  0.3792168      2.645050  1.536866       2.981105  141.0149 63.39737 160.1024 69.84171 -19.08749      94.32439 
1 1 1 6  28 22 o 149.2729 61.11636 1.780969       2.054750  3.447501       2.816759  -0.1144641     3.003980  180.7193 72.43282 136.9367 63.75106 43.78264       96.49203 
1 1 1 6  28 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  28 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  29 1  o 106.2584 49.24276 -1.243878      1.760968  0.4793325      2.507469  -2.920913      2.473646  152.9518 65.36372 113.3119 54.24111 39.63994       84.93829 
1 1 1 6  29 3  o 129.9575 54.19806 0.4842141      1.656812  -1.469802      2.608700  1.805261       2.144959  130.8033 60.37631 168.6191 64.46947 -37.81587      88.32674 
1 1 1 6  29 5  o 134.8211 53.19847 0.9357840      1.496606  1.760660       2.669107  0.5575149      1.807474  175.8401 70.49801 135.3194 56.53450 40.52071       90.36658 
1 1 1 6  29 7  o 154.7335 56.82407 1.646304       1.631573  -4.310389      4.270266  2.664525       1.765523  146.4663 70.41379 183.5558 59.49310 -37.08952      92.18205 
1 1 1 6  29 9  o 79.96243 37.08739 -0.7564873     1.002033  0.2319242      4.792612  -0.8016696     1.024679  186.8107 84.53658 80.35671 37.35027 106.4540       92.42010 
1 1 1 6  29 11 o 208.4474 88.67126 3.012491       4.577220  3.012491       4.577220  0.000000       0.000000  208.4474 88.67126 ?        ?        ?              ?        
1 1 1 6  29 13 o 206.1469 91.52819 2.630741       5.333640  2.630741       5.333640  0.000000       0.000000  206.1469 91.52819 ?        ?        ?              ?        
1 1 1 6  29 15 o 174.1248 81.46510 -0.4072551     5.004307  -0.4072551     5.004307  0.000000       0.000000  174.1248 81.46510 ?        ?        ?              ?        
1 1 1 6  29 17 o 169.4315 80.02652 -0.3341780     5.034732  -0.3341780     5.034732  0.000000       0.000000  169.4315 80.02652 ?        ?        ?              ?        
1 1 1 6  29 19 o 161.3346 76.53744 0.2124219      4.702267  0.2124219      4.702267  0.000000       0.000000  161.3346 76.53744 ?        ?        ?              ?        
1 1 1 6  29 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  29 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  29 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  30 0  o 74.92769 53.48915 -3.416235      2.545170  -3.416235      2.545170  -3.416235      2.545170  74.92769 53.48915 74.92769 53.48915 0.000000       0.000000 
1 1 1 6  30 2  o 111.6219 50.90436 -0.7759541     1.779821  -1.273016      2.665081  -0.3757975     2.391223  132.0964 60.99174 135.2351 60.57962 -3.138748      85.96442 
1 1 1 6  30 4  o 177.8530 54.17440 2.541479       1.486226  5.265508       2.677204  1.328017       1.786853  244.7236 72.29571 148.6749 58.29100 96.04872       92.86824 
1 1 1 6  30 6  o 129.1601 53.23675 0.6826107      1.572586  -3.322455      3.385029  1.784914       1.775857  131.2944 63.00837 158.4126 59.07978 -27.11826      86.37404 
1 1 1 6  30 8  o 103.1529 46.83161 -0.5706186     1.485378  2.589166       4.362034  -0.9850759     1.579793  200.0055 85.85660 100.7620 46.67656 99.24358       97.72439 
1 1 1 6  30 10 o 94.08489 37.62253 0.3939842      0.7581315 -0.9968618     4.310166  0.4383889      0.7701386 163.4720 76.19129 96.02193 38.07564 67.45004       85.17551 
1 1 1 6  30 12 o 151.6990 73.21561 -3.370996      4.725129  -3.370996      4.725129  0.000000       0.000000  151.6990 73.21561 ?        ?        ?              ?        
1 1 1 6  30 14 o 125.7422 62.75537 -7.839506      4.545646  -7.839506      4.545646  0.000000       0.000000  125.7422 62.75537 ?        ?        ?              ?        
1 1 1 6  30 16 o 168.1145 78.84721 0.6278682      4.736782  0.6278682      4.736782  0.000000       0.000000  168.1145 78.84721 ?        ?        ?              ?        
1 1 1 6  30 18 o 159.4740 75.43533 0.8687674      4.504717  0.8687674      4.504717  0.000000       0.000000  159.4740 75.43533 ?        ?        ?              ?        
1 1 1 6  30 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  30 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  30 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  31 1  o 121.0331 53.20308 0.4158913E-02  1.759446  -0.9105731E-01 2.502772  0.9719424E-01  2.473943  139.1068 62.16959 140.8811 62.45472 -1.774353      88.12292 
1 1 1 6  31 3  o 113.5191 51.00410 -0.3686020     1.709022  2.581897       2.643162  -2.488287      2.240328  182.5974 71.09680 106.5554 51.16828 76.04192       87.59537 
1 1 1 6  31 5  o 127.0788 53.47811 0.5677828      1.635424  2.385048       3.362623  0.4746661E-02  1.871704  185.2549 77.23223 123.8215 54.63400 61.43338       94.60281 
1 1 1 6  31 7  o 112.4760 48.32172 0.2237674      1.383839  4.203679       2.562220  -1.415294      1.644286  213.6492 71.77701 96.97509 45.78242 116.6742       85.13500 
1 1 1 6  31 9  o 115.6110 43.46805 0.8693956      0.9653695 2.836979       2.628012  0.5624806      1.037934  183.3769 71.03364 108.5534 43.80780 74.82347       83.45599 
1 1 1 6  31 11 o 320.4066 97.30663 12.22338       4.799732  12.22338       4.799732  0.000000       0.000000  320.4066 97.30663 ?        ?        ?              ?        
1 1 1 6  31 13 o 173.5293 80.57744 1.218951       4.750776  1.218951       4.750776  0.000000       0.000000  173.5293 80.57744 ?        ?        ?              ?        
1 1 1 6  31 15 o 159.4463 75.13393 0.6724971      4.390689  0.6724971      4.390689  0.000000       0.000000  159.4463 75.13393 ?        ?        ?              ?        
1 1 1 6  31 17 o 138.5164 68.18791 -2.571604      4.713630  -2.571604      4.713630  0.000000       0.000000  138.5164 68.18791 ?        ?        ?              ?        
1 1 1 6  31 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  31 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  32 0  o 76.71988 54.41560 -2.692703      2.482130  -2.692703      2.482130  -2.692703      2.482130  76.71988 54.41560 76.71988 54.41560 0.000000       0.000000 
1 1 1 6  32 2  f 130.0699 54.95370 0.6702546      1.737940  -0.5917383     2.459369  1.929070       2.456270  129.3691 59.31431 165.0508 67.10575 -35.68175      89.56210 
1 1 1 6  32 4  f 188.9202 61.23513 3.158189       1.870414  1.322941       3.212605  4.099287       2.300526  164.8801 72.20123 209.7894 67.90479 -44.90935      99.11649 
1 1 1 6  32 6  o 114.9351 49.37915 0.3205018      1.445119  1.264738       2.437193  -0.1914780     1.794635  152.3584 64.75350 116.4864 52.30745 35.87207       83.24113 
1 1 1 6  32 8  o 108.2937 46.61464 0.2487240      1.292509  1.472267       2.504375  -0.1955023     1.509009  155.1406 65.77585 107.2203 48.06993 47.92023       81.46889 
1 1 1 6  32 10 o 129.4819 57.00842 0.4370112      2.027637  -0.8887404     2.430885  3.468664       3.675979  122.1112 57.01487 187.9070 79.67990 -65.79578      97.97746 
1 1 1 6  32 12 o 129.1541 56.87608 0.5830390      2.019225  -1.026375      2.458966  3.915294       3.538244  119.1367 56.16628 187.2536 78.72230 -68.11691      96.70496 
1 1 1 6  32 14 o 200.8922 85.66451 6.109711       4.290210  6.109711       4.290210  0.000000       0.000000  200.8922 85.66451 ?        ?        ?              ?        
1 1 1 6  32 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  32 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  32 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  33 1  o 128.2891 54.58284 0.7123135      1.734949  0.3003153      2.530874  1.077566       2.382975  138.0931 62.05466 146.1014 63.09426 -8.008316      88.49670 
1 1 1 6  33 3  o 83.80297 41.26755 -2.973564      1.731190  -1.876160      2.608414  -3.837528      2.314413  117.3246 56.03593 95.62853 47.20906 21.69607       73.27156 
1 1 1 6  33 5  o 112.4607 50.16803 -0.8419247E-03 1.621824  -5.283817      2.453518  4.098921       2.161371  90.93456 45.49259 204.5671 65.78440 -113.6326      79.98227 
1 1 1 6  33 7  o 102.2717 48.42232 -1.278400      1.864352  -1.784494      2.488887  -0.6313790     2.814157  113.6839 54.41616 130.5470 61.08142 -16.86311      81.80500 
1 1 1 6  33 9  o 111.1189 50.80767 -0.2493118     1.788173  -1.462828      2.334370  1.473943       2.781774  111.2878 53.11356 150.1919 66.42188 -38.90405      85.04655 
1 1 1 6  33 11 f 102.4851 49.12311 -1.482758      2.043596  -3.472743      2.462638  2.918415       3.662350  98.07015 48.46674 166.5238 74.75409 -68.45361      89.09096 
1 1 1 6  33 13 o 78.72130 39.52011 -4.348876      1.930360  -4.447353      2.416685  -4.175299      3.208469  90.78075 45.37569 108.1383 53.76683 -17.35757      70.35500 
1 1 1 6  33 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  33 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  33 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  34 0  o 71.03135 50.86069 -2.888495      2.371266  -2.888495      2.371266  -2.888495      2.371266  71.03135 50.86069 71.03135 50.86069 0.000000       0.000000 
1 1 1 6  34 2  o 112.9754 50.33095 0.1825980      1.626774  1.598043       2.360612  -1.097546      2.244955  147.1060 63.15433 112.1543 53.11152 34.95168       82.51850 
1 1 1 6  34 4  o 112.7228 51.52959 -0.1488158     1.838010  -2.683554      3.288691  1.002565       2.216492  119.8571 58.57813 135.6730 59.67392 -15.81590      83.62041 
1 1 1 6  34 6  f 132.8239 58.47302 0.9826393      2.132583  0.7431082      2.547628  1.543446       3.898177  135.0914 61.33194 154.3721 72.11794 -19.28065      94.67103 
1 1 1 6  34 8  o 120.3134 53.27605 0.5891973      1.795182  1.743389       2.449543  -0.7499480     2.638518  145.0892 63.30069 119.9195 57.01722 25.16973       85.19354 
1 1 1 6  34 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  34 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  34 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  34 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  35 1  o 115.3981 50.99367 0.5403907      1.636425  1.408647       2.444642  -0.1645275     2.202727  138.4100 61.67829 116.5912 54.38315 21.81885       82.22979 
1 1 1 6  35 3  o 124.9515 57.99168 0.2750531      2.456073  2.277080       3.286851  -2.256191      3.695831  152.0988 69.29128 122.9157 60.48287 29.18311       91.97532 
1 1 1 6  35 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  35 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  35 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  35 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  35 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  35 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  36 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  37 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  37 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  37 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  37 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  37 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6  38 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  0  1  o 959.6598 13.55810 65.21703       1.840520  65.21703       1.840520  65.21703       1.840520  959.6598 13.55810 959.6598 13.55810 0.000000       0.000000 
1 1 1 7  0  3  o 1455.800 15.83536 150.0564       3.261621  150.0564       3.261621  150.0564       3.261621  1455.800 15.83536 1455.800 15.83536 0.000000       0.000000 
1 1 1 7  0  5  o 836.4254 13.78103 49.55460       1.630283  49.55460       1.630283  49.55460       1.630283  836.4254 13.78103 836.4254 13.78103 0.000000       0.000000 
1 1 1 7  0  7  o 1351.983 15.83889 129.4307       3.029573  129.4307       3.029573  129.4307       3.029573  1351.983 15.83889 1351.983 15.83889 0.000000       0.000000 
1 1 1 7  0  9  o 554.2590 22.68277 21.86216       1.772428  21.86216       1.772428  21.86216       1.772428  554.2590 22.68277 554.2590 22.68277 0.000000       0.000000 
1 1 1 7  0  11 o 318.0057 26.29711 7.310226       1.164216  7.310226       1.164216  7.310226       1.164216  318.0057 26.29711 318.0057 26.29711 0.000000       0.000000 
1 1 1 7  0  13 o 1559.240 26.51322 172.4971       5.846717  172.4971       5.846717  172.4971       5.846717  1559.240 26.51322 1559.240 26.51322 0.000000       0.000000 
1 1 1 7  0  15 o 255.1878 79.79257 5.858336       2.527418  5.858336       2.527418  5.858336       2.527418  255.1878 79.79257 255.1878 79.79257 0.000000       0.000000 
1 1 1 7  0  17 o 1158.936 26.02476 95.44714       4.263549  95.44714       4.263549  95.44714       4.263549  1158.936 26.02476 1158.936 26.02476 0.000000       0.000000 
1 1 1 7  0  19 o 1914.766 31.18333 260.4385       8.444975  260.4385       8.444975  260.4385       8.444975  1914.766 31.18333 1914.766 31.18333 0.000000       0.000000 
1 1 1 7  0  21 o 1720.724 30.94780 210.1891       7.530848  210.1891       7.530848  210.1891       7.530848  1720.724 30.94780 1720.724 30.94780 0.000000       0.000000 
1 1 1 7  0  23 o 126.4196 74.19324 1.349981       2.237036  1.349981       2.237036  1.349981       2.237036  126.4196 74.19324 126.4196 74.19324 0.000000       0.000000 
1 1 1 7  0  25 f 540.0151 41.66576 21.13542       3.139485  21.13542       3.139485  21.13542       3.139485  540.0151 41.66576 540.0151 41.66576 0.000000       0.000000 
1 1 1 7  0  27 o 123.4555 77.00785 0.7597191      2.739118  0.7597191      2.739118  0.7597191      2.739118  123.4555 77.00785 123.4555 77.00785 0.000000       0.000000 
1 1 1 7  0  29 o 1201.146 36.60519 103.2913       6.209317  103.2913       6.209317  103.2913       6.209317  1201.146 36.60519 1201.146 36.60519 0.000000       0.000000 
1 1 1 7  0  31 o 103.4543 71.17704 -2.078066      3.419156  -2.078066      3.419156  -2.078066      3.419156  103.4543 71.17704 103.4543 71.17704 0.000000       0.000000 
1 1 1 7  0  33 o 1083.140 39.91687 85.24870       6.099839  85.24870       6.099839  85.24870       6.099839  1083.140 39.91687 1083.140 39.91687 0.000000       0.000000 
1 1 1 7  0  35 f 463.3477 63.15435 17.17096       3.923734  17.17096       3.923734  17.17096       3.923734  463.3477 63.15435 463.3477 63.15435 0.000000       0.000000 
1 1 1 7  0  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  1  0  o 1453.210 15.67530 149.5204       3.222925  149.5204       3.222925  149.5204       3.222925  1453.210 15.67530 1453.210 15.67530 0.000000       0.000000 
1 1 1 7  1  2  o 244.8111 14.32994 4.257057       0.4943019 4.062102       0.6944455 4.457268       0.7037441 238.5959 20.77314 250.0814 20.05236 -11.48555      28.87249 
1 1 1 7  1  4  o 340.9836 12.93576 8.241920       0.6230987 8.297606       0.8182859 8.165073       0.9612721 341.9178 16.96375 338.9565 20.12996 2.961273       26.32459 
1 1 1 7  1  6  o 766.1570 9.876073 41.54498       1.070833  40.54422       1.510446  42.55626       1.518359  756.7885 14.10298 775.3455 13.83756 -18.55707      19.75783 
1 1 1 7  1  8  o 1278.982 11.88192 115.7908       2.150656  117.6748       3.302632  114.4036       2.833872  1289.041 18.10396 1271.126 15.75331 17.91516       23.99834 
1 1 1 7  1  10 o 1778.335 15.35758 223.9448       3.865059  225.2974       5.463880  222.5901       5.468160  1783.040 21.65311 1772.276 21.80168 10.76367       30.72736 
1 1 1 7  1  12 o 1767.972 19.47911 221.5523       4.873762  220.8800       6.891545  222.2250       6.893535  1763.782 27.60908 1769.160 27.53309 -5.378540      38.99144 
1 1 1 7  1  14 o 152.1921 45.23310 1.682720       1.045459  3.108568       1.432605  0.5829177E-01  1.529115  203.9899 50.01548 120.9727 51.34763 83.01720       71.68073 
1 1 1 7  1  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  1  18 o 545.4339 22.08257 21.16357       1.701033  22.14544       2.504628  20.32293       2.317502  556.3758 31.94365 533.1138 30.84887 23.26202       44.40776 
1 1 1 7  1  20 o 782.9702 21.35583 43.51495       2.364154  40.64556       3.212871  46.90319       3.491294  755.5138 30.10938 811.6191 30.44985 -56.10535      42.82252 
1 1 1 7  1  22 o 490.4118 27.14736 17.12927       1.876768  17.62770       2.663857  16.63803       2.644549  495.9594 38.24818 481.6066 39.13774 14.35278       54.72372 
1 1 1 7  1  24 f 1143.875 21.81705 92.87839       3.531787  93.97262       5.034009  91.81768       4.956300  1148.345 31.00411 1135.124 30.88147 13.22095       43.75980 
1 1 1 7  1  26 o 800.7804 25.12856 45.66439       2.844219  43.85726       3.915190  47.68382       4.138783  782.2980 35.45612 815.6367 35.94380 -33.33868      50.48854 
1 1 1 7  1  28 o 1024.506 25.35852 74.80318       3.676701  69.36555       5.002717  81.19004       5.421814  982.3775 36.04498 1062.891 36.09663 -80.51349      51.01183 
1 1 1 7  1  30 o 912.7781 28.15701 59.81273       3.632887  60.23163       5.192423  59.41103       5.084629  909.0790 40.46115 903.2307 39.87609 5.848328       56.80851 
1 1 1 7  1  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  1  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  1  36 o 174.8379 68.65664 2.289722       2.482178  -4.986633      3.438373  10.20875       3.587004  120.0621 58.93034 329.2884 78.15182 -209.2263      97.87999 
1 1 1 7  1  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  2  1  o 591.5476 9.481990 24.76542       0.7937962 25.67879       1.138453  23.90121       1.107386  602.3052 13.35607 581.0827 13.46609 21.22253       18.96629 
1 1 1 7  2  3  o 1004.038 9.803779 71.34667       1.393039  73.78760       2.011577  69.09737       1.931001  1020.968 13.92210 987.9901 13.81052 32.97797       19.61009 
1 1 1 7  2  5  o 2016.795 14.62653 287.9470       4.174679  287.7397       6.362329  288.1037       5.532121  2015.458 22.30605 2016.995 19.38059 -1.537476      29.54940 
1 1 1 7  2  7  o 1532.331 11.88395 166.2037       2.577110  165.9011       3.638402  166.5085       3.650797  1530.678 16.79604 1533.476 16.82252 -2.797852      23.77192 
1 1 1 7  2  9  o 1513.772 12.99222 162.2256       2.783324  157.1279       4.109479  166.5459       3.783166  1489.350 19.49711 1533.501 17.43217 -44.15137      26.15373 
1 1 1 7  2  11 o 1081.938 13.25377 82.88612       2.029373  83.17690       2.845321  82.58504       2.895264  1083.491 18.55608 1079.599 18.94985 3.891724       26.52216 
1 1 1 7  2  13 o 390.4241 25.74568 10.87112       1.414588  11.69936       1.774284  9.426201       2.343511  404.3677 31.24689 359.8825 47.14627 44.48526       56.56093 
1 1 1 7  2  15 o 958.3658 24.54624 65.32095       3.326431  66.33646       4.814585  64.39343       4.601232  963.1821 35.38094 949.2485 34.30752 13.93359       49.28303 
1 1 1 7  2  17 o 345.0926 41.45649 8.662640       1.984150  8.549479       2.806199  8.775769       2.805826  337.7443 60.95207 342.5414 60.06900 -4.797089      85.57710 
1 1 1 7  2  19 o 190.4226 48.56498 2.702423       1.312685  3.775338       1.838170  1.585823       1.875218  224.4628 57.58739 165.2348 60.87861 59.22800       83.80044 
1 1 1 7  2  21 o 791.7604 21.15492 44.48333       2.368294  49.67192       3.505944  40.12860       3.211890  835.5888 29.69501 750.8450 30.28885 84.74377       42.41708 
1 1 1 7  2  23 o 488.0868 28.33469 16.98849       1.948786  14.33706       2.668507  20.01859       2.852703  445.8766 42.81522 528.3693 38.41277 -82.49271      57.52116 
1 1 1 7  2  25 o 915.5456 23.48706 59.60749       3.040672  59.18591       4.321745  60.02075       4.278895  909.9474 33.61788 916.5067 33.04361 -6.559326      47.13854 
1 1 1 7  2  27 o 353.2630 45.18631 9.142128       2.207392  8.451084       3.213272  9.759668       3.037579  331.9675 70.57190 360.2268 61.80898 -28.25928      93.81228 
1 1 1 7  2  29 o 793.8661 28.57052 45.15186       3.204618  47.07107       4.589751  43.32626       4.476405  805.6759 40.38273 772.5540 41.09090 33.12195       57.61273 
1 1 1 7  2  31 o 272.0292 65.66607 5.923624       2.498992  5.096343       3.550042  6.736217       3.518389  250.7362 84.48917 283.5690 82.63762 -32.83287      118.1837 
1 1 1 7  2  33 f 189.5309 68.90286 2.652234       2.389908  3.023436       3.465288  2.315514       3.300418  207.7766 81.26040 194.7000 78.27780 13.07657       112.8303 
1 1 1 7  2  35 f 194.7831 67.85005 3.184939       2.294213  -1.292809      3.019060  9.304477       3.529403  138.7280 64.35455 317.3048 78.92373 -178.5768      101.8355 
1 1 1 7  2  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  3  0  o 953.2610 15.53342 64.36703       2.094300  64.36703       2.094300  64.36703       2.094300  953.2610 15.53342 953.2610 15.53342 0.000000       0.000000 
1 1 1 7  3  2  o 903.9964 9.544199 57.83665       1.221029  57.04420       1.714627  58.65201       1.739228  897.6994 13.49643 910.2623 13.50113 -12.56287      19.09016 
1 1 1 7  3  4  o 1304.420 10.74826 120.4290       1.984155  122.3505       2.838212  118.5923       2.774897  1314.622 15.25542 1294.279 15.14953 20.34363       21.49968 
1 1 1 7  3  6  o 1202.611 10.68736 102.3656       1.818927  104.2696       2.601363  100.5443       2.544288  1213.583 15.14648 1191.709 15.08607 21.87366       21.37769 
1 1 1 7  3  8  o 679.4052 10.49469 32.67196       1.009063  33.12742       1.439399  32.23182       1.414976  684.0230 14.86930 674.7148 14.81866 9.308228       20.99259 
1 1 1 7  3  10 o 812.1418 12.59891 46.69668       1.448054  43.41046       1.947944  50.75572       2.164911  782.8456 17.58250 846.4643 18.07222 -63.61871      25.21408 
1 1 1 7  3  12 o 764.7608 16.40959 41.43801       1.776001  40.49779       2.378523  42.62275       2.669952  755.3005 22.27627 774.6356 24.38526 -19.33502      33.02837 
1 1 1 7  3  14 o 480.2297 20.76588 16.39607       1.407964  18.69056       2.053479  14.36041       1.934194  511.7840 28.46413 448.0572 30.68859 63.72684       41.85686 
1 1 1 7  3  16 o 311.1140 62.33433 7.296082       2.648804  0.000000       0.000000  7.296082       2.648804  ?        ?        311.1140 62.33433 ?              ?        
1 1 1 7  3  18 o 516.9624 22.95533 19.02143       1.675243  21.91466       2.441437  16.44717       2.302929  553.6419 31.28728 478.8562 34.20782 74.78571       46.35805 
1 1 1 7  3  20 o 587.8054 22.85053 24.55077       1.897237  24.93726       2.746160  24.19786       2.624192  591.1059 32.95823 582.3992 31.96119 8.706665       45.91038 
1 1 1 7  3  22 o 1483.380 21.24104 156.0434       4.459107  155.3678       6.275750  156.7322       6.336954  1478.559 29.99213 1485.002 30.15322 -6.443237      42.52933 
1 1 1 7  3  24 o 325.2956 38.73976 7.668512       1.748426  10.05820       2.596185  5.685105       2.365219  370.4593 50.86054 274.5699 62.30298 95.88931       80.42671 
1 1 1 7  3  26 o 677.3838 26.33247 32.71411       2.519522  29.10867       3.504320  36.57222       3.625030  635.9719 39.12492 713.9994 35.99125 -78.02753      53.16135 
1 1 1 7  3  28 o 731.2483 28.09526 38.23533       2.902077  36.13374       4.060600  40.42957       4.149147  706.7664 40.77008 748.2828 39.31877 -41.51642      56.64067 
1 1 1 7  3  30 o 1096.828 26.89069 86.22946       4.174076  91.33322       6.080102  81.67979       5.740589  1120.807 38.38856 1059.895 38.33450 60.91223       54.25141 
1 1 1 7  3  32 f 1006.344 28.73936 73.22684       4.088823  78.55924       6.114805  68.91435       5.499027  1029.953 42.03963 966.3107 40.29986 63.64270       58.23581 
1 1 1 7  3  34 o 805.2233 30.97039 47.49685       3.522674  47.42568       4.888725  47.57372       5.080430  791.2940 43.82658 790.3840 45.61326 0.9099731      63.25614 
1 1 1 7  3  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  3  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  4  1  o 480.0691 10.80613 16.31181       0.7341649 16.81962       1.132959  15.94421       0.9639333 487.1296 16.45788 474.3675 14.37519 12.76205       21.85195 
1 1 1 7  4  3  o 929.5793 9.671500 61.15745       1.272331  60.11506       1.782788  62.23948       1.816377  921.5317 13.67004 937.6730 13.68784 -16.14124      19.34495 
1 1 1 7  4  5  f 686.2300 10.48490 33.33018       1.018249  33.71175       1.574667  33.05596       1.334896  690.0292 16.12507 683.3387 13.80358 6.690491       21.22632 
1 1 1 7  4  7  o 1257.916 10.95764 112.0025       1.950691  112.6914       2.778096  111.3324       2.739693  1261.581 15.56009 1253.957 15.43830 7.624268       21.91934 
1 1 1 7  4  9  o 830.4226 12.01725 48.81855       1.412290  51.93282       2.062992  46.07174       1.937471  856.3052 17.02351 806.5403 16.97421 49.76489       24.04004 
1 1 1 7  4  11 o 998.4119 14.25694 70.59664       2.014448  69.25107       2.526676  72.94408       3.337277  988.5937 18.05976 1014.150 23.25253 -25.55634      29.44206 
1 1 1 7  4  13 o 1395.896 21.00678 138.2421       4.149848  137.0192       6.943900  138.9215       5.175822  1385.905 35.43290 1398.309 26.15509 -12.40491      44.04065 
1 1 1 7  4  15 o 953.8047 23.95445 64.70161       3.230886  66.04558       4.703543  63.50098       4.445680  961.0235 34.64035 942.6605 33.37712 18.36298       48.10392 
1 1 1 7  4  17 o 794.9167 40.60670 45.42945       4.553001  45.42945       4.553001  0.000000       0.000000  794.9167 40.60670 ?        ?        ?              ?        
1 1 1 7  4  19 o 468.0114 24.01946 15.59195       1.585566  15.92168       2.352630  15.31754       2.146217  471.2992 35.53431 462.6353 32.99709 8.663971       48.49222 
1 1 1 7  4  21 o 996.5839 20.21268 70.41236       2.850740  72.49052       4.061532  68.39445       4.002232  1009.841 28.44789 980.8061 28.86503 29.03497       40.52743 
1 1 1 7  4  23 o 1245.984 21.44563 110.1539       3.781563  110.3946       5.408419  109.9237       5.289442  1245.570 30.68190 1243.048 30.06783 2.522217       42.95875 
1 1 1 7  4  25 o 675.0222 26.04107 32.46693       2.483027  36.19406       3.578636  29.00683       3.448062  710.6633 35.69659 635.3204 38.53090 75.34290       52.52501 
1 1 1 7  4  27 o 779.8741 26.60751 43.39479       2.932325  41.67344       4.124779  45.15363       4.169449  760.8206 38.43329 792.4205 37.28402 -31.59998      53.54639 
1 1 1 7  4  29 o 761.1028 28.50372 41.53020       3.064761  43.99815       4.504632  39.40331       4.181803  778.0515 41.05547 736.5663 40.27052 41.48517       57.50884 
1 1 1 7  4  31 o 164.3576 65.63134 1.345778       2.303871  4.657409       3.516762  -1.144032      3.049335  241.4814 84.01181 147.6641 67.06356 93.81731       107.4965 
1 1 1 7  4  33 o 140.8400 61.63859 0.1213828E-01  2.338411  4.473924       3.484050  -3.645461      3.154483  231.8887 83.34292 126.2057 60.63361 105.6831       103.0654 
1 1 1 7  4  35 o 281.9811 67.20853 6.968050       2.643896  5.456281       3.234030  10.01454       4.590933  239.7596 80.64042 307.7394 95.48529 -67.97975      124.9813 
1 1 1 7  4  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  5  0  o 460.3909 15.12610 15.05053       0.9831259 15.05053       0.9831259 15.05053       0.9831259 460.3909 15.12610 460.3909 15.12610 0.000000       0.000000 
1 1 1 7  5  2  o 1148.177 10.15456 93.30512       1.650022  94.23740       2.339967  92.38311       2.327054  1153.770 14.33081 1142.360 14.39407 11.40991       20.31161 
1 1 1 7  5  4  f 650.2715 10.42189 29.92867       0.9590934 29.12503       1.402510  30.63461       1.314490  641.3859 15.45136 657.8276 14.11970 -16.44165      20.93109 
1 1 1 7  5  6  o 1780.586 12.84578 224.4386       3.237002  221.4011       4.515236  227.6505       4.643065  1768.135 18.04451 1792.895 18.29912 -24.75928      25.69946 
1 1 1 7  5  8  o 666.6302 11.21978 31.45748       1.058496  31.27408       1.616012  31.59528       1.400823  664.2927 17.20406 667.9949 14.81803 -3.702271      22.70580 
1 1 1 7  5  10 o 834.0635 12.66701 49.25586       1.495178  48.23116       2.030642  50.46922       2.209689  825.1155 17.38997 843.9772 18.50038 -18.86176      25.39045 
1 1 1 7  5  12 o 808.3950 14.81398 46.29634       1.694787  46.41527       2.164143  46.10775       2.725315  809.1347 18.89928 805.6346 23.92987 3.500061       30.49298 
1 1 1 7  5  14 o 967.0696 25.15955 66.52428       3.440419  65.31950       4.916297  67.68050       4.816220  955.5342 36.42235 973.0690 35.03097 -17.53473      50.53471 
1 1 1 7  5  16 o 1023.170 38.34029 75.08725       5.541839  0.000000       0.000000  75.08725       5.541839  ?        ?        1023.170 38.34029 ?              ?        
1 1 1 7  5  18 f 958.7482 18.97589 65.20351       2.574699  66.71260       3.713226  63.80612       3.573161  968.1609 27.12766 946.9075 26.69062 21.25336       38.05653 
1 1 1 7  5  20 f 1467.494 20.65231 152.7061       4.289086  156.9221       6.150297  148.7144       5.984470  1486.044 29.24453 1446.662 29.23068 39.38208       41.34822 
1 1 1 7  5  22 o 666.3196 23.22052 31.54212       2.186301  35.26692       3.215034  28.33791       2.981905  703.3289 32.38730 630.1162 33.56004 73.21271       46.63919 
1 1 1 7  5  24 o 1569.069 22.60212 174.8702       5.018930  175.0572       7.110965  174.6845       7.084786  1566.917 32.06733 1565.279 31.98270 1.638062       45.29025 
1 1 1 7  5  26 o 959.7819 23.86845 65.52309       3.242027  69.80074       4.715960  61.68992       4.464227  987.4865 33.79556 928.1948 34.04268 59.29175       47.96919 
1 1 1 7  5  28 o 453.4803 38.24747 14.91287       2.431740  12.70274       3.341761  17.40036       3.545252  411.2968 59.10733 485.1873 52.46546 -73.89053      79.03354 
1 1 1 7  5  30 o 1086.716 26.53880 84.70242       4.081476  88.78571       5.836873  80.79553       5.709395  1104.741 37.38747 1053.034 38.37557 51.70740       53.57711 
1 1 1 7  5  32 o 676.3207 32.83416 33.37434       3.133277  31.70353       4.409221  35.07877       4.453354  647.7827 48.44733 683.3732 46.32162 -35.59052      67.02862 
1 1 1 7  5  34 o 578.5482 41.43335 25.31906       3.369958  28.59016       4.292242  20.06222       5.441261  605.6442 50.53822 470.0602 84.91944 135.5841       98.82016 
1 1 1 7  5  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  5  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  6  1  o 1028.154 9.839004 74.81727       1.431624  73.51648       2.003533  76.17431       2.046392  1019.065 13.89232 1037.321 13.93978 -18.25592      19.68029 
1 1 1 7  6  3  o 858.6225 10.35729 52.18007       1.258544  53.43591       1.696020  50.64111       1.877481  868.8082 13.79390 845.7272 15.68648 23.08093       20.88869 
1 1 1 7  6  5  o 1194.311 10.61073 100.9602       1.793422  102.7909       2.562107  99.20145       2.511222  1204.915 15.02523 1183.692 14.99086 21.22278       21.22460 
1 1 1 7  6  7  o 1221.126 10.94638 105.5516       1.891694  106.0159       2.687073  105.0953       2.663600  1223.590 15.51757 1218.270 15.44919 5.320068       21.89686 
1 1 1 7  6  9  o 1140.794 11.76314 92.13512       1.899112  91.63140       2.874571  92.52525       2.529834  1137.295 17.85995 1142.985 15.63982 -5.689575      23.73988 
1 1 1 7  6  11 o 696.2062 15.79579 34.34072       1.556320  34.47037       1.791663  33.94216       3.141326  697.1423 18.17547 690.0460 32.25660 7.096375       37.02480 
1 1 1 7  6  13 o 465.6045 17.39501 15.39313       1.144188  14.37635       1.410226  17.35191       1.957350  449.4365 22.24087 493.0659 28.16790 -43.62936      35.88992 
1 1 1 7  6  15 o 1570.427 26.46115 175.5214       5.880933  172.1189       8.239781  179.0544       8.396216  1550.618 37.54837 1581.567 37.51252 -30.94946      53.07607 
1 1 1 7  6  17 f 359.4840 42.22403 9.392018       2.107215  7.777846       2.989579  10.98578       2.970617  320.2079 68.07047 385.6382 56.07266 -65.43021      88.19144 
1 1 1 7  6  19 o 725.4104 20.58024 37.35071       2.110643  36.34128       2.989705  38.35368       2.980118  714.3442 29.63776 734.0266 28.74366 -19.68237      41.28674 
1 1 1 7  6  21 o 926.0009 23.72406 60.88016       3.106436  64.28497       3.982726  55.59113       4.963881  950.6729 29.63879 882.0909 39.86687 68.58191       49.67721 
1 1 1 7  6  23 o 602.2599 25.72641 25.82347       2.187668  27.47935       3.342335  24.58236       2.893611  619.0507 38.33897 586.0365 35.04972 33.01416       51.94574 
1 1 1 7  6  25 o 748.4142 24.74561 39.88485       2.617354  42.98671       3.856590  37.23621       3.563728  774.5334 35.27647 720.8185 35.03982 53.71490       49.72141 
1 1 1 7  6  27 f 982.6111 25.09790 68.83084       3.487251  61.97325       4.759201  76.78146       5.124468  928.5751 36.28558 1034.243 35.06184 -105.6682      50.45766 
1 1 1 7  6  29 o 971.5557 26.57113 67.60009       3.649972  64.23075       5.088788  71.17009       5.238132  940.9749 38.29347 991.1248 37.41180 -50.14990      53.53534 
1 1 1 7  6  31 o 856.6432 29.02578 53.03742       3.513792  53.34394       5.025432  52.74424       4.914915  849.5424 41.92879 845.3574 41.20654 4.185059       58.78778 
1 1 1 7  6  33 o 158.5460 67.09822 0.8379607      2.598216  -1.837563      3.395582  4.617160       4.035615  145.8831 67.86986 234.5424 88.72261 -88.65935      111.7051 
1 1 1 7  6  35 o 195.3416 76.90762 3.147531       3.121675  3.016933       4.261376  3.298778       4.585894  201.0410 85.54027 206.3221 88.28899 -5.281128      122.9312 
1 1 1 7  6  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  7  0  o 1126.687 14.36648 89.89124       2.289888  89.89124       2.289888  89.89124       2.289888  1126.687 14.36648 1126.687 14.36648 0.000000       0.000000 
1 1 1 7  7  2  o 1156.831 10.38078 94.72109       1.699494  94.92597       2.396997  94.51398       2.409951  1157.927 14.62738 1155.407 14.73850 2.520264       20.76496 
1 1 1 7  7  4  o 626.3809 10.15066 27.77066       0.8998138 28.46926       1.287531  27.10370       1.258039  634.1237 14.34710 618.7281 14.36728 15.39557       20.30413 
1 1 1 7  7  6  o 781.4866 10.20537 43.22837       1.128678  43.42801       1.590794  43.02599       1.601644  783.1693 14.35286 779.5303 14.51822 3.638916       20.41527 
1 1 1 7  7  8  o 1295.606 12.09314 118.8412       2.217339  119.4680       3.372981  118.3642       2.942498  1298.569 18.35394 1292.740 16.08367 5.828857       24.40392 
1 1 1 7  7  10 o 933.5739 11.64887 61.71275       1.539048  66.04356       2.415674  58.75375       1.996758  965.3596 17.68192 910.6857 15.49306 54.67389       23.50925 
1 1 1 7  7  12 o 828.8939 14.45758 48.68362       1.695955  50.63287       2.161057  45.55828       2.736408  844.9998 18.07132 800.5009 24.18229 44.49890       30.18867 
1 1 1 7  7  14 o 835.8705 23.30945 49.69676       2.754650  51.06542       3.971766  48.42819       3.823775  845.0505 33.27599 823.0051 32.89621 22.04541       46.79158 
1 1 1 7  7  16 f 856.5210 18.48541 52.05968       2.240716  51.23133       3.167188  52.88979       3.170517  848.0197 26.42277 861.7350 26.02763 -13.71533      37.08909 
1 1 1 7  7  18 o 717.5911 31.77229 36.73059       3.218602  40.15041       4.676547  33.65283       4.436514  747.5408 44.40499 683.7394 46.11898 63.80145       64.02158 
1 1 1 7  7  20 o 1610.804 24.10233 184.1149       5.494418  181.8994       9.170026  185.3558       6.862698  1596.486 40.61987 1614.980 30.02673 -18.49365      50.51314 
1 1 1 7  7  22 o 1290.501 21.09197 118.1495       3.852081  124.8961       5.603049  112.1026       5.304531  1325.110 29.87807 1255.415 29.85658 69.69580       42.23878 
1 1 1 7  7  24 o 2427.348 26.80610 419.3340       9.208426  414.5032       12.81767  424.4866       13.23785  2406.612 37.63427 2434.844 38.41728 -28.23193      53.77942 
1 1 1 7  7  26 o 1221.090 23.59259 106.0904       4.077024  111.4422       5.933298  101.3031       5.611701  1247.542 33.63702 1189.508 33.36850 58.03430       47.38043 
1 1 1 7  7  28 o 888.6740 27.06862 56.49359       3.400336  58.19838       4.822434  54.80795       4.795282  897.2864 38.06301 870.2368 39.03587 27.04962       54.52148 
1 1 1 7  7  30 o 587.1327 34.33103 25.08756       2.840167  24.43004       3.984094  25.76699       4.049921  570.7609 49.82261 586.6464 49.23478 -15.88550      70.04538 
1 1 1 7  7  32 o 367.0689 54.23586 10.50658       2.732706  9.285589       3.631196  12.10120       4.149770  328.2719 79.10116 374.9848 80.59739 -46.71286      112.9289 
1 1 1 7  7  34 o 386.5659 53.60149 11.97798       2.853578  13.52257       3.592511  9.337442       4.697179  399.9672 65.75060 298.6967 97.05691 101.2704       117.2313 
1 1 1 7  7  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  7  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  8  1  o 704.5103 9.754096 35.12987       0.9725101 35.33454       1.380493  34.92822       1.370239  706.4681 13.80771 702.3950 13.78463 4.073120       19.51074 
1 1 1 7  8  3  o 1230.770 10.65883 107.2220       1.856549  106.0102       2.603420  108.4758       2.648268  1223.601 15.03435 1237.744 15.11859 -14.14294      21.32143 
1 1 1 7  8  5  o 711.9058 10.22329 35.87382       1.029990  36.72713       1.470327  35.05159       1.443301  720.2056 14.42573 703.5832 14.49511 16.62238       20.45018 
1 1 1 7  8  7  o 993.0455 11.22203 69.81203       1.577104  69.77259       2.087404  69.86449       2.407391  992.5908 14.85992 993.1110 17.12888 -0.5202637     22.67632 
1 1 1 7  8  9  o 503.8556 12.48524 17.97750       0.8902724 19.42835       1.358547  16.88552       1.178609  523.2419 18.37499 487.8544 17.09747 35.38757       25.09908 
1 1 1 7  8  11 f 582.7336 15.00824 24.07887       1.236682  23.26555       1.512827  25.71714       2.147094  572.4682 18.69825 601.1168 25.29556 -28.64862      31.45616 
1 1 1 7  8  13 o 363.7847 23.11652 9.441514       1.183952  10.11115       1.437383  8.028569       2.087929  375.9439 27.20049 331.1286 45.77860 44.81528       53.24985 
1 1 1 7  8  15 o 1797.179 20.54452 229.3734       5.225250  223.0877       7.238237  236.2139       7.550916  1769.257 28.90827 1820.382 29.31010 -51.12512      41.16758 
1 1 1 7  8  17 o 1174.111 29.11393 98.10760       4.837599  97.46017       6.745849  98.79308       6.941126  1166.281 40.93430 1173.911 41.84758 -7.629517      58.53920 
1 1 1 7  8  19 o 843.6161 20.55374 50.46683       2.453892  52.04255       3.603794  49.10468       3.350670  855.1661 29.82325 830.8488 28.53876 24.31732       41.27817 
1 1 1 7  8  21 o 717.5107 22.27576 36.55988       2.259198  34.74150       3.230871  38.29966       3.160275  697.9460 32.80157 733.2651 30.52071 -35.31903      44.80465 
1 1 1 7  8  23 o 832.2823 22.87582 49.24390       2.691876  47.59463       3.787265  50.92781       3.826819  816.1969 32.85484 844.5237 32.07720 -28.32684      45.91718 
1 1 1 7  8  25 o 1027.384 25.99750 75.20256       3.776897  76.54502       4.851281  73.13673       6.018000  1034.304 33.18570 1007.509 42.30100 26.79437       53.76491 
1 1 1 7  8  27 o 691.6227 28.52358 34.23746       2.785865  37.57376       4.121632  31.43117       3.780103  720.4686 40.58766 658.7004 40.75000 61.76825       57.51453 
1 1 1 7  8  29 o 378.4821 46.13868 10.67213       2.420314  11.39364       3.446930  9.970436       3.399250  381.7882 66.19348 354.5726 70.22675 27.21561       96.50582 
1 1 1 7  8  31 o 715.8913 34.45987 37.47400       3.480994  36.36323       4.444705  39.23618       5.598270  697.0753 45.30042 714.3155 55.82187 -17.24023      71.89025 
1 1 1 7  8  33 o 121.0882 56.61588 -1.682436      2.410679  -2.696359      2.969993  0.2754680      4.127135  127.2491 60.49948 178.1381 79.70819 -50.88903      100.0679 
1 1 1 7  8  35 o 386.2474 63.39875 12.85294       3.345371  12.72111       4.780529  12.97945       4.683114  343.5332 95.09458 350.8964 92.87009 -7.363251      132.9204 
1 1 1 7  8  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  9  0  o 1086.502 14.55420 83.60332       2.236984  83.60332       2.236984  83.60332       2.236984  1086.502 14.55420 1086.502 14.55420 0.000000       0.000000 
1 1 1 7  9  2  o 669.5487 10.18478 31.73180       0.9650581 30.93100       1.349547  32.56985       1.380579  660.9385 14.42803 678.2236 14.38363 -17.28503      20.37295 
1 1 1 7  9  4  o 757.5203 10.13792 40.61900       1.086833  40.11612       1.525038  41.13798       1.549276  752.6864 14.31683 762.2109 14.36263 -9.524475      20.27946 
1 1 1 7  9  6  o 734.1500 10.41190 38.15422       1.081769  37.16945       1.504032  39.20965       1.557051  724.4634 14.66968 744.0754 14.78652 -19.61200      20.82885 
1 1 1 7  9  8  o 832.5215 11.22082 49.07391       1.322026  46.21842       1.952034  51.49342       1.796847  807.6071 17.07920 852.5961 14.89182 -44.98901      22.65978 
1 1 1 7  9  10 o 385.3943 14.52040 10.53874       0.7905443 11.25439       1.181863  9.959280       1.063481  397.7020 21.07379 374.1460 20.15931 23.55597       29.16337 
1 1 1 7  9  12 o 169.3325 36.63483 2.127813       0.8523649 1.509929       1.027911  3.487833       1.525017  145.2721 45.19907 215.6508 50.80956 -70.37869      68.00417 
1 1 1 7  9  14 o 805.9870 18.24361 46.09991       2.080936  46.37553       2.466882  45.41990       3.874739  807.6399 21.60235 796.3557 34.46235 11.28418       40.67327 
1 1 1 7  9  16 o 534.7953 21.86143 20.34370       1.651085  21.32053       2.378764  19.43560       2.293542  546.1129 30.90475 521.2766 31.23309 24.83630       43.93870 
1 1 1 7  9  18 o 1509.150 30.75716 161.9782       6.568989  157.2376       9.015483  167.3436       9.591121  1482.720 43.00997 1529.146 44.36700 -46.42578      61.79230 
1 1 1 7  9  20 o 922.6910 20.68378 60.37230       2.700885  58.91162       3.788136  61.88258       3.851919  909.9855 29.45397 932.7115 29.21770 -22.72607      41.48747 
1 1 1 7  9  22 o 1193.883 21.84121 101.1892       3.690269  92.47343       4.917244  112.4277       5.583714  1139.134 30.52943 1255.854 31.44170 -116.7192      43.82495 
1 1 1 7  9  24 o 562.9171 31.45671 22.68623       2.496011  26.31315       4.470558  21.04357       3.008605  600.2004 53.18133 540.2211 39.62837 59.97931       66.32241 
1 1 1 7  9  26 o 1073.214 24.50592 82.04236       3.722007  80.96875       5.272727  83.10865       5.254745  1061.922 35.13348 1076.134 34.54844 -14.21216      49.27430 
1 1 1 7  9  28 o 694.3082 30.29996 34.67450       2.970073  32.65453       4.370568  36.40776       4.048530  666.3703 46.63942 706.9513 40.63701 -40.58099      61.85954 
1 1 1 7  9  30 o 163.7047 66.67117 1.191887       2.429436  2.617593       3.209702  -0.7205427     3.717427  201.4064 78.36751 166.9845 75.10824 34.42186       108.5482 
1 1 1 7  9  32 o 264.0478 68.26638 5.866609       2.569620  8.568456       3.513116  2.758043       3.768270  312.3567 79.33453 205.0446 83.20919 107.3121       114.9684 
1 1 1 7  9  34 o 261.5312 77.49065 6.479675       3.072057  6.639520       4.271616  6.308427       4.421340  251.8066 92.02992 245.8143 92.89302 5.992340       130.7617 
1 1 1 7  9  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  10 1  o 2653.051 16.86656 498.5624       6.332744  490.9255       8.808270  506.7334       9.111111  2631.370 23.65315 2673.302 24.08261 -41.93237      33.75564 
1 1 1 7  10 3  o 1240.310 10.90520 108.9041       1.914183  112.0222       2.762928  106.0261       2.654456  1257.652 15.52349 1223.545 15.32978 34.10754       21.81698 
1 1 1 7  10 5  o 978.4661 10.37315 67.77661       1.436403  69.99559       2.058642  65.67141       2.005173  994.1295 14.63249 962.9274 14.71427 31.20203       20.75137 
1 1 1 7  10 7  o 637.7716 11.46626 28.80146       1.034920  27.95275       1.540940  29.49885       1.396842  627.7911 17.36073 645.2766 15.29613 -17.48547      23.13799 
1 1 1 7  10 9  o 522.0464 12.46127 19.30375       0.9206429 18.41223       1.357833  20.06231       1.252507  509.1733 18.87615 531.7364 16.66481 -22.56311      25.17986 
1 1 1 7  10 11 o 276.0099 23.15727 5.450741       0.8962166 3.723851       1.050146  10.08035       1.719450  225.9653 33.88216 374.4732 32.77514 -148.5080      47.14033 
1 1 1 7  10 13 o 460.8192 20.48649 15.11096       1.332696  16.22845       1.578099  12.33245       2.488392  477.1841 23.44011 411.9435 43.33173 65.24054       49.26538 
1 1 1 7  10 15 f 174.6398 45.13186 2.274884       1.123430  3.159103       1.685413  1.567912       1.507049  205.4198 56.30816 156.1289 54.94733 49.29086       78.67539 
1 1 1 7  10 17 o 696.6382 32.43654 34.62150       3.189097  29.72703       4.339863  40.36688       4.702000  642.1717 48.10304 749.7606 44.51429 -107.5889      65.53949 
1 1 1 7  10 19 f 185.7039 50.03786 2.554069       1.344468  3.075043       1.922168  2.055053       1.881224  205.2902 61.41081 177.3703 61.46006 27.91991       86.88284 
1 1 1 7  10 21 o 489.3906 26.66138 17.07350       1.839563  17.58063       2.654670  16.60503       2.551468  494.7321 38.21178 480.8055 37.80117 13.92654       53.75006 
1 1 1 7  10 23 o 122.3545 52.45792 -0.3935656E-01 1.624642  -0.4942142     2.345793  0.3799451      2.252243  139.8488 61.45432 150.4347 62.99700 -10.58588      88.00713 
1 1 1 7  10 25 o 654.7837 27.66616 30.63178       2.557919  29.56654       3.713821  31.59321       3.528199  639.5288 41.25381 662.2745 37.80096 -22.74567      55.95346 
1 1 1 7  10 27 f 255.8471 62.30983 5.068107       2.234813  5.642521       3.315544  4.589841       3.025358  267.5068 80.79731 244.3037 77.75388 23.20311       112.1333 
1 1 1 7  10 29 o 484.9200 43.99113 17.46704       2.986128  18.41510       3.780722  15.89479       4.868746  491.4599 55.31808 438.7093 81.41564 52.75064       98.43067 
1 1 1 7  10 31 o 410.4092 51.04100 12.98073       2.900657  13.13087       3.795562  12.76994       4.497478  399.5844 69.64998 380.5988 85.58236 18.98563       110.3425 
1 1 1 7  10 33 o 206.1694 74.74590 3.618585       2.809824  3.778530       3.543662  3.347741       4.611319  211.8389 82.36699 212.4265 89.61934 -0.5876007     121.7208 
1 1 1 7  10 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  10 37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  11 0  o 232.4796 26.87339 3.980652       0.8534542 3.980652       0.8534542 3.980652       0.8534542 232.4796 26.87339 232.4796 26.87339 0.000000       0.000000 
1 1 1 7  11 2  o 245.1317 17.55984 4.279418       0.6051365 3.936027       0.8451225 4.640715       0.8668765 234.0857 25.94603 254.6109 24.35454 -20.52528      35.58567 
1 1 1 7  11 4  o 403.1432 12.48983 11.52005       0.7117238 11.50333       1.019831  11.53593       0.9937351 402.4823 17.94963 403.0916 17.46137 -0.6093140     25.04174 
1 1 1 7  11 6  o 311.9861 15.02559 6.911978       0.6614668 7.914366       0.9563285 5.992567       0.9158918 333.4384 20.36327 289.7422 22.51291 43.69617       30.35612 
1 1 1 7  11 8  f 704.1519 11.46380 35.11627       1.142391  34.53059       1.697108  35.60154       1.544784  697.8688 17.18366 708.7471 15.40127 -10.87823      23.07548 
1 1 1 7  11 10 o 598.6306 12.94252 25.39152       1.096472  24.06259       1.515496  26.85131       1.588358  582.0667 18.42084 614.9207 18.27223 -32.85406      25.94613 
1 1 1 7  11 12 o 260.4791 29.03638 4.895407       1.052195  5.071581       1.240868  4.444582       1.984993  264.2704 33.96277 242.2814 58.54935 21.98895       67.68675 
1 1 1 7  11 14 o 780.6688 15.53444 43.21097       1.716257  43.93093       2.145560  41.93182       2.859863  786.7212 19.27081 767.1362 26.38151 19.58502       32.67030 
1 1 1 7  11 16 o 857.2042 19.02002 52.10965       2.307359  55.08588       3.350121  49.42376       3.182522  879.9620 26.93322 833.4534 27.01747 46.50854       38.14894 
1 1 1 7  11 18 f 988.4980 31.43934 69.55732       4.392546  60.85240       5.782556  81.43252       6.753950  921.7054 44.46218 1066.427 44.85155 -144.7219      63.15494 
1 1 1 7  11 20 o 585.7401 24.01565 24.40090       1.986539  20.71500       2.783709  28.22602       2.835797  537.6762 36.80529 628.8791 31.96798 -91.20288      48.75019 
1 1 1 7  11 22 f 435.1383 30.83146 13.56837       1.886339  11.52159       2.639325  15.70554       2.696981  397.0902 47.93479 466.1254 41.31152 -69.03522      63.28022 
1 1 1 7  11 24 o 583.4388 27.61593 24.32079       2.273738  21.54086       3.142991  27.37311       3.293380  545.7844 40.99086 616.4969 37.93141 -70.71252      55.84839 
1 1 1 7  11 26 o 612.9941 34.62545 27.08312       2.991591  26.89274       3.963964  27.33505       4.559841  606.4099 46.54536 608.2794 53.51462 -1.869568      70.92450 
1 1 1 7  11 28 o 337.6501 67.85456 9.038791       3.129784  9.966997       4.723387  8.312270       4.178836  340.0334 94.67554 313.1948 89.69801 26.83865       130.4193 
1 1 1 7  11 30 o 124.3251 57.81115 -1.682662      2.458823  1.877636       3.186877  -6.919385      3.865021  187.3794 76.34264 124.9564 61.55773 62.42300       98.06912 
1 1 1 7  11 32 o 485.0707 44.87142 18.00278       3.045406  19.56044       3.959376  15.74627       4.765502  494.1451 57.70263 417.5950 83.55624 76.55014       101.5443 
1 1 1 7  11 34 o 307.8771 73.64538 8.845725       3.165601  9.450439       4.665149  8.329667       4.309628  286.7743 96.85399 273.6438 93.08434 13.13049       134.3331 
1 1 1 7  11 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  12 1  o 404.8867 12.83129 11.62169       0.7343022 10.96372       1.035537  12.28714       1.041408  392.8225 18.68081 415.9853 17.73047 -23.16281      25.75543 
1 1 1 7  12 3  o 331.5725 14.22228 7.802391       0.6658196 7.596189       0.9569898 7.995851       0.9269508 326.5957 20.81338 335.2262 19.62468 -8.630463      28.60638 
1 1 1 7  12 5  o 1193.027 11.05304 100.7902       1.866172  101.3177       2.653508  100.2739       2.625054  1195.687 15.68134 1189.522 15.59358 6.164795       22.11479 
1 1 1 7  12 7  o 501.5078 12.46219 17.81707       0.8844878 17.14384       1.306766  18.38626       1.201556  491.2275 18.83218 508.9542 16.70453 -17.72665      25.17324 
1 1 1 7  12 9  o 220.4789 22.79245 3.490938       0.7009357 2.978233       0.9713134 4.048062       1.012515  201.2417 35.39702 236.2649 31.03127 -35.02321      47.07323 
1 1 1 7  12 11 o 533.0992 16.12567 20.17528       1.215195  21.03049       1.487565  18.45976       2.106874  543.9059 19.35643 507.9438 29.43523 35.96213       35.22931 
1 1 1 7  12 13 o 696.7861 18.02528 34.47292       1.775973  34.47787       2.083755  34.45978       3.395341  696.3848 21.16811 693.4547 34.70789 2.930054       40.65374 
1 1 1 7  12 15 o 1152.158 15.85396 94.08363       2.585054  97.81145       3.284892  88.01958       4.189624  1174.238 19.76720 1112.783 26.60387 61.45483       33.14375 
1 1 1 7  12 17 o 366.4500 68.73740 10.03051       3.433826  10.03051       3.433826  0.000000       0.000000  366.4500 68.73740 ?        ?        ?              ?        
1 1 1 7  12 19 o 620.0491 22.91571 27.32308       2.007388  27.14276       2.825892  27.50676       2.852040  616.6465 32.49639 620.7653 32.57851 -4.118774      46.01494 
1 1 1 7  12 21 o 333.8967 35.96354 8.058139       1.672627  5.910564       2.408426  10.05899       2.324699  279.5401 62.45531 371.4783 45.14516 -91.93820      77.06329 
1 1 1 7  12 23 o 618.5378 26.76443 27.30797       2.337303  29.33675       3.501172  25.67694       3.139255  638.1255 38.95486 597.2927 37.32465 40.83289       53.95008 
1 1 1 7  12 25 o 198.5909 65.96142 2.835067       2.164796  1.416940       2.721832  5.276565       3.571347  178.8420 71.36287 262.5763 84.57322 -83.73425      110.6584 
1 1 1 7  12 27 o 352.0878 56.89200 9.462487       2.738173  6.203822       3.606459  13.89747       4.207335  276.0928 84.44753 419.1039 73.62090 -143.0111      112.0331 
1 1 1 7  12 29 o 498.5756 42.43652 18.51764       2.965838  17.22953       3.816228  20.48222       4.712938  470.4529 58.58479 506.3053 67.45132 -35.85239      89.34124 
1 1 1 7  12 31 o 256.3956 68.58265 5.582560       2.537010  4.384857       3.135955  7.851361       4.316121  226.7495 79.30371 286.9131 93.02225 -60.16367      122.2384 
1 1 1 7  12 33 o 439.7815 59.07927 16.18122       3.584060  15.41508       4.898072  17.06419       5.258336  390.2929 90.44867 407.4931 93.21015 -17.20020      129.8811 
1 1 1 7  12 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  13 0  o 785.9310 14.89335 43.78573       1.655178  43.78573       1.655178  43.78573       1.655178  785.9310 14.89335 785.9310 14.89335 0.000000       0.000000 
1 1 1 7  13 2  o 511.2001 11.89495 18.50871       0.8605443 18.00132       1.211723  19.02501       1.222334  503.6130 17.02595 517.7794 16.70297 -14.16635      23.85105 
1 1 1 7  13 4  o 510.0665 11.73868 18.42772       0.8473560 19.39431       1.204179  17.47965       1.192590  522.7816 16.29602 496.2142 17.00766 26.56741       23.55463 
1 1 1 7  13 6  o 320.0949 16.00466 7.282747       0.7227119 6.671857       1.049750  7.833197       0.9964687 305.3797 24.49517 331.4448 21.35751 -26.06506      32.49856 
1 1 1 7  13 8  o 226.1964 22.64340 3.672559       0.7151142 4.425304       1.000826  2.887380       1.022160  247.4926 29.13170 197.5477 37.94051 49.94490       47.83449 
1 1 1 7  13 10 o 347.3316 17.05122 8.579928       0.8355842 9.199133       1.198131  7.993575       1.165917  358.8541 23.72522 334.2468 24.82517 24.60730       34.33912 
1 1 1 7  13 12 o 556.0030 18.47830 21.96323       1.451962  22.21149       1.673433  21.20709       2.920464  558.7859 21.19979 542.7377 38.26795 16.04822       43.74777 
1 1 1 7  13 14 o 713.2217 15.80399 36.05416       1.595185  35.63833       1.949590  36.89641       2.774663  708.5304 19.46151 719.8212 27.28682 -11.29077      33.51598 
1 1 1 7  13 16 o 476.9238 19.25401 16.15300       1.296870  16.29404       1.581683  15.86366       2.265420  478.5938 23.42360 470.7883 34.23586 7.805450       41.48204 
1 1 1 7  13 18 o 948.2602 32.94326 64.08932       4.414218  62.42636       6.091935  65.92767       6.405130  932.5853 46.30280 958.1243 47.38443 -25.53900      66.25129 
1 1 1 7  13 20 o 468.7504 28.82940 15.70380       1.903228  13.66667       2.595407  18.07355       2.799283  434.4665 42.76510 500.8661 39.81919 -66.39966      58.43305 
1 1 1 7  13 22 o 761.3237 23.47250 41.26532       2.525977  35.49503       3.429368  48.10875       3.734668  703.4839 34.55180 819.9225 32.24833 -116.4386      47.26291 
1 1 1 7  13 24 o 140.9393 59.29462 0.3031342      2.009647  0.2396533      2.546762  0.4078936      3.271624  155.5720 66.15889 176.3617 74.99207 -20.78973      100.0040 
1 1 1 7  13 26 o 231.1343 67.16177 4.160262       2.327001  4.309232       2.994074  3.933004       3.698048  236.7946 77.52531 235.0878 85.67358 1.706894       115.5428 
1 1 1 7  13 28 o 261.7279 72.80877 5.655443       2.794815  7.425547       3.465648  2.363261       4.726362  295.9480 80.58998 217.6132 91.20284 78.33479       121.7074 
1 1 1 7  13 30 o 199.2603 71.67377 3.090997       2.577316  6.347204       3.516365  -0.6888916     3.788589  266.3814 83.70610 164.9219 74.84241 101.4595       112.2858 
1 1 1 7  13 32 o 305.7541 74.04979 8.476146       3.169794  5.629935       4.342206  11.72323       4.637923  238.4122 91.58284 337.7804 93.72777 -99.36824      131.0432 
1 1 1 7  13 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  13 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  14 1  o 72.41131 31.55641 -0.1158687     0.6072838 -0.9052569     0.8425483 0.7376242      0.8760914 70.25489 33.04565 113.3501 41.63719 -43.09523      53.15704 
1 1 1 7  14 3  o 940.4142 10.75696 62.63717       1.431623  61.45577       1.994852  63.89181       2.055763  931.0790 15.13925 949.3344 15.30150 -18.25537      21.52517 
1 1 1 7  14 5  o 312.7446 15.76132 6.953308       0.6953444 7.292594       0.9678420 6.591345       0.9996609 319.6786 21.51832 303.5959 23.44841 16.08270       31.82556 
1 1 1 7  14 7  o 494.0601 13.41013 17.31363       0.9367655 16.47062       1.277704  18.29345       1.377489  481.3111 18.79404 507.2301 19.22429 -25.91898      26.88474 
1 1 1 7  14 9  o 610.7477 12.27092 26.43199       1.060618  27.54478       1.591388  25.54268       1.422637  622.6952 18.07760 599.7833 16.77671 22.91187       24.66288 
1 1 1 7  14 11 o 805.7163 17.16409 46.05250       1.957144  47.40797       2.295048  42.43900       3.747240  817.1399 19.84612 769.7648 34.48560 47.37512       39.78850 
1 1 1 7  14 13 o 523.0694 17.18293 19.41911       1.270242  18.42031       1.494305  22.02081       2.411731  509.0609 20.78567 555.2600 30.81193 -46.19916      37.16745 
1 1 1 7  14 15 o 518.4550 18.08875 19.07732       1.325176  19.77882       1.611209  17.61060       2.329759  527.5779 21.62554 496.2598 33.36672 31.31812       39.76182 
1 1 1 7  14 17 o 670.5630 35.99021 32.13938       3.402904  33.93438       4.910357  30.48075       4.720142  685.7128 50.96444 649.4805 51.78188 36.23230       72.65492 
1 1 1 7  14 19 o 547.0342 24.83575 21.31535       1.917685  20.65132       2.719905  21.97173       2.704195  536.4650 36.03453 553.6987 34.68420 -17.23364      50.01481 
1 1 1 7  14 21 o 665.1683 26.99294 31.57202       2.535703  33.74688       3.248055  28.17793       4.057604  686.1939 33.54865 623.1971 46.33867 62.99677       57.20825 
1 1 1 7  14 23 f 527.3981 32.20284 19.98377       2.392090  19.42062       3.019559  20.93274       3.919764  517.2821 41.59781 533.2791 52.62313 -15.99701      67.07885 
1 1 1 7  14 25 o 615.9673 33.62467 27.38272       2.920017  27.34615       3.683034  27.44460       4.791283  611.8798 42.80232 606.0876 56.51071 5.792236       70.89075 
1 1 1 7  14 27 o 115.9381 54.90115 -2.442987      2.398335  0.4775223      3.137268  -6.549834      3.720288  168.9057 72.66357 124.5970 61.18495 44.30878       94.99259 
1 1 1 7  14 29 o 371.1508 52.97174 10.72845       2.703517  9.802241       3.420888  12.26930       4.412291  341.0425 73.07640 371.9105 85.60635 -30.86795      112.5549 
1 1 1 7  14 31 o 117.7321 56.03099 -2.387555      2.560390  -5.095218      3.265849  1.931079       4.124506  117.2406 57.52253 192.3322 83.03297 -75.09155      101.0115 
1 1 1 7  14 33 o 237.6874 77.13046 5.609087       2.966994  7.407952       4.167156  3.759607       4.225376  256.0758 91.25033 203.3214 85.78305 52.75436       125.2412 
1 1 1 7  14 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  15 0  o 183.1597 41.70300 2.725544       0.9420983 2.725544       0.9420983 2.725544       0.9420983 183.1597 41.70300 183.1597 41.70300 0.000000       0.000000 
1 1 1 7  15 2  o 388.3671 14.30300 10.70702       0.7847782 10.28294       1.114230  11.12449       1.105509  379.8984 20.80408 395.3029 19.82444 -15.40451      28.73705 
1 1 1 7  15 4  o 83.84086 33.63131 0.2397023      0.6077694 1.322845       0.8403049 -0.9484803     0.8801073 135.0409 40.65153 71.67160 33.73135 63.36928       52.82377 
1 1 1 7  15 6  o 301.6096 18.40153 6.481617       0.7817126 6.962551       1.057356  5.901876       1.160902  311.8941 24.14274 286.2105 29.06350 25.68356       37.78305 
1 1 1 7  15 8  o 278.5116 18.37598 5.530202       0.7202445 5.412834       1.023927  5.645150       1.013316  274.3749 26.70724 280.3950 25.82607 -6.020050      37.15189 
1 1 1 7  15 10 f 252.1098 21.20733 4.545959       0.7496427 3.982900       1.047458  5.137171       1.073325  234.0433 32.50007 266.9907 28.86473 -32.94739      43.46754 
1 1 1 7  15 12 o 341.9105 24.80747 8.348886       1.192204  8.585613       1.364840  7.586665       2.449054  346.3073 28.08933 319.7075 56.17764 26.59973       62.80874 
1 1 1 7  15 14 o 401.9369 20.22459 11.48647       1.146726  10.92102       1.339074  13.04156       2.220687  391.4689 24.29027 426.0826 37.20031 -34.61368      44.42837 
1 1 1 7  15 16 o 547.5421 19.01402 21.28333       1.471132  19.42938       1.756766  25.63518       2.691542  522.6217 23.81494 599.3354 31.84735 -76.71368      39.76689 
1 1 1 7  15 18 o 560.0811 41.67559 22.60022       3.279659  20.77995       4.428389  24.81143       4.880826  531.8424 59.87513 581.5861 60.16859 -49.74365      84.88398 
1 1 1 7  15 20 o 525.0366 29.61670 19.72759       2.191703  18.01221       2.848178  22.21808       3.431858  499.0906 40.67684 553.6368 44.16698 -54.54620      60.04438 
1 1 1 7  15 22 o 593.6518 30.47573 25.25970       2.551819  27.22400       3.287284  22.28119       4.047929  614.2286 38.00314 550.4505 52.60213 63.77814       64.89394 
1 1 1 7  15 24 o 260.2135 63.16330 5.256032       2.302281  6.276765       3.080977  3.965360       3.464497  281.3366 75.72191 234.7247 83.24726 46.61198       112.5341 
1 1 1 7  15 26 o 249.9210 67.12299 5.016253       2.424109  6.735676       3.072580  2.181627       3.945115  286.4418 74.94636 207.0005 84.71075 79.44135       113.1056 
1 1 1 7  15 28 o 447.9813 45.58578 15.18424       2.849859  11.17808       3.528945  22.69549       4.832107  367.8112 70.35818 531.4570 65.63995 -163.6458      96.22306 
1 1 1 7  15 30 o 210.6284 71.93748 3.766847       2.574351  3.152462       3.378406  4.617539       3.975372  203.0281 79.98503 229.0844 87.72272 -26.05627      118.7134 
1 1 1 7  15 32 o 134.4735 62.96770 -1.327000      3.000423  -2.286651      4.352645  -0.4581163     4.141688  151.5341 72.37797 161.5401 75.08696 -10.00601      104.2910 
1 1 1 7  15 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  16 1  o 225.9620 22.31286 3.665330       0.7042241 3.455301       0.9906350 3.879905       1.001297  217.3927 33.25497 230.9891 31.44610 -13.59645      45.76844 
1 1 1 7  16 3  o 595.6368 12.11371 25.14087       1.021124  26.38512       1.442813  23.89221       1.445365  609.5702 16.74086 579.9235 17.63160 29.64667       24.31316 
1 1 1 7  16 5  o 356.8399 16.60242 9.054001       0.8361273 7.929024       1.144126  10.34349       1.224931  332.8886 24.45665 380.6825 22.84184 -47.79385      33.46457 
1 1 1 7  16 7  f 574.2408 12.41922 23.36672       1.009272  23.49150       1.461422  23.25295       1.395509  575.0445 17.97995 572.2042 17.25275 2.840332       24.91858 
1 1 1 7  16 9  o 318.3799 16.74362 7.208361       0.7517707 8.038827       1.107284  6.498219       1.023931  335.5141 23.46797 301.3844 24.21007 34.12970       33.71755 
1 1 1 7  16 11 o 763.3337 17.01808 41.30785       1.838421  41.63021       2.101709  40.25759       3.793555  765.8471 19.40710 750.3275 35.82882 15.51965       40.74726 
1 1 1 7  16 13 o 536.3508 17.09840 20.41003       1.296191  20.87022       1.537416  19.27889       2.410346  542.0997 20.07442 519.3521 32.96437 22.74768       38.59575 
1 1 1 7  16 15 o 413.9943 20.57091 12.18758       1.201449  10.74083       1.388222  16.50523       2.398195  388.0472 25.41863 479.9008 35.56400 -91.85352      43.71389 
1 1 1 7  16 17 o 339.2815 36.96283 8.322531       1.746120  8.322531       1.746120  0.000000       0.000000  339.2815 36.96283 ?        ?        ?              ?        
1 1 1 7  16 19 o 210.5079 57.70086 3.338592       1.769853  4.545823       2.285578  1.530545       2.797084  244.2808 64.98435 183.6545 72.64603 60.62624       97.47005 
1 1 1 7  16 21 o 600.9944 29.54174 25.86629       2.504918  29.24475       3.284121  21.16685       3.873325  637.1591 36.57464 536.7927 51.62252 100.3665       63.26602 
1 1 1 7  16 23 o 229.5791 67.08826 4.061267       2.316085  6.479014       3.094130  0.9802034      3.492879  286.1089 75.37753 187.5938 78.49763 98.51520       108.8285 
1 1 1 7  16 25 o 510.0704 37.94389 19.04537       2.719379  18.12971       3.442957  20.56399       4.433898  491.5322 50.19887 516.4654 61.89448 -24.93323      79.69224 
1 1 1 7  16 27 o 137.2629 61.30163 -0.4681632     2.428771  0.5884625      3.141109  -2.039114      3.830044  167.8635 72.46535 155.3276 72.20178 12.53592       102.2953 
1 1 1 7  16 29 o 201.4876 70.59125 3.325963       2.485434  3.215707       3.140824  3.510670       4.065238  203.2694 77.93900 214.7123 86.68069 -11.44289      116.5677 
1 1 1 7  16 31 o 97.02045 48.55847 -6.453814      2.809476  -8.469360      4.020005  -4.529478      3.927992  115.5305 57.86102 131.7451 64.30824 -16.21468      86.50692 
1 1 1 7  16 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  16 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  17 0  o 330.6149 24.17704 7.879764       1.117016  7.879764       1.117016  7.879764       1.117016  330.6149 24.17704 330.6149 24.17704 0.000000       0.000000 
1 1 1 7  17 2  o 319.4564 17.40248 7.263958       0.7837894 6.938718       1.113188  7.583714       1.103763  311.1312 25.50532 325.5710 24.12726 -14.43979      35.10906 
1 1 1 7  17 4  o 393.1390 16.24262 10.98228       0.9017488 10.33209       1.249142  11.68984       1.303099  380.4461 23.31252 404.8265 22.83776 -24.38040      32.63490 
1 1 1 7  17 6  f 129.5039 36.96568 1.229852       0.7108766 -0.1410349     1.029145  2.480806       0.9830976 95.15708 41.27806 182.6377 39.20765 -87.48063      56.93082 
1 1 1 7  17 8  o 228.5354 22.05151 3.743015       0.7043538 4.047170       1.000361  3.443978       0.9919068 236.4147 30.61778 217.2880 33.31746 19.12671       45.24932 
1 1 1 7  17 10 o 143.5903 35.18595 1.528533       0.7093255 0.6345267      0.9946412 2.453752       1.011856  114.3657 43.85752 181.7858 40.38129 -67.42014      59.61654 
1 1 1 7  17 12 o 248.0650 28.03183 4.428821       0.9668747 4.722548       1.114408  3.534561       1.944483  255.7276 31.45452 217.9946 60.76360 37.73305       68.42223 
1 1 1 7  17 14 o 472.0206 18.54405 15.82291       1.236344  14.92466       1.420130  18.63523       2.512808  458.0629 21.97108 510.1058 35.02049 -52.04288      41.34203 
1 1 1 7  17 16 o 823.7108 23.02240 48.24500       2.681137  48.24500       2.681137  0.000000       0.000000  823.7108 23.02240 ?        ?        ?              ?        
1 1 1 7  17 18 o 382.8066 35.97356 10.58791       1.926029  10.58791       1.926029  0.000000       0.000000  382.8066 35.97356 ?        ?        ?              ?        
1 1 1 7  17 20 o 210.7239 61.02091 3.350821       1.923926  2.793282       2.442890  4.261467       3.122057  201.4288 70.02321 240.0395 79.19479 -38.61076      105.7122 
1 1 1 7  17 22 o 203.5650 66.12043 3.060792       2.180109  2.555547       2.818845  3.812862       3.439135  200.5429 74.50313 232.0656 82.87485 -31.52264      111.4404 
1 1 1 7  17 24 o 332.4032 54.90833 8.458907       2.492887  9.375772       3.252041  7.152446       3.881964  343.2586 69.33440 292.2182 87.23827 51.04037       111.4351 
1 1 1 7  17 26 o 110.0758 52.88214 -3.011060      2.398945  -2.813350      3.096966  -3.307651      3.793172  131.6828 62.36579 144.8390 68.72060 -13.15616      92.80093 
1 1 1 7  17 28 o 196.2896 69.72451 3.082736       2.431202  2.538820       3.053158  4.025253       4.019090  191.4673 75.84722 222.4757 87.36345 -31.00842      115.6943 
1 1 1 7  17 30 o 158.1940 66.23233 1.342000       2.488720  4.885894       3.222469  -3.895924      3.917671  225.3813 80.25071 136.0497 65.90508 89.33162       103.8444 
1 1 1 7  17 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  17 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  18 1  o 81.17339 34.99426 -0.6912543E-01 0.7305712 0.6967825      1.069398  -0.7394090     1.000416  118.6757 45.48454 81.86240 37.64231 36.81331       59.04056 
1 1 1 7  18 3  o 192.4309 30.43904 2.703469       0.8014021 2.055639       1.091938  3.459837       1.179870  166.3123 45.21466 216.3738 40.00410 -50.06149      60.37130 
1 1 1 7  18 5  f 420.7819 15.31913 12.56757       0.9107211 13.15376       1.366398  12.09901       1.221634  429.7362 22.54641 412.2824 21.00683 17.45377       30.81602 
1 1 1 7  18 7  o 638.6860 12.68004 28.89602       1.146114  28.95057       1.660756  28.84642       1.583690  638.6415 18.39423 637.5779 17.56837 1.063660       25.43610 
1 1 1 7  18 9  o 142.3431 32.54899 1.500269       0.6413803 1.510726       0.9155201 1.490191       0.8988082 144.0602 42.20246 143.0405 41.79102 1.019714       59.39307 
1 1 1 7  18 11 f 726.1719 14.82380 37.36171       1.523417  38.63685       1.792297  34.04228       2.891753  738.2993 17.15369 691.2106 29.63062 47.08875       34.23774 
1 1 1 7  18 13 o 311.0851 25.33789 6.921299       1.105848  6.858901       1.208725  7.241762       2.739227  309.3181 27.91228 310.3259 64.48041 -1.007751      70.26250 
1 1 1 7  18 15 o 334.7253 27.02030 8.026363       1.269096  8.026363       1.269096  0.000000       0.000000  334.7253 27.02030 ?        ?        ?              ?        
1 1 1 7  18 17 o 173.1802 56.04049 2.137707       1.566922  2.137707       1.566922  0.000000       0.000000  173.1802 56.04049 ?        ?        ?              ?        
1 1 1 7  18 19 o 436.7825 35.13274 13.77461       2.153381  12.75950       2.758804  15.35740       3.444886  416.7715 47.62801 455.2708 54.55183 -38.49930      72.41775 
1 1 1 7  18 21 o 311.3253 51.73447 7.284283       2.199401  9.628610       2.872722  3.963697       3.418944  356.1608 59.06181 234.5558 82.74343 121.6050       101.6601 
1 1 1 7  18 23 o 221.4937 68.20595 3.837524       2.347664  0.7556409      2.971479  8.956593       3.829659  170.6471 71.96426 328.8730 82.44826 -158.2259      109.4375 
1 1 1 7  18 25 o 264.5570 64.05992 5.702203       2.372582  8.019263       3.210315  2.913424       3.521973  308.6287 74.38087 207.7047 81.71590 100.9240       110.4989 
1 1 1 7  18 27 o 105.7468 51.09528 -3.087069      2.317311  -5.028208      2.923686  0.1929016      3.800470  110.0344 54.07515 172.2474 76.82046 -62.21299      93.94416 
1 1 1 7  18 29 o 132.1655 59.83202 -0.4285414     2.403615  -1.089655      3.083091  0.5959768      3.838029  140.6877 65.18379 170.5053 76.53497 -29.81761      100.5312 
1 1 1 7  18 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  18 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  19 0  o 51.87184 36.64366 -1.326742      1.087902  -1.326742      1.087902  -1.326742      1.087902  51.87184 36.64366 51.87184 36.64366 0.000000       0.000000 
1 1 1 7  19 2  o 455.4773 16.89565 14.72990       1.087196  15.72691       1.536336  13.72978       1.538723  469.9772 23.17024 438.8279 24.87878 31.14929       33.99726 
1 1 1 7  19 4  o 639.1860 13.37833 28.94488       1.210177  26.80065       1.772740  30.81623       1.656105  614.2232 20.42223 658.9809 17.77427 -44.75769      27.07383 
1 1 1 7  19 6  o 427.0488 15.04172 12.93917       0.9076449 12.02449       1.310115  13.78338       1.258639  410.9442 22.61436 440.3128 20.25279 -29.36859      30.35761 
1 1 1 7  19 8  o 312.7181 17.56445 6.954474       0.7742092 6.865320       1.098353  7.042515       1.091474  309.8702 25.26532 313.9317 24.76786 -4.061523      35.38055 
1 1 1 7  19 10 f 357.5619 15.66971 9.077699       0.7909990 8.280037       1.110859  9.898113       1.126590  340.7339 23.17480 372.8716 21.43986 -32.13763      31.57117 
1 1 1 7  19 12 o 354.6501 20.40034 8.955414       1.019579  9.137661       1.085717  7.594785       2.966577  358.1286 21.52118 316.7648 68.19547 41.36386       71.51073 
1 1 1 7  19 14 o 232.4802 34.21698 3.943407       1.092124  4.533645       1.184430  0.5932841      2.821800  249.5493 34.45621 169.3251 70.68232 80.22420       78.63346 
1 1 1 7  19 16 o 630.0479 24.55311 28.30685       2.185081  28.30685       2.185081  0.000000       0.000000  630.0479 24.55311 ?        ?        ?              ?        
1 1 1 7  19 18 o 243.4109 53.03375 4.488134       1.775113  4.488134       1.775113  0.000000       0.000000  243.4109 53.03375 ?        ?        ?              ?        
1 1 1 7  19 20 o 300.5478 52.42226 6.814006       2.148672  4.713208       2.763913  10.02301       3.415994  246.0565 73.64754 358.8684 69.77426 -112.8120      101.4515 
1 1 1 7  19 22 o 124.5865 57.03825 -1.265167      2.263151  -3.142967      3.045107  1.051917       3.382587  129.8934 61.61291 183.3161 77.01320 -53.42267      98.62649 
1 1 1 7  19 24 o 175.3653 66.82379 2.004420       2.299495  2.819265       2.958999  0.7620217      3.653742  199.8282 75.88411 180.1753 77.96830 19.65291       108.8001 
1 1 1 7  19 26 o 136.3011 60.33001 -0.1464513     2.299651  3.114712       2.979650  -4.950546      3.616469  201.1793 76.20583 127.7689 62.22049 73.41048       98.38047 
1 1 1 7  19 28 o 163.8479 65.20531 1.785731       2.266413  -0.7204301     2.845503  6.134411       3.748291  139.6685 63.94835 248.2072 86.70866 -108.5387      107.7394 
1 1 1 7  19 30 o 104.4867 49.33878 -1.412635      1.911457  -1.642900      2.197932  -0.6979874     3.872098  110.5049 52.39556 152.3991 71.41626 -41.89418      88.57526 
1 1 1 7  19 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  20 1  o 271.0814 28.28950 5.282530       1.069333  4.284837       1.642578  6.016380       1.408741  239.8432 50.01456 288.3459 35.25449 -48.50267      61.19098 
1 1 1 7  20 3  o 404.6739 17.65504 11.63263       1.008666  11.35827       1.546169  11.83589       1.330861  398.7489 27.56890 407.6396 23.16476 -8.890686      36.00903 
1 1 1 7  20 5  f 466.9306 16.09199 15.47049       1.061775  15.65140       1.525058  15.30031       1.479147  468.9748 23.04887 463.7224 22.60706 5.252380       32.28513 
1 1 1 7  20 7  o 336.5331 18.33731 8.054414       0.8700401 8.323509       1.227971  7.783158       1.232888  341.3266 25.60802 329.8636 26.63643 11.46301       36.94956 
1 1 1 7  20 9  o 176.4892 29.08250 2.274056       0.7011106 2.911987       1.008067  1.676356       0.9757623 198.8023 37.19707 151.2001 43.35670 47.60222       57.12640 
1 1 1 7  20 11 o 186.0719 32.41927 2.540140       0.8226867 2.754112       0.8703449 0.7453093      2.520719  193.8466 32.90090 164.2787 67.52391 29.56790       75.11290 
1 1 1 7  20 13 o 523.2656 16.93633 19.44755       1.252532  20.30940       1.352001  14.22847       3.327043  534.6313 17.89432 439.1417 54.71830 95.48965       57.56995 
1 1 1 7  20 15 o 237.2979 44.05045 4.191022       1.424877  4.191022       1.424877  0.000000       0.000000  237.2979 44.05045 ?        ?        ?              ?        
1 1 1 7  20 17 o 290.6634 42.94754 6.235930       1.713511  6.235930       1.713511  0.000000       0.000000  290.6634 42.94754 ?        ?        ?              ?        
1 1 1 7  20 19 o 229.1956 48.21552 3.979390       1.514280  3.291751       1.671788  7.121449       3.573618  207.3053 55.77093 297.3831 82.18024 -90.07785      99.31761 
1 1 1 7  20 21 o 230.9698 66.81715 4.225007       2.307839  2.448179       3.016694  6.732370       3.583581  198.2923 76.29285 284.7449 83.51713 -86.45267      113.1181 
1 1 1 7  20 23 o 134.3472 59.88492 -0.4381271     2.306254  1.295684       2.976738  -3.041566      3.647652  174.7410 72.74281 143.4758 67.87167 31.26518       99.48910 
1 1 1 7  20 25 f 128.1457 58.53505 -0.9270087     2.365809  -0.9932724     3.174009  -0.8441724     3.548793  147.7295 67.60143 157.1660 71.75307 -9.436539      98.58223 
1 1 1 7  20 27 o 232.2238 58.61140 4.561645       1.926047  2.499306       2.227081  10.68097       3.836259  178.1049 66.21214 336.0661 81.50848 -157.9611      105.0128 
1 1 1 7  20 29 o 135.1419 58.17429 0.6885432      2.013231  -0.1143328     2.285492  3.468970       4.253155  129.5726 58.53096 195.2888 84.31373 -65.71614      102.6386 
1 1 1 7  20 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  21 0  o 512.4614 42.99625 19.07857       3.065888  19.07857       3.065888  19.07857       3.065888  512.4614 42.99625 512.4614 42.99625 0.000000       0.000000 
1 1 1 7  21 2  o 388.5000 21.62620 10.74489       1.184333  11.13097       1.611246  10.29113       1.746747  394.4988 29.06405 378.6496 32.92360 15.84918       43.91677 
1 1 1 7  21 4  o 256.2626 26.81014 4.718922       0.9579368 4.648014       1.394689  4.782248       1.318015  251.8841 40.49771 256.1732 37.46273 -4.289093      55.16811 
1 1 1 7  21 6  o 117.3937 41.00961 0.8785371      0.8384528 2.239019       1.253544  -0.2228645     1.127888  174.0353 48.88877 98.27352 42.91305 75.76176       65.05107 
1 1 1 7  21 8  o 163.2251 36.05965 1.977486       0.8107269 4.103592       1.195444  0.1668788      1.103186  236.8710 36.85991 105.8306 44.18747 131.0405       57.54290 
1 1 1 7  21 10 o 291.6640 17.62571 6.057924       0.7241317 6.406009       1.022681  5.707933       1.025478  299.1184 24.36990 281.9972 25.98790 17.12115       35.62672 
1 1 1 7  21 12 o 413.0378 32.58747 12.27742       1.889426  11.49828       2.382578  13.59768       3.101495  397.1227 43.08325 429.5149 52.08696 -32.39215      67.59599 
1 1 1 7  21 14 o 122.6991 43.76796 0.9418668      0.9589427 1.435310       1.004363  -4.146603      3.225267  141.6129 44.76745 129.3758 61.93211 12.23708       76.41800 
1 1 1 7  21 16 o 545.0135 24.96468 21.23346       1.920429  21.23346       1.920429  0.000000       0.000000  545.0135 24.96468 ?        ?        ?              ?        
1 1 1 7  21 18 o 413.8981 30.62141 12.36499       1.780951  12.36499       1.780951  0.000000       0.000000  413.8981 30.62141 ?        ?        ?              ?        
1 1 1 7  21 20 o 127.2476 52.10690 0.5361513      1.493898  0.5323865E-01  1.647723  2.766274       3.540906  122.7566 52.73310 210.4093 82.18523 -87.65267      97.64831 
1 1 1 7  21 22 o 178.7664 58.96911 2.452828       1.731024  1.980171       2.000084  3.863630       3.455479  169.8732 62.82220 222.1247 82.49458 -52.25143      103.6918 
1 1 1 7  21 24 o 165.7734 60.20371 2.004114       1.823895  1.271789       2.071432  4.530622       3.847502  153.8596 61.95945 229.4425 86.66672 -75.58290      106.5368 
1 1 1 7  21 26 f 211.3296 60.65081 3.818613       1.908650  3.012589       2.184829  6.415889       3.921952  189.4191 66.19757 252.1565 88.64922 -62.73740      110.6382 
1 1 1 7  21 28 o 174.5107 67.69124 2.607219       2.388973  4.753144       3.113790  -0.4634142     3.724740  214.4705 78.54354 151.9582 70.82602 62.51233       105.7611 
1 1 1 7  21 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  21 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  22 1  o 346.1223 29.00423 8.588496       1.407674  9.742213       2.119139  7.677394       1.883187  366.4545 41.59709 324.6996 41.96212 41.75488       59.08585 
1 1 1 7  22 3  o 614.9172 22.37396 26.89321       1.943814  24.39911       3.882724  27.72738       2.245470  580.3496 47.69501 623.9250 25.48414 -43.57544      54.07638 
1 1 1 7  22 5  o 126.9310 45.52843 0.9874160      1.039127  -1.983091      1.996186  2.091559       1.217022  109.1379 51.18623 168.3691 48.46514 -59.23116      70.49043 
1 1 1 7  22 7  o 125.3545 44.73112 0.9750111      1.001700  2.882628       2.151940  0.4473360      1.131795  200.9147 65.72126 113.9720 45.83317 86.94264       80.12468 
1 1 1 7  22 9  o 220.6690 32.81448 3.556482       0.9936296 7.193937       2.664247  2.968802       1.070893  307.5214 63.32813 199.9477 39.24696 107.5737       74.50352 
1 1 1 7  22 11 f 388.9890 36.19936 10.95423       1.969902  10.39333       2.478253  11.91680       3.246521  375.7026 47.68284 398.7358 59.33781 -23.03323      76.12246 
1 1 1 7  22 13 o 261.9294 67.89900 5.317178       2.537493  4.629850       4.276493  5.690663       3.152407  255.8147 92.28536 269.8907 78.09658 -14.07600      120.8953 
1 1 1 7  22 15 o 195.8514 86.59804 -0.4942524     4.726222  -0.4942524     4.726222  0.000000       0.000000  195.8514 86.59804 ?        ?        ?              ?        
1 1 1 7  22 17 o 204.6501 40.30284 3.142856       1.125704  3.142856       1.125704  0.000000       0.000000  204.6501 40.30284 ?        ?        ?              ?        
1 1 1 7  22 19 o 115.4459 46.30828 0.5346550      1.152286  0.4195022      1.225192  1.416750       3.390975  115.1662 47.17741 187.0701 77.73775 -71.90387      90.93330 
1 1 1 7  22 21 o 164.8056 50.68117 2.094476       1.296772  2.173301       1.394853  1.592376       3.520396  167.9068 52.71397 187.1520 78.59188 -19.24519      94.63322 
1 1 1 7  22 23 o 150.8285 57.36931 1.484697       1.692910  0.7209087      1.939678  3.926647       3.468259  140.2324 58.57474 217.2593 82.23512 -77.02693      100.9634 
1 1 1 7  22 25 o 152.6888 57.82307 1.644430       1.715243  2.642951       1.975416  -1.415010      3.457810  179.5279 62.93046 145.8112 68.05389 33.71671       92.69074 
1 1 1 7  22 27 o 186.2751 69.13717 3.200501       2.426355  2.445626       3.067841  4.461434       3.964983  175.7379 73.55375 206.2834 84.72700 -30.54552      112.1999 
1 1 1 7  22 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  22 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  23 0  o 157.5103 67.70625 2.540269       1.546655  2.540269       1.546655  2.540269       1.546655  157.5103 67.70625 157.5103 67.70625 0.000000       0.000000 
1 1 1 7  23 2  o 128.1850 51.31262 0.6114663      1.411775  1.602879       2.866735  0.2940405      1.622114  186.4375 73.60815 128.5217 53.61556 57.91583       91.06474 
1 1 1 7  23 4  o 287.3327 35.88747 6.003880       1.427580  4.244684       3.313489  6.404855       1.581931  242.3028 81.62567 296.3015 38.64544 -53.99863      90.31179 
1 1 1 7  23 6  o 121.8667 48.18272 0.6173223      1.229921  4.485401       3.442384  0.5128903E-01  1.316839  247.5416 83.19711 111.8748 47.57444 135.6668       95.83885 
1 1 1 7  23 8  o 131.2836 45.44504 1.135937       1.028444  2.272331       3.365366  1.018878       1.080115  206.1282 80.23387 128.6965 46.38557 77.43167       92.67737 
1 1 1 7  23 10 o 306.6666 20.71532 6.719507       0.8937620 6.291841       2.432518  6.786252       0.9609785 286.5640 61.80051 307.9739 22.19747 -21.40985      65.66605 
1 1 1 7  23 12 o 141.2749 68.39019 -6.165475      4.200615  -6.165475      4.200615  0.000000       0.000000  141.2749 68.39019 ?        ?        ?              ?        
1 1 1 7  23 14 f 174.7103 80.30202 -2.364111      4.546151  -2.364111      4.546151  0.000000       0.000000  174.7103 80.30202 ?        ?        ?              ?        
1 1 1 7  23 16 o 226.0472 95.46542 1.995138       5.241439  1.995138       5.241439  0.000000       0.000000  226.0472 95.46542 ?        ?        ?              ?        
1 1 1 7  23 18 o 199.0393 37.42980 2.982646       1.015639  3.273439       1.063243  -0.4833662E-01 3.432674  208.7668 37.35923 168.2607 74.12512 40.50613       83.00750 
1 1 1 7  23 20 o 176.8102 45.32517 2.440708       1.139334  2.429580       1.207439  2.531087       3.441043  176.0754 47.40895 198.4121 79.87289 -22.33667      92.88319 
1 1 1 7  23 22 o 175.7391 56.60376 2.467243       1.599768  3.693855       1.798464  -2.181950      3.501362  211.2926 58.26445 143.1919 67.35670 68.10071       89.05993 
1 1 1 7  23 24 o 128.3742 57.43240 -0.1989807     2.141794  -0.6639888     2.854224  0.4003260      3.240279  139.9133 64.05512 159.0178 70.92583 -19.10449      95.56952 
1 1 1 7  23 26 o 156.2561 63.76762 1.743207       2.227917  4.629918       2.872977  -2.611459      3.528646  212.8714 75.77643 132.1133 63.63934 80.75813       98.95470 
1 1 1 7  23 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  23 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  24 1  f 131.5217 49.17502 0.9700127      1.231880  -0.6725914     1.939891  2.080028       1.594686  122.9968 54.86776 171.4913 56.60056 -48.49449      78.82952 
1 1 1 7  24 3  o 263.4870 42.03276 5.129572       1.514727  8.415963       3.274572  4.234946       1.708503  329.3008 72.25462 236.5120 52.42174 92.78876       89.26796 
1 1 1 7  24 5  o 222.7095 46.05389 3.724437       1.403571  3.065218       3.287066  3.871432       1.552189  218.0344 80.55396 226.3611 49.80766 -8.326752      94.70872 
1 1 1 7  24 7  o 120.6027 48.09880 0.5715653      1.235835  0.000000       0.000000  0.5715653      1.235835  ?        ?        120.6027 48.09880 ?              ?        
1 1 1 7  24 9  o 217.4850 38.13596 3.506136       1.130998  12.91337       4.422774  2.847922       1.169896  404.4861 80.09753 194.4825 43.58698 210.0036       91.18903 
1 1 1 7  24 11 o 290.5393 97.64242 6.742529       4.741550  6.742529       4.741550  0.000000       0.000000  290.5393 97.64242 ?        ?        ?              ?        
1 1 1 7  24 13 o 283.3524 102.0771 6.338224       5.229944  6.338224       5.229944  0.000000       0.000000  283.3524 102.0771 ?        ?        ?              ?        
1 1 1 7  24 15 o 132.4246 66.08972 -11.68358      5.040982  -11.68358      5.040982  0.000000       0.000000  132.4246 66.08972 ?        ?        ?              ?        
1 1 1 7  24 17 o 98.25934 47.93364 -3.611802      2.172804  -3.168771      2.806026  -4.275227      3.433765  121.2620 57.97193 129.9980 62.66001 -8.736000      85.36405 
1 1 1 7  24 19 o 128.7068 42.86044 1.203045       0.9138777 1.836215       0.9511403 -6.406157      3.297267  153.9601 42.33895 112.4882 55.68077 41.47187       69.94952 
1 1 1 7  24 21 o 93.08025 41.50872 -0.2922108     1.109308  -0.6605294     1.172245  2.864147       3.431624  89.35270 40.96092 197.6809 79.69831 -108.3282      89.60813 
1 1 1 7  24 23 o 145.7650 61.71071 0.9041960      2.199004  -2.134048      2.970129  4.590001       3.271374  128.2482 60.83752 219.4876 80.48605 -91.23941      100.8921 
1 1 1 7  24 25 f 217.3625 65.94558 4.508381       2.205231  4.463652       2.928372  4.566976       3.351643  207.9270 76.16557 207.2663 80.23795 0.6606750      110.6315 
1 1 1 7  24 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  24 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  25 0  f 147.6505 71.49619 2.338704       1.742987  2.338704       1.742987  2.338704       1.742987  147.6505 71.49619 147.6505 71.49619 0.000000       0.000000 
1 1 1 7  25 2  o 152.0272 50.70697 1.614239       1.279020  1.137379       2.247406  1.842673       1.555491  162.3537 64.82510 163.5996 55.91738 -1.245926      85.60985 
1 1 1 7  25 4  o 119.4215 47.46783 0.5805299      1.199674  -3.665362      2.268298  2.229431       1.413556  102.7715 49.86997 173.4680 52.83228 -70.69657      72.65166 
1 1 1 7  25 6  o 125.5220 50.92709 0.5319175      1.411199  -0.1189203     3.662287  0.6454057      1.529295  177.5032 77.42209 132.0109 53.21053 45.49234       93.94435 
1 1 1 7  25 8  o 128.0086 49.48698 0.8190456      1.273608  3.344573       4.231664  0.5674874      1.335532  232.6759 90.13560 123.6192 49.76157 109.0566       102.9594 
1 1 1 7  25 10 o 219.9530 74.30094 3.613305       2.745488  5.599102       4.981113  2.746769       3.290426  271.3948 99.34905 209.5046 79.91086 61.89023       127.4989 
1 1 1 7  25 12 o 257.6540 98.40762 4.854553       4.994260  4.854553       4.994260  0.000000       0.000000  257.6540 98.40762 ?        ?        ?              ?        
1 1 1 7  25 14 o 163.0957 77.36111 -4.087945      4.800456  -4.087945      4.800456  0.000000       0.000000  163.0957 77.36111 ?        ?        ?              ?        
1 1 1 7  25 16 o 163.6083 77.92375 -3.975754      4.971334  -3.975754      4.971334  0.000000       0.000000  163.6083 77.92375 ?        ?        ?              ?        
1 1 1 7  25 18 o 168.5225 64.77970 1.915606       2.173524  2.186931       2.820417  1.518831       3.410671  182.5838 72.71389 180.9583 76.74275 1.625534       105.7202 
1 1 1 7  25 20 f 216.3101 66.74429 4.065019       2.246758  4.771211       3.007830  3.173622       3.379306  228.5589 77.76459 200.3735 79.66014 28.18541       111.3242 
1 1 1 7  25 22 o 177.3761 65.62861 2.604183       2.183238  2.251996       2.862805  3.093727       3.375214  176.2971 72.15546 193.1349 78.61150 -16.83781      106.7060 
1 1 1 7  25 24 f 201.5391 67.52425 3.963863       2.267730  1.492195       2.997378  7.272529       3.467950  159.4369 69.78114 252.7263 83.47028 -93.28943      108.7966 
1 1 1 7  25 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  25 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  26 1  o 143.0436 52.59478 1.243729       1.398427  -0.5905249     2.292255  2.331101       1.764909  135.0366 59.97671 179.6949 59.55417 -44.65833      84.52163 
1 1 1 7  26 3  o 119.0095 49.07807 0.3719317      1.337403  3.338130       2.450750  -0.8860287     1.595998  211.8412 70.17685 106.2524 48.35819 105.5888       85.22502 
1 1 1 7  26 5  o 125.6054 49.65699 0.6945798      1.306242  3.522113       2.664506  -0.1999570     1.498691  217.4210 73.19668 113.4201 49.49801 104.0009       88.36179 
1 1 1 7  26 7  o 85.10395 41.27925 -2.509477      1.549810  0.000000       0.000000  -2.509477      1.549810  ?        ?        85.10395 41.27925 ?              ?        
1 1 1 7  26 9  o 85.70166 40.07165 -1.113626      1.207773  -0.5264928E-02 4.378798  -1.204892      1.256516  190.3440 83.79164 86.71362 40.65033 103.6304       93.13156 
1 1 1 7  26 11 o 221.0473 92.49034 2.349499       4.848672  2.349499       4.848672  0.000000       0.000000  221.0473 92.49034 ?        ?        ?              ?        
1 1 1 7  26 13 o 217.0302 92.54905 2.219034       5.007782  2.219034       5.007782  0.000000       0.000000  217.0302 92.54905 ?        ?        ?              ?        
1 1 1 7  26 15 o 172.2793 72.44989 1.264038       2.998356  1.264038       2.998356  0.000000       0.000000  172.2793 72.44989 ?        ?        ?              ?        
1 1 1 7  26 17 o 159.6632 63.33902 1.560858       2.132043  1.643859       2.819875  1.450090       3.257602  172.3163 71.18258 176.1788 74.86964 -3.862503      103.3074 
1 1 1 7  26 19 o 116.3863 54.25032 -1.311624      2.185952  -0.9004667     2.919323  -1.836366      3.298004  139.3773 64.16663 139.0487 65.39642 0.3285980      91.61903 
1 1 1 7  26 21 f 123.4342 56.08824 -0.4216306     2.136337  -3.507920      2.855719  3.500635       3.219331  113.8694 55.41539 196.5180 77.87250 -82.64866      95.57715 
1 1 1 7  26 23 o 116.6556 54.29480 -0.7936023     2.176635  -3.030974      2.840672  2.388000       3.387467  113.3329 55.18015 172.0106 74.75050 -58.67777      92.91118 
1 1 1 7  26 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  26 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  27 0  o 103.7790 66.50471 0.2342056      2.205144  0.2342056      2.205144  0.2342056      2.205144  103.7790 66.50471 103.7790 66.50471 0.000000       0.000000 
1 1 1 7  27 2  o 190.9940 53.05975 2.801227       1.485378  3.067003       2.528881  2.661240       1.835338  204.9330 71.24476 188.4475 60.62187 16.48558       93.54585 
1 1 1 7  27 4  o 197.9842 51.60927 3.022068       1.460571  0.9086040      2.678512  3.916423       1.742413  166.3625 69.10782 224.5005 55.22800 -58.13800      88.46481 
1 1 1 7  27 6  f 144.8697 54.10447 1.270053       1.490383  4.172066       3.847280  0.7576605      1.616611  236.5337 87.19080 135.8807 54.73030 100.6530       102.9448 
1 1 1 7  27 8  o 110.3823 46.49492 0.1977468      1.238026  3.090047       2.722223  -0.5564568     1.390101  205.1615 73.67792 102.0738 45.91914 103.0876       86.81591 
1 1 1 7  27 10 f 130.1310 61.88379 -3.106475      3.111026  -1.954474      4.811395  -3.934148      4.078252  176.3581 81.61238 147.4336 70.31991 28.92450       107.7287 
1 1 1 7  27 12 o 232.9669 94.72118 4.111033       4.893996  4.111033       4.893996  0.000000       0.000000  232.9669 94.72118 ?        ?        ?              ?        
1 1 1 7  27 14 o 136.6891 60.06905 0.3214669E-01  2.241502  3.123260       2.817726  -5.295277      3.699133  198.8375 74.36633 127.0485 62.09993 71.78899       96.88526 
1 1 1 7  27 16 o 104.2159 49.94521 -2.365305      2.110812  -4.302824      2.757122  0.3785409      3.281050  108.6551 53.21549 161.5525 71.75473 -52.89740      89.33437 
1 1 1 7  27 18 o 103.9973 49.60770 -2.004405      2.030725  -1.710207      2.713787  -2.378766      3.061264  125.7601 59.20115 128.3420 61.13297 -2.581856      85.10004 
1 1 1 7  27 20 o 118.3784 54.16418 -0.5391226     2.036850  -1.808406      2.669707  1.228821       3.150782  121.2520 57.56509 161.5628 71.10131 -40.31082      91.48298 
1 1 1 7  27 22 o 90.62656 44.66287 -3.283593      2.041194  -3.475133      2.734184  -3.042439      3.067925  107.2783 52.63424 117.1147 57.09339 -9.836327      77.65319 
1 1 1 7  27 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  27 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  28 1  o 166.0850 58.88539 1.926088       1.733351  1.698902       2.558593  2.118804       2.356514  175.6185 69.47599 180.2854 67.88603 -4.666946      97.13612 
1 1 1 7  28 3  o 162.7211 55.02550 1.927975       1.505781  1.929778       2.655370  1.927121       1.828138  181.1638 71.05012 167.3462 60.34254 13.81764       93.21664 
1 1 1 7  28 5  o 119.2872 50.42186 0.2445890      1.464248  2.000401       2.773841  -0.4336785     1.724023  183.6892 72.44211 116.4148 51.84148 67.27438       89.08085 
1 1 1 7  28 7  o 85.54603 40.83954 -1.692155      1.382189  -1.879223      2.723066  -1.627231      1.604210  129.7570 60.50496 95.49131 45.12387 34.26568       75.47856 
1 1 1 7  28 9  o 94.84341 42.46685 -0.3861164     1.173659  -1.313890      2.824152  -0.1924342     1.290363  137.0068 63.08861 103.3452 45.49024 33.66156       77.77876 
1 1 1 7  28 11 o 130.6631 57.53713 -0.6170371E-01 2.066146  -0.2566708     2.713998  0.2070572      3.186485  144.6668 64.69113 160.3162 70.98518 -15.64941      96.04082 
1 1 1 7  28 13 o 125.7974 56.94380 -0.5633090     2.176553  0.8632493      2.661634  -3.442905      3.781546  156.7476 67.17251 138.7497 66.58892 17.99786       94.58452 
1 1 1 7  28 15 o 117.6829 54.38579 -1.017329      2.126006  -3.462646      2.711266  2.886710       3.425797  112.1980 54.46241 193.5466 79.04028 -81.34866      95.98708 
1 1 1 7  28 17 o 182.5758 65.63336 2.878897       2.160840  2.045069       2.875850  3.959993       3.274614  172.1257 71.56406 205.0105 79.32523 -32.88472      106.8359 
1 1 1 7  28 19 o 101.9259 49.00525 -2.083589      2.069399  -3.630309      2.672200  0.2338150      3.270874  106.4877 52.20275 149.5401 68.50319 -43.05238      86.12673 
1 1 1 7  28 21 o 120.1891 55.07916 -0.2059297     2.117307  -0.2233824     2.839657  -0.1840789     3.177372  133.5805 62.11903 139.0319 65.00325 -5.451401      89.91216 
1 1 1 7  28 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  28 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  29 0  o 128.4568 77.59999 1.472557       2.583450  1.472557       2.583450  1.472557       2.583450  128.4568 77.59999 128.4568 77.59999 0.000000       0.000000 
1 1 1 7  29 2  o 168.3125 59.68879 2.076153       1.781059  0.3062243      2.637127  3.560584       2.415090  151.9711 65.99879 209.0684 69.67670 -57.09732      95.97231 
1 1 1 7  29 4  o 109.1081 48.61359 -0.3573092     1.518101  -1.785278      2.614270  0.3692027      1.864715  126.4649 59.07354 132.7989 56.54738 -6.334007      81.77585 
1 1 1 7  29 6  o 87.19768 41.94285 -2.017880      1.519858  1.900245       3.698718  -2.813862      1.667108  190.2797 80.26874 85.60742 41.81061 104.6723       90.50523 
1 1 1 7  29 8  o 140.0384 51.39622 1.342088       1.334440  1.661769       2.700882  1.238848       1.534863  170.7993 70.01570 141.2884 54.40404 29.51097       88.66791 
1 1 1 7  29 10 o 109.4984 37.28130 0.8510097      0.6913248 -1.462115      2.739562  1.008327       0.7144469 130.5245 60.80439 116.7560 37.84582 13.76846       71.62039 
1 1 1 7  29 12 o 105.6273 50.24999 -1.956633      2.055155  -0.6778777E-01 2.654587  -4.782478      3.246930  142.4480 63.81826 117.2205 57.48050 25.22749       85.88818 
1 1 1 7  29 14 o 145.7316 60.59338 1.111358       2.061858  1.497422       2.639696  0.5072281      3.302092  161.5606 67.96266 158.8557 71.17254 2.704880       98.40962 
1 1 1 7  29 16 o 140.3072 59.46182 0.9495292      2.045196  -1.435225      2.555667  5.196736       3.410627  121.7573 57.35815 221.0571 81.98385 -99.29981      100.0565 
1 1 1 7  29 18 o 98.30558 47.40707 -2.049666      1.971242  -4.527811      2.625338  1.153137       2.984606  98.85841 49.06501 152.5609 68.05641 -53.70246      83.89905 
1 1 1 7  29 20 o 160.6574 62.36205 2.428272       2.028727  2.445575       2.757479  2.407854       2.995367  162.8383 69.02873 163.2489 70.61935 -0.4106903     98.75251 
1 1 1 7  29 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  29 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  30 1  o 128.7118 55.29108 0.3120878      1.811441  2.049724       2.617392  -1.285297      2.509540  175.4651 69.99199 126.8680 58.79060 48.59711       91.40685 
1 1 1 7  30 3  o 88.09273 42.36345 -1.990082      1.548387  -0.6094519     2.685384  -2.677704      1.895146  138.4421 62.89847 94.45873 45.77671 43.98341       77.79283 
1 1 1 7  30 5  o 118.8548 51.61432 0.1132246      1.612705  4.970741       4.020302  -0.8183118     1.760562  230.1158 88.19211 109.4019 50.16899 120.7139       101.4632 
1 1 1 7  30 7  o 141.6592 52.49498 1.405131       1.397826  2.529460       2.684503  0.9868941      1.637301  182.4873 71.47746 136.2860 55.01355 46.20132       90.19711 
1 1 1 7  30 9  o 83.89022 39.41991 -1.042589      1.193702  -4.040813      2.526064  -0.1805676     1.354476  102.9909 50.54304 104.1017 46.17768 -1.110786      68.46150 
1 1 1 7  30 11 o 113.7488 52.98727 -1.142446      2.080091  -1.454028      2.531640  -0.4950525     3.649220  122.7013 57.57818 154.2125 71.26240 -31.51123      91.61646 
1 1 1 7  30 13 o 93.59689 45.73059 -2.960317      2.000057  -4.786906      2.474639  0.4804106      3.396382  95.62150 47.48876 156.9627 71.08389 -61.34122      85.48743 
1 1 1 7  30 15 o 132.5902 57.58957 0.6612490      2.008472  0.4912039      2.510931  0.9633229      3.346643  139.4666 62.30480 156.7443 70.81404 -17.27765      94.32135 
1 1 1 7  30 17 o 153.5695 61.55212 2.042669       2.034101  2.443095       2.599974  1.410859       3.265883  163.2487 67.97316 154.3923 69.83344 8.856400       97.45287 
1 1 1 7  30 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  30 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  30 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  31 0  o 123.0968 75.34589 1.431494       2.505536  1.431494       2.505536  1.431494       2.505536  123.0968 75.34589 123.0968 75.34589 0.000000       0.000000 
1 1 1 7  31 2  o 138.7191 56.31921 1.051558       1.727196  1.078199       2.543857  1.028773       2.352589  154.8381 65.99317 150.6631 63.80890 4.174927       91.79692 
1 1 1 7  31 4  o 79.13438 39.19476 -3.381620      1.642995  -4.706342      3.433582  -2.988222      1.871115  120.9106 59.25270 90.09776 44.06598 30.81280       73.84235 
1 1 1 7  31 6  o 71.15725 35.41874 -3.224980      1.407937  -3.000427      2.526838  -3.326085      1.695528  109.4879 53.01202 81.25261 40.16648 28.23534       66.51031 
1 1 1 7  31 8  o 87.46356 41.23630 -1.148000      1.325755  -4.937352      2.454771  0.4124126      1.575245  94.59330 47.03175 120.8861 51.73756 -26.29279      69.91967 
1 1 1 7  31 10 o 68.66561 32.42085 -0.8069171     0.8249776 -2.484169      2.689886  -0.6327698     0.8667485 115.9895 55.79367 73.81615 34.32424 42.17333       65.50639 
1 1 1 7  31 12 o 127.7735 57.27209 0.1336844      2.140789  0.2462500      2.562372  -0.1264990     3.895645  137.5452 62.06828 153.7524 71.91528 -16.20714      94.99619 
1 1 1 7  31 14 o 121.9062 55.14450 0.6301371E-01  2.037013  0.5468190      2.568636  -0.7568901     3.343865  137.6339 62.12288 136.7292 64.77007 0.9046173      89.74638 
1 1 1 7  31 16 o 128.3905 55.84311 0.8566960      1.893972  1.558953       2.434098  -0.2208947     3.015205  145.7156 63.34357 132.9160 62.51764 12.79964       88.99923 
1 1 1 7  31 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  31 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  32 1  o 98.42184 46.77299 -1.584013      1.771244  -3.613962      2.601833  0.1693386      2.418084  106.0443 51.88595 136.5154 61.05315 -30.47108      80.12265 
1 1 1 7  32 3  f 123.2749 53.28310 0.3990873      1.702426  3.231700       2.551269  -1.874595      2.285744  187.7684 70.65030 110.8717 52.81518 76.89668       88.20946 
1 1 1 7  32 5  o 114.5745 49.41816 0.3066462      1.458348  2.973859       2.513545  -1.046824      1.790533  181.6162 69.70112 104.6071 48.87177 77.00912       85.12753 
1 1 1 7  32 7  o 88.06004 41.55587 -1.114289      1.352057  -1.348506      2.498033  -1.017246      1.607940  119.8502 56.53562 98.51785 46.11986 21.33230       72.96107 
1 1 1 7  32 9  o 144.2489 58.76834 1.477294       1.888428  5.587225       2.509396  -3.889669      2.867585  234.2388 70.18970 108.4106 53.33181 125.8282       88.15257 
1 1 1 7  32 11 o 122.7197 53.98078 0.4719486      1.814065  -3.426282      2.513671  4.708953       2.620621  101.3674 49.87978 206.0913 72.46377 -104.7239      87.97153 
1 1 1 7  32 13 o 125.1130 56.08066 0.4769407      2.052756  -1.223973      2.523437  3.804496       3.529507  115.7751 55.24617 177.5438 76.73016 -61.76874      94.54976 
1 1 1 7  32 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  32 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  32 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  33 0  o 92.71310 62.55713 -0.3548811     2.381951  -0.3548811     2.381951  -0.3548811     2.381951  92.71310 62.55713 92.71310 62.55713 0.000000       0.000000 
1 1 1 7  33 2  f 103.2090 48.13111 -0.8536040     1.723933  -3.014682      2.500485  1.104224       2.379996  105.0359 51.27909 144.1691 62.65381 -39.13319      80.96323 
1 1 1 7  33 4  o 161.4718 60.47511 2.341160       1.864700  0.8719001      3.518394  2.915051       2.198922  154.3615 70.83669 174.2094 65.58144 -19.84798      96.53373 
1 1 1 7  33 6  o 139.8999 57.73688 1.408486       1.852828  0.8903209      2.452841  2.097040       2.827509  139.7619 62.06062 159.7988 68.86678 -20.03693      92.70466 
1 1 1 7  33 8  o 108.1744 50.32794 -0.5853804     1.867357  -2.578244      2.409320  2.412787       2.955179  103.4561 50.47018 161.6106 70.02687 -58.15443      86.31918 
1 1 1 7  33 10 o 142.5743 57.60527 1.761968       1.797052  0.8366943      2.388606  2.968761       2.727885  133.8175 60.19656 165.6617 69.34915 -31.84422      91.83099 
1 1 1 7  33 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  33 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  33 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  33 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  34 1  o 100.9499 47.16992 -0.6689550     1.668986  -3.297817      2.478227  1.512964       2.257754  99.34294 49.00673 142.1872 61.40907 -42.84422      78.56674 
1 1 1 7  34 3  o 145.2099 58.44684 1.884903       1.842221  4.080933       3.395432  0.9687789      2.193073  178.7248 76.21061 132.9216 58.87073 45.80315       96.30067 
1 1 1 7  34 5  o 90.39645 44.58944 -2.943511      2.050061  -2.068542      2.383367  -5.432051      4.019453  104.6199 50.84824 115.3244 57.77217 -10.70444      76.96212 
1 1 1 7  34 7  o 80.89251 40.15496 -3.092566      1.761251  -1.671323      2.336278  -4.963684      2.680654  106.0145 51.24397 93.74087 46.99136 12.27363       69.52793 
1 1 1 7  34 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  34 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  34 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  34 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  35 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  36 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  36 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  36 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  36 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  36 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  36 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  37 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  37 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  37 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7  37 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  0  0  o 1512.300 23.35063 161.9971       4.994856  161.9971       4.994856  161.9971       4.994856  1512.300 23.35063 1512.300 23.35063 0.000000       0.000000 
1 1 1 8  0  2  o 218.9963 25.74477 3.534303       0.7690188 3.534303       0.7690188 3.534303       0.7690188 218.9963 25.74477 218.9963 25.74477 0.000000       0.000000 
1 1 1 8  0  4  o 411.1816 16.92473 12.02825       0.9810600 12.02825       0.9810600 12.02825       0.9810600 411.1816 16.92473 411.1816 16.92473 0.000000       0.000000 
1 1 1 8  0  6  o 392.1165 18.12126 10.95408       1.000688  10.95408       1.000688  10.95408       1.000688  392.1165 18.12126 392.1165 18.12126 0.000000       0.000000 
1 1 1 8  0  8  o 180.6623 37.39349 2.588905       0.8437632 2.588905       0.8437632 2.588905       0.8437632 180.6623 37.39349 180.6623 37.39349 0.000000       0.000000 
1 1 1 8  0  10 o 1783.943 21.96091 225.5230       5.542465  225.5230       5.542465  225.5230       5.542465  1783.943 21.96091 1783.943 21.96091 0.000000       0.000000 
1 1 1 8  0  12 o 362.3601 26.18468 9.453809       1.326348  9.453809       1.326348  9.453809       1.326348  362.3601 26.18468 362.3601 26.18468 0.000000       0.000000 
1 1 1 8  0  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  0  16 o 1005.953 25.89702 71.94470       3.681258  71.94470       3.681258  71.94470       3.681258  1005.953 25.89702 1005.953 25.89702 0.000000       0.000000 
1 1 1 8  0  18 o 1186.057 27.40027 99.93660       4.593634  99.93660       4.593634  99.93660       4.593634  1186.057 27.40027 1186.057 27.40027 0.000000       0.000000 
1 1 1 8  0  20 o 713.9768 31.70742 36.36946       3.189374  36.36946       3.189374  36.36946       3.189374  713.9768 31.70742 713.9768 31.70742 0.000000       0.000000 
1 1 1 8  0  22 o 784.3670 33.36178 43.89811       3.688018  43.89811       3.688018  43.89811       3.688018  784.3670 33.36178 784.3670 33.36178 0.000000       0.000000 
1 1 1 8  0  24 o 960.1190 32.86622 65.72287       4.453876  65.72287       4.453876  65.72287       4.453876  960.1190 32.86622 960.1190 32.86622 0.000000       0.000000 
1 1 1 8  0  26 o 98.98342 66.10502 -0.7823991     2.537446  -0.7823991     2.537446  -0.7823991     2.537446  98.98342 66.10502 98.98342 66.10502 0.000000       0.000000 
1 1 1 8  0  28 o 144.7589 87.28855 1.665699       3.256627  1.665699       3.256627  1.665699       3.256627  144.7589 87.28855 144.7589 87.28855 0.000000       0.000000 
1 1 1 8  0  30 o 130.6783 84.21313 0.4164366      3.599573  0.4164366      3.599573  0.4164366      3.599573  130.6783 84.21313 130.6783 84.21313 0.000000       0.000000 
1 1 1 8  0  32 o 740.7485 48.78853 40.56265       5.062925  40.56265       5.062925  40.56265       5.062925  740.7485 48.78853 740.7485 48.78853 0.000000       0.000000 
1 1 1 8  0  34 f 113.4671 75.80343 -0.4189214     3.341553  -0.4189214     3.341553  -0.4189214     3.341553  113.4671 75.80343 113.4671 75.80343 0.000000       0.000000 
1 1 1 8  0  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  0  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  1  1  o 861.2269 9.974566 52.49548       1.215714  52.61810       1.722216  52.37369       1.716357  862.1359 14.11537 860.1317 14.10012 2.004211       19.95137 
1 1 1 8  1  3  o 1226.354 10.81601 106.4485       1.877166  108.3798       2.688322  104.6109       2.622335  1237.257 15.35329 1215.559 15.24377 21.69812       21.63553 
1 1 1 8  1  5  o 2052.353 15.06428 298.2245       4.375423  295.5747       5.746515  301.8799       6.749312  2042.780 19.87757 2064.091 23.10527 -21.31091      30.47902 
1 1 1 8  1  7  f 1301.567 12.29415 119.9263       2.264565  113.7274       3.323175  125.3005       3.094226  1267.127 18.53162 1330.180 16.43697 -63.05310      24.77085 
1 1 1 8  1  9  o 848.7532 12.46535 51.00318       1.497290  49.41291       2.487368  51.90687       1.875062  834.7155 21.07314 856.1089 15.47629 -21.39349      26.14561 
1 1 1 8  1  11 o 1121.333 13.54613 89.05388       2.149660  91.32796       3.081506  86.89811       3.000279  1135.043 19.18363 1107.177 19.14805 27.86597       27.10460 
1 1 1 8  1  13 o 568.0071 15.23660 22.88170       1.223684  22.22617       1.696849  23.59203       1.766344  559.1715 21.48260 576.0944 21.70397 -16.92291      30.53792 
1 1 1 8  1  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  1  17 o 350.2239 28.43398 8.788635       1.397187  10.06802       1.969746  7.493083       1.982155  373.3477 37.80035 319.9905 45.01296 53.35721       58.77953 
1 1 1 8  1  19 f 1543.929 20.70438 169.0547       4.523863  167.5697       6.367122  170.5686       6.428741  1535.393 29.30243 1549.066 29.32487 -13.67297      41.45576 
1 1 1 8  1  21 o 824.3113 21.52392 48.21914       2.508769  51.78941       3.638717  44.98421       3.463626  853.1421 30.18506 794.9422 30.84613 58.19989       43.15810 
1 1 1 8  1  23 o 213.7464 54.80965 3.419451       1.665709  4.198210       2.288898  2.542696       2.428646  236.7244 65.90392 197.8573 69.74318 38.86711       95.95539 
1 1 1 8  1  25 o 192.3391 62.71918 2.628294       1.960571  2.738561       2.776694  2.518665       2.768656  206.5729 74.38296 202.0395 74.05119 4.533447       104.9591 
1 1 1 8  1  27 f 1156.221 24.35138 95.19263       3.984595  92.54368       5.572895  97.96317       5.699370  1135.843 34.70983 1168.754 34.49525 -32.91101      48.93562 
1 1 1 8  1  29 o 524.9583 37.39231 20.02518       2.759778  18.03223       3.999387  21.83680       3.813105  488.5776 59.03727 542.7590 50.21136 -54.18146      77.50212 
1 1 1 8  1  31 o 598.2555 35.67545 26.17160       3.006762  22.51237       4.086924  30.48906       4.439308  543.6172 53.82915 636.4969 49.67641 -92.87970      73.24837 
1 1 1 8  1  33 o 467.5594 42.24885 16.45426       2.765444  13.90001       3.737712  19.54372       4.110698  412.2595 66.31275 495.7851 59.79310 -83.52567      89.28939 
1 1 1 8  1  35 o 106.6141 51.32336 -2.642394      2.286356  -2.683270      3.181099  -2.598716      3.288359  129.5305 61.87025 132.5624 63.20382 -3.031830      88.44576 
1 1 1 8  1  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  2  0  o 1146.583 14.82827 93.09513       2.405206  93.09513       2.405206  93.09513       2.405206  1146.583 14.82827 1146.583 14.82827 0.000000       0.000000 
1 1 1 8  2  2  o 1323.476 11.05475 123.9780       2.070545  121.6160       2.886969  126.4800       2.971235  1310.626 15.56480 1336.571 15.70815 -25.94531      22.11355 
1 1 1 8  2  4  o 1116.257 10.60728 88.19395       1.675668  90.09306       2.403839  86.39885       2.337077  1128.053 15.05761 1104.688 14.94905 23.36499       21.21805 
1 1 1 8  2  6  o 1612.731 13.19728 184.1288       3.012079  181.3802       4.518866  186.3263       4.040593  1600.156 19.95479 1622.024 17.60225 -21.86768      26.60889 
1 1 1 8  2  8  o 1039.923 10.97132 76.55346       1.614656  74.98678       2.248459  78.22166       2.320166  1029.027 15.43969 1050.980 15.59929 -21.95288      21.94816 
1 1 1 8  2  10 o 1174.998 12.32306 97.75852       2.049157  100.4473       3.181625  95.85254       2.678725  1190.510 18.88409 1163.198 16.27252 27.31238       24.92797 
1 1 1 8  2  12 o 920.8370 13.68991 60.06782       1.784034  63.19411       2.574966  57.18173       2.474067  943.9772 19.27481 897.9291 19.46927 46.04810       27.39655 
1 1 1 8  2  14 o 579.7508 35.93956 24.10849       2.934224  24.10849       2.934224  0.000000       0.000000  579.7508 35.93956 ?        ?        ?              ?        
1 1 1 8  2  16 o 657.7606 19.61521 30.73829       1.823875  31.26186       2.601022  30.23182       2.558208  662.0016 27.82497 650.9836 27.83233 11.01801       39.35565 
1 1 1 8  2  18 o 818.5160 19.66449 47.52098       2.277874  46.09750       3.205972  48.97219       3.237052  804.6608 28.19674 829.5029 27.61326 -24.84210      39.46579 
1 1 1 8  2  20 o 1142.095 20.01072 92.47350       3.234333  93.07594       4.626195  91.89748       4.523605  1144.687 28.55733 1137.486 28.10080 7.200195       40.06464 
1 1 1 8  2  22 o 1079.086 21.17293 82.59598       3.233380  86.32469       4.646518  79.09518       4.502274  1101.458 29.83597 1054.218 30.20854 47.23962       42.45870 
1 1 1 8  2  24 o 516.2039 29.49785 19.04132       2.145951  16.05499       3.041764  22.00058       3.027949  470.3342 46.29774 553.0807 38.93354 -82.74652      60.49216 
1 1 1 8  2  26 o 521.0023 32.17355 19.46602       2.360667  20.90161       3.261955  17.88734       3.420671  537.1326 43.27787 494.8092 49.51313 42.32346       65.76112 
1 1 1 8  2  28 o 890.9349 27.44536 56.76710       3.456340  55.89636       4.920116  57.61547       4.856510  879.0396 39.65215 893.0263 38.51790 -13.98676      55.28039 
1 1 1 8  2  30 o 590.2543 36.25654 25.39435       3.014009  24.63362       4.236068  26.17435       4.289335  572.0358 52.92628 590.4683 51.85643 -18.43250      74.09643 
1 1 1 8  2  32 o 859.3051 29.72040 53.58281       3.608839  55.22481       5.161789  52.01273       5.047468  861.3427 42.47624 835.5217 42.82996 25.82098       60.32111 
1 1 1 8  2  34 o 189.4319 69.35860 2.841466       2.427907  2.413200       3.419023  3.277103       3.448324  191.5242 78.67276 204.8150 80.77164 -13.29082      112.7540 
1 1 1 8  2  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  2  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  3  1  o 386.1891 12.97431 10.56941       0.7080873 10.81289       0.9624838 10.28216       1.045423  390.3796 17.46576 380.5286 19.47746 9.851013       26.16150 
1 1 1 8  3  3  o 1336.216 11.13896 126.3790       2.106401  128.2191       3.008242  124.6089       2.950402  1345.702 15.79590 1326.625 15.71495 19.07605       22.28161 
1 1 1 8  3  5  f 1963.564 13.76039 272.9603       3.823804  272.7385       5.421903  273.1798       5.393558  1962.263 19.52427 1963.862 19.40638 -1.598877      27.52825 
1 1 1 8  3  7  o 637.9133 10.99749 28.80558       0.9928301 26.48728       1.370972  31.36213       1.439695  611.3757 15.85870 665.5029 15.28624 -54.12714      22.02652 
1 1 1 8  3  9  o 1012.386 11.21618 72.55983       1.606981  71.57597       2.247576  73.58878       2.298510  1005.255 15.79859 1019.283 15.93425 -14.02783      22.43871 
1 1 1 8  3  11 o 441.3001 17.83905 13.82569       1.111808  12.56876       1.377810  16.17181       1.882392  420.2221 23.25883 476.2659 28.05229 -56.04376      36.44042 
1 1 1 8  3  13 o 141.0597 43.55267 1.424532       0.9564807 2.362603       1.319892  0.3871323      1.388013  178.6500 50.15907 122.5007 50.20188 56.14932       70.96591 
1 1 1 8  3  15 o 1342.580 26.68964 128.2938       5.071108  135.1528       7.352637  122.0710       7.003365  1373.458 37.86364 1305.206 37.95502 68.25208       53.61193 
1 1 1 8  3  17 o 696.2281 19.82570 34.42632       1.951450  36.51201       2.849664  32.58450       2.677875  715.7021 28.18979 676.0773 28.04907 39.62482       39.76700 
1 1 1 8  3  19 o 798.9810 20.57128 45.29956       2.324107  49.79442       3.424474  41.46133       3.164469  836.5703 28.96859 763.2189 29.35231 73.35138       41.24000 
1 1 1 8  3  21 o 519.4253 25.39649 19.19597       1.861222  18.75749       2.634387  19.63298       2.629949  511.9320 36.60352 523.9459 35.68127 -12.01389      51.11723 
1 1 1 8  3  23 f 519.7647 27.24169 19.26305       1.996834  18.12723       2.797597  20.44269       2.851061  501.9831 39.70314 533.6110 38.00262 -31.62796      54.95943 
1 1 1 8  3  25 f 484.6189 31.88107 16.83378       2.174374  13.82407       3.042025  19.97775       3.109132  434.5790 50.39553 525.7473 42.13969 -91.16824      65.69218 
1 1 1 8  3  27 o 1508.681 24.60228 162.1263       5.252820  160.9552       7.318295  163.3708       7.544068  1498.456 34.51009 1509.196 35.32158 -10.74023      49.38178 
1 1 1 8  3  29 o 605.9230 32.95198 26.51925       2.815018  26.00738       4.044237  27.00032       3.920710  593.0134 48.61591 605.5982 46.09299 -12.58484      66.99306 
1 1 1 8  3  31 o 506.6765 39.60869 18.95669       2.817593  19.47309       3.963377  18.42904       4.006327  502.9634 56.66634 487.3381 59.30916 15.62531       82.02835 
1 1 1 8  3  33 o 256.2712 67.28131 5.521294       2.470726  5.162137       3.419884  5.913428       3.573440  242.7579 82.91377 256.8649 84.72567 -14.10703      118.5459 
1 1 1 8  3  35 o 136.0917 62.54956 -0.8159071     2.757946  -1.327607      3.488489  0.3701499E-01  4.503853  146.5689 68.39017 174.1986 80.01567 -27.62967      105.2603 
1 1 1 8  3  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  4  0  o 858.4449 14.31937 52.20180       1.738536  52.20180       1.738536  52.20180       1.738536  858.4449 14.31937 858.4449 14.31937 -0.000000      0.000000 
1 1 1 8  4  2  o 307.1327 15.04042 6.694608       0.6517531 7.135181       1.055128  6.422794       0.8287665 316.4395 23.73398 300.4976 19.59506 15.94196       30.77772 
1 1 1 8  4  4  f 1163.285 10.71659 95.78434       1.764259  97.65008       2.529525  94.01698       2.461926  1174.377 15.21990 1152.329 15.09658 22.04773       21.43717 
1 1 1 8  4  6  o 1052.497 10.72626 78.41193       1.597677  79.42404       2.283262  77.44094       2.236380  1059.082 15.23374 1045.782 15.11070 13.29956       21.45694 
1 1 1 8  4  8  o 740.3822 10.94605 38.80527       1.146920  39.08036       1.637954  38.54064       1.606485  742.8361 15.58077 737.6967 15.38789 5.139343       21.89857 
1 1 1 8  4  10 o 591.5195 12.75336 24.77829       1.067612  24.30477       1.600068  25.15825       1.433318  585.2215 19.34620 595.6116 17.02180 -10.39008      25.76853 
1 1 1 8  4  12 o 899.8028 13.68076 57.36118       1.742117  57.75033       2.420202  56.94273       2.509685  902.3406 18.95227 895.9133 19.79399 6.427307       27.40421 
1 1 1 8  4  14 o 1397.938 34.39294 139.6060       6.804199  139.6060       6.804199  0.000000       0.000000  1397.938 34.39294 ?        ?        ?              ?        
1 1 1 8  4  16 o 527.1074 21.80918 19.76938       1.623376  17.55371       2.269339  22.09150       2.323210  494.8995 32.58256 556.0017 29.63221 -61.10220      44.04192 
1 1 1 8  4  18 o 580.6331 25.87428 23.99629       2.120790  23.36550       2.599660  25.25141       3.667022  572.0038 32.24482 592.4370 44.05253 -20.43323      54.59261 
1 1 1 8  4  20 o 1182.691 20.27581 99.16836       3.393669  100.2570       4.811362  98.09050       4.787473  1188.027 28.61687 1175.093 28.78819 12.93359       40.59168 
1 1 1 8  4  22 o 385.4682 32.77327 10.65428       1.770903  12.88957       2.615328  8.761636       2.406548  422.1386 44.44357 345.8275 50.67484 76.31116       67.40305 
1 1 1 8  4  24 f 1327.502 22.51388 125.2027       4.229658  126.9461       6.061720  123.5485       5.904651  1333.936 32.11007 1316.099 31.70194 17.83630       45.12282 
1 1 1 8  4  26 o 687.0245 27.41361 33.69706       2.660023  34.54530       3.870809  32.93804       3.661585  692.3157 39.67345 676.3550 38.41171 15.96069       55.22175 
1 1 1 8  4  28 o 961.7516 26.39190 66.11875       3.588745  70.84217       5.196295  61.81117       4.962290  990.6821 37.12862 924.8629 37.99361 65.81915       53.12296 
1 1 1 8  4  30 o 848.2858 28.98018 51.88285       3.473960  50.66936       4.861993  53.14854       4.965484  830.2366 41.51189 850.4482 41.38086 -20.21161      58.61410 
1 1 1 8  4  32 o 430.7338 45.36826 14.02577       2.724062  12.99356       3.867859  15.04165       3.837137  396.6825 71.52914 432.8467 64.61600 -36.16415      96.39318 
1 1 1 8  4  34 o 399.3418 47.08688 12.43798       2.610017  11.26589       3.665343  13.64364       3.717451  355.8311 75.14697 399.6888 68.16400 -43.85770      101.4564 
1 1 1 8  4  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  4  38 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  5  1  o 810.5408 10.02361 46.50001       1.149791  47.12229       1.628797  45.88191       1.623317  815.8417 14.10722 805.0284 14.24861 10.81323       20.05084 
1 1 1 8  5  3  f 763.9120 10.72140 41.30592       1.159083  40.68333       1.750926  41.79157       1.546436  757.9769 16.32270 768.2985 14.22270 -10.32159      21.64985 
1 1 1 8  5  5  o 1903.252 13.52524 256.4606       3.643016  256.2850       5.151989  256.6362       5.152018  1902.077 19.13934 1903.381 19.12634 -1.303833      27.05793 
1 1 1 8  5  7  o 778.8929 10.81458 42.94621       1.192085  42.34598       1.660365  43.58477       1.712572  773.2762 15.17222 784.4946 15.42549 -11.21838      21.63659 
1 1 1 8  5  9  o 1544.908 12.60376 169.0103       2.755640  173.7225       4.018943  164.8293       3.785639  1565.683 18.13795 1525.156 17.53901 40.52686       25.23097 
1 1 1 8  5  11 f 1496.299 14.73009 158.6336       3.119202  158.5133       4.337661  158.7625       4.488649  1494.814 20.50448 1495.857 21.20341 -1.043335      29.49607 
1 1 1 8  5  13 o 1282.679 20.27929 116.7854       3.681209  113.5996       4.321200  125.2148       7.029059  1264.235 24.15221 1322.610 37.59121 -58.37549      44.68141 
1 1 1 8  5  15 o 1200.488 21.00012 102.3545       3.567790  102.5517       4.306313  101.9227       6.371218  1200.636 25.34397 1192.470 37.80107 8.165527       45.51085 
1 1 1 8  5  17 f 544.1131 24.67068 21.07813       1.894781  22.47435       3.391632  20.44465       2.284535  558.4402 43.25223 535.0206 30.29603 23.41956       52.80725 
1 1 1 8  5  19 o 1862.781 22.24198 246.1387       5.863475  243.5648       8.108820  248.9595       8.488625  1850.890 30.95688 1870.954 32.05932 -20.06433      44.56601 
1 1 1 8  5  21 o 1106.193 20.85404 86.77849       3.264682  88.81320       4.665506  84.82632       4.569894  1117.462 29.52752 1092.061 29.59647 25.40039       41.80700 
1 1 1 8  5  23 o 1066.739 21.65545 80.79364       3.269227  79.64455       4.632076  81.93414       4.614744  1056.807 31.00488 1072.049 30.44760 -15.24243      43.45525 
1 1 1 8  5  25 o 465.7748 32.08022 15.56409       2.101708  16.24834       3.036059  14.93448       2.912329  472.6313 45.97097 452.9158 46.07716 19.71555       65.08790 
1 1 1 8  5  27 o 340.0703 47.75073 8.550319       2.234873  10.04075       3.251771  7.216076       3.076669  362.8081 65.75244 304.4649 72.45729 58.34320       97.84397 
1 1 1 8  5  29 o 984.2433 26.77373 69.47949       3.725870  68.85387       5.257841  70.11054       5.280584  973.0400 38.25640 982.0213 38.06841 -8.981262      53.96995 
1 1 1 8  5  31 o 303.0881 60.70794 7.301579       2.513107  8.128229       3.414510  6.324468       3.712270  310.2630 77.88988 270.9124 86.11909 39.35065       116.1177 
1 1 1 8  5  33 o 201.7048 68.62455 3.317688       2.342329  1.458297       3.329175  5.140404       3.296178  179.6559 75.98851 240.9726 81.41225 -61.31673      111.3652 
1 1 1 8  5  35 o 303.3369 79.17951 8.823075       3.434810  12.03984       4.899476  5.714091       4.816692  330.3933 97.85253 233.9473 94.38580 96.44604       135.9551 
1 1 1 8  5  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  6  0  o 894.6890 14.36024 56.70142       1.817194  56.70142       1.817194  56.70142       1.817194  894.6890 14.36024 894.6890 14.36024 -0.000000      0.000000 
1 1 1 8  6  2  o 831.4903 10.94998 48.93869       1.288517  48.26396       1.691953  49.87033       1.988149  825.6331 14.48043 839.1762 16.74079 -13.54315      22.13452 
1 1 1 8  6  4  o 345.3188 13.80836 8.456252       0.6734503 8.542871       0.9333910 8.362200       0.9726252 346.7433 19.09483 342.9659 20.12742 3.777405       27.74393 
1 1 1 8  6  6  o 511.9854 11.74316 18.55737       0.8508683 18.69455       1.191176  18.41446       1.215821  513.4936 16.41267 509.5992 16.88189 3.894348       23.54515 
1 1 1 8  6  8  o 346.4311 15.61179 8.518638       0.7634347 8.680512       1.128651  8.382106       1.036540  349.0919 22.97315 343.1614 21.45090 5.930481       31.43098 
1 1 1 8  6  10 f 659.8119 12.32109 30.83226       1.150507  32.08800       1.765615  29.90560       1.516724  672.4904 18.56975 649.3884 16.51714 23.10193       24.85259 
1 1 1 8  6  12 o 352.6867 19.09338 8.850695       0.9494441 7.922916       1.276564  9.999243       1.420349  332.6074 27.36181 373.9633 27.01996 -41.35587      38.45448 
1 1 1 8  6  14 o 583.7797 25.85572 24.29672       2.130819  27.70171       2.803971  19.64271       3.278154  622.2356 31.94886 520.6548 44.92883 101.5808       55.13011 
1 1 1 8  6  16 o 847.2421 28.39829 51.16132       3.400207  49.72682       4.773358  52.63900       4.844672  832.1246 40.65673 856.3716 40.08567 -24.24695      57.09493 
1 1 1 8  6  18 o 811.6834 20.21372 46.72211       2.321949  43.85315       3.187799  49.96444       3.388880  784.9649 28.74451 837.9652 28.61859 -53.00031      40.56194 
1 1 1 8  6  20 o 138.6974 51.71499 1.052557       1.360547  0.5640323      1.960714  1.506225       1.889470  145.9606 59.72405 164.0916 60.99024 -18.13104      85.36259 
1 1 1 8  6  22 f 1122.025 24.19988 89.41493       3.842692  87.59911       4.725838  92.95821       6.601535  1109.038 30.13806 1139.376 41.00784 -30.33801      50.89150 
1 1 1 8  6  24 o 1653.607 23.06176 194.3551       5.396902  195.5255       7.718519  193.2354       7.549046  1654.735 32.95989 1645.257 32.42191 9.477661       46.23348 
1 1 1 8  6  26 o 809.3337 25.81293 46.72033       2.952765  47.09426       4.225725  46.36354       4.127681  809.2026 36.99771 803.0908 36.41271 6.111816       51.91065 
1 1 1 8  6  28 o 199.3365 67.08122 2.882464       2.237885  6.730079       3.234317  -0.6514550     3.099668  290.4149 77.32545 157.3111 69.81412 133.1038       104.1789 
1 1 1 8  6  30 o 856.7740 28.38227 52.95642       3.436634  51.11214       4.895695  54.74807       4.825338  832.5532 41.68370 863.4126 39.59563 -30.85944      57.49213 
1 1 1 8  6  32 o 582.9713 34.95937 25.02239       2.870984  29.66938       4.299078  21.28169       3.857147  623.5013 49.11760 524.7317 52.65152 98.76959       72.00500 
1 1 1 8  6  34 o 484.1286 57.14979 19.15000       3.840190  13.39013       5.397398  25.05490       5.464928  349.4467 102.4971 530.7619 74.82944 -181.3152      126.9059 
1 1 1 8  6  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  7  1  f 1383.558 11.39003 135.5061       2.230192  134.8966       3.140376  136.1263       3.167738  1380.169 16.07791 1386.441 16.14463 -6.271973      22.78482 
1 1 1 8  7  3  o 1162.646 10.84625 95.68663       1.784624  91.51329       2.455996  100.3552       2.597634  1136.795 15.26602 1190.438 15.41884 -53.64258      21.69774 
1 1 1 8  7  5  o 798.0320 10.54476 45.08228       1.190904  45.12897       1.690821  45.03631       1.677641  798.2815 14.96656 797.4660 14.86507 0.8154907      21.09427 
1 1 1 8  7  7  o 1335.010 12.36588 126.1981       2.336305  125.2103       3.527834  126.9697       3.118050  1329.190 18.75431 1338.736 16.45767 -9.545654      24.95154 
1 1 1 8  7  9  o 753.3788 12.06659 40.19436       1.286524  40.76066       1.922659  39.73523       1.731203  758.3012 17.91599 748.8135 16.33633 9.487732       24.24579 
1 1 1 8  7  11 o 562.3275 14.62787 22.42434       1.163112  22.78183       1.576580  21.99739       1.722921  566.2940 19.70228 556.1827 21.93211 10.11133       29.48215 
1 1 1 8  7  13 o 334.3166 26.59535 8.004639       1.247934  9.300709       1.538343  5.510180       2.134161  359.8954 30.49014 270.5055 57.52026 89.38992       65.10168 
1 1 1 8  7  15 o 628.4551 22.16179 28.09416       1.967971  27.84815       2.290217  28.78850       3.847591  625.0883 25.94541 631.5920 43.30807 -6.503723      50.48518 
1 1 1 8  7  17 o 640.9095 20.60181 29.16967       1.866196  31.78037       2.699655  26.78041       2.582632  667.9262 28.62651 612.8437 29.86778 55.08252       41.37102 
1 1 1 8  7  19 o 1173.118 20.33624 97.57585       3.376233  101.4329       4.989209  94.31747       4.585701  1194.760 29.50740 1152.315 28.11996 42.44531       40.76051 
1 1 1 8  7  21 o 557.5165 28.22787 22.15008       2.219934  21.97348       3.691886  22.25010       2.778312  551.6869 47.75620 557.6604 35.38647 -5.973511      59.43784 
1 1 1 8  7  23 o 1036.523 22.02540 76.31583       3.230893  79.16103       4.720341  73.80799       4.431655  1053.041 31.71051 1017.028 30.82583 36.01294       44.22430 
1 1 1 8  7  25 o 510.3658 31.31779 18.67335       2.251107  17.78097       3.167349  19.58421       3.199993  494.3212 45.79651 519.5229 43.93509 -25.20169      63.46347 
1 1 1 8  7  27 o 218.8163 67.84190 3.612892       2.318029  0.9386830      3.196801  6.577893       3.366125  181.3179 75.42429 288.3346 79.78924 -107.0166      109.7959 
1 1 1 8  7  29 o 927.2506 28.05090 61.85530       3.676750  60.36072       5.402086  63.14517       5.018497  906.6150 42.21950 930.3965 38.19533 -23.78156      56.93303 
1 1 1 8  7  31 f 304.8812 58.39842 7.372506       2.428004  9.972713       3.592854  5.186868       3.294008  344.2854 75.79585 247.4397 81.33263 96.84572       111.1756 
1 1 1 8  7  33 f 394.9199 47.33664 12.09895       2.592959  9.893129       3.759782  14.09970       3.580760  329.5441 81.16146 413.4464 63.20176 -83.90228      102.8671 
1 1 1 8  7  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  7  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  8  0  o 1555.369 17.16411 171.3309       3.777075  171.3309       3.777075  171.3309       3.777075  1555.369 17.16411 1555.369 17.16411 -0.000000      0.000000 
1 1 1 8  8  2  o 1093.074 10.73827 84.57986       1.661132  84.65265       2.358884  84.50826       2.339623  1093.318 15.24546 1092.391 15.13380 0.9262695      21.48153 
1 1 1 8  8  4  o 707.7639 10.73227 35.46173       1.074978  34.53095       1.487272  36.47990       1.555522  698.2634 15.05051 717.6871 15.31515 -19.42371      21.47258 
1 1 1 8  8  6  o 789.7378 11.32920 44.15829       1.266199  42.43762       1.654368  46.59169       1.967388  774.0207 15.10288 810.8966 17.14370 -36.87592      22.84739 
1 1 1 8  8  8  f 939.6508 10.98980 62.51907       1.461423  60.73751       2.033583  64.42184       2.101625  925.8587 15.52021 953.5223 15.57416 -27.66357      21.98707 
1 1 1 8  8  10 o 655.6018 12.46278 30.44690       1.156312  31.67937       1.766928  29.52372       1.529245  668.0239 18.70833 645.0854 16.76519 22.93842       25.12117 
1 1 1 8  8  12 f 554.3434 19.97643 21.84500       1.564610  21.19205       1.848961  23.49175       2.936309  545.4228 24.01266 571.8908 36.47017 -26.46802      43.66556 
1 1 1 8  8  14 o 1087.368 20.29080 83.95929       3.122449  84.53645       3.674768  82.46044       5.921948  1090.377 23.81406 1071.844 39.10586 18.53345       45.78622 
1 1 1 8  8  16 o 451.1584 26.02573 14.51494       1.654645  12.79921       1.860906  20.99302       3.615960  422.7918 31.32375 538.5611 47.94327 -115.7693      57.26897 
1 1 1 8  8  18 o 199.3991 47.00705 2.957683       1.304707  4.347012       1.844991  1.567925       1.845276  241.3099 55.22313 164.4568 60.42493 76.85316       81.85822 
1 1 1 8  8  20 o 335.0911 34.57438 8.078518       1.616083  8.665132       2.338257  7.542025       2.236135  344.3812 49.38868 320.4988 51.00838 23.88245       71.00067 
1 1 1 8  8  22 o 365.5440 34.62544 9.621290       1.769891  5.982584       2.458238  13.53767       2.550308  281.3734 63.27330 432.6105 42.19136 -151.2372      76.05012 
1 1 1 8  8  24 o 1408.700 22.74055 141.0798       4.533559  140.1003       6.472254  142.0233       6.352270  1400.322 32.65936 1410.241 31.82848 -9.918213      45.60358 
1 1 1 8  8  26 o 170.0864 65.82109 1.493461       2.254822  0.4717227      2.817635  3.313086       3.760157  166.2009 70.08222 229.1211 85.86318 -62.92017      110.8332 
1 1 1 8  8  28 o 748.2484 28.63286 40.23617       3.026413  40.80147       4.393718  39.72583       4.174667  747.1003 41.72170 738.0474 40.11934 9.052917       57.88145 
1 1 1 8  8  30 o 150.9139 63.58775 0.6089427      2.316788  2.159671       3.358783  -0.7985075     3.199857  195.6059 78.85280 154.1507 69.47930 41.45514       105.0958 
1 1 1 8  8  32 o 447.7833 41.32994 15.10147       2.589565  9.796001       3.613849  20.70068       3.712541  334.8141 77.76138 516.6037 51.46403 -181.7896      93.24902 
1 1 1 8  8  34 o 237.6110 78.91612 5.438262       3.098634  0.4871033      4.209305  11.29516       4.578157  173.6465 78.83598 325.6867 94.07613 -152.0402      122.7413 
1 1 1 8  8  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  9  1  o 916.3995 10.47888 59.44988       1.359000  59.54408       1.918890  59.35508       1.924955  916.9249 14.78756 915.4646 14.85796 1.460327       20.96261 
1 1 1 8  9  3  o 1825.644 13.20401 236.0186       3.411471  235.9871       4.819681  236.0502       4.829430  1824.842 18.66265 1825.081 18.69795 -0.2388916     26.41794 
1 1 1 8  9  5  o 669.2394 10.95799 31.71102       1.037845  31.18668       1.445202  32.26938       1.491353  663.4923 15.39122 674.8997 15.61426 -11.40741      21.92475 
1 1 1 8  9  7  o 794.2828 10.97880 44.67262       1.234099  43.03020       1.719777  46.41619       1.771951  779.2701 15.59424 809.3585 15.47002 -30.08832      21.96593 
1 1 1 8  9  9  o 253.3490 20.24512 4.583748       0.7198357 4.446491       1.076103  4.694905       0.9683971 247.8846 31.37682 255.4967 27.19997 -7.612030      41.52522 
1 1 1 8  9  11 o 952.7025 14.79558 64.34183       1.994845  66.77766       2.533030  60.36406       3.236952  970.0800 18.45070 920.9312 24.85917 49.14880       30.95815 
1 1 1 8  9  13 o 397.0266 23.41092 11.24564       1.309561  11.78268       1.539986  9.842956       2.488803  405.8998 26.96167 366.0331 49.29739 39.86679       56.18865 
1 1 1 8  9  15 o 1670.181 23.36067 198.1638       5.521647  198.6443       6.598143  197.0408       10.08641  1670.806 27.90460 1657.137 43.04534 13.66895       51.29881 
1 1 1 8  9  17 o 1135.720 20.11554 91.46837       3.233127  87.40054       4.414349  96.17553       4.748589  1108.678 28.15742 1163.251 28.84506 -54.57275      40.30977 
1 1 1 8  9  19 o 1039.537 20.45392 76.62778       3.009099  73.35024       4.162374  80.21599       4.355188  1015.576 28.99036 1062.077 29.00266 -46.50128      41.00725 
1 1 1 8  9  21 o 785.3240 22.34792 43.82209       2.481212  47.84911       3.635487  40.31066       3.394794  819.0129 31.42379 751.5186 31.99253 67.49426       44.84391 
1 1 1 8  9  23 o 1019.522 22.71475 73.88077       3.277362  73.18369       4.679194  74.55206       4.591820  1011.755 32.72256 1021.469 31.80308 -9.713684      45.63115 
1 1 1 8  9  25 o 649.6492 36.02138 30.37012       3.298796  36.66624       5.184888  26.08822       4.275838  707.8083 52.12683 596.8535 51.11292 110.9548       73.00504 
1 1 1 8  9  27 f 737.2001 28.33518 38.97628       2.950678  39.38841       4.269195  38.59936       4.082820  735.6832 41.16908 728.9496 39.72717 6.733643       57.21137 
1 1 1 8  9  29 f 179.1182 67.42590 2.078988       2.324285  0.8033399E-01  3.396503  3.839248       3.187511  169.4531 74.22046 223.8726 79.80346 -54.41946      108.9829 
1 1 1 8  9  31 o 191.3644 67.96017 2.795015       2.309606  -0.2383364     3.276066  5.792374       3.256572  159.8165 71.29698 257.6937 80.49361 -97.87720      107.5290 
1 1 1 8  9  33 o 350.9914 66.53090 10.57329       3.183841  9.304079       4.594044  11.74627       4.416467  297.0513 95.94276 344.9477 89.65676 -47.89642      131.3139 
1 1 1 8  9  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  9  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  10 0  o 505.2559 16.84719 18.13642       1.201606  18.13642       1.201606  18.13642       1.201606  505.2559 16.84719 505.2559 16.84719 0.000000       0.000000 
1 1 1 8  10 2  o 370.9522 13.82296 9.759763       0.7243999 10.33297       1.029182  9.196960       1.019795  381.3114 19.13297 359.5972 20.11926 21.71420       27.76428 
1 1 1 8  10 4  o 555.6124 11.57378 21.85966       0.9100532 21.26917       1.264413  22.49433       1.310863  547.6207 16.33334 563.1753 16.46495 -15.55463      23.19208 
1 1 1 8  10 6  f 181.7654 25.38222 2.391947       0.6351410 1.711155       0.8704668 3.167074       0.9288200 152.0242 39.94651 208.4478 32.54914 -56.42360      51.52835 
1 1 1 8  10 8  o 480.7228 13.43079 16.38651       0.9128305 17.68209       1.383775  15.38838       1.214584  498.8038 19.64110 465.3969 18.47772 33.40695       26.96662 
1 1 1 8  10 10 o 322.0036 18.72886 7.383159       0.8497937 6.709185       1.187637  8.090246       1.216461  305.7008 27.75374 336.2260 25.76129 -30.52524      37.86706 
1 1 1 8  10 12 o 111.0574 43.98673 0.4910182      1.026708  0.6458299      1.202819  0.7539570E-01  1.970824  121.9118 47.81713 136.4238 58.11389 -14.51193      75.25757 
1 1 1 8  10 14 o 173.8501 50.85923 2.222551       1.330428  1.864667       1.523967  3.369238       2.727887  165.0593 55.35503 219.5788 74.06248 -54.51950      92.46313 
1 1 1 8  10 16 o 1077.968 21.61299 82.44197       3.297164  83.39929       3.870813  79.91096       6.293923  1083.689 25.23932 1056.572 42.17703 27.11682       49.15206 
1 1 1 8  10 18 o 1078.481 20.52225 82.47713       3.132257  77.80880       4.236924  88.10346       4.651391  1046.080 28.64672 1113.010 29.55619 -66.93030      41.16070 
1 1 1 8  10 20 o 287.8505 40.57331 6.036546       1.607033  6.307528       2.311678  5.783104       2.235606  290.5590 58.24765 277.8745 58.69238 12.68445       82.68968 
1 1 1 8  10 22 o 557.4537 26.83890 22.17252       2.111133  24.49076       3.151579  20.28557       2.843342  583.4931 38.37873 530.8796 38.09874 52.61353       54.07810 
1 1 1 8  10 24 o 134.1599 56.70309 0.1877390      1.851497  3.557580       2.738163  -2.650933      2.513113  222.3804 74.19270 120.2185 56.70836 102.1619       93.38305 
1 1 1 8  10 26 o 443.4987 39.10683 14.30888       2.429391  13.81797       3.513260  14.75869       3.363018  428.2393 59.58147 444.9074 54.55237 -16.66815      80.78313 
1 1 1 8  10 28 f 363.0416 48.25941 9.917667       2.418109  7.559255       3.461709  12.16503       3.379228  301.9892 79.80874 395.3432 62.47107 -93.35400      101.3512 
1 1 1 8  10 30 o 343.2324 59.35761 9.342508       2.778970  10.91105       3.541010  6.827323       4.483985  363.3057 71.41801 275.2020 94.90903 88.10370       118.7782 
1 1 1 8  10 32 f 252.2861 71.47307 5.578728       2.667537  4.550343       3.413890  7.190959       4.274498  227.0400 82.37865 270.6714 92.68994 -43.63139      124.0067 
1 1 1 8  10 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  10 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  11 1  o 536.4373 11.71351 20.37817       0.8892543 19.04903       1.240535  21.78302       1.275380  518.1533 16.94006 554.1817 16.27941 -36.02838      23.49436 
1 1 1 8  11 3  o 606.1929 11.34640 26.02251       0.9733942 24.84117       1.350874  27.29829       1.403828  591.8189 16.14403 620.4312 16.00159 -28.61224      22.73060 
1 1 1 8  11 5  f 629.7328 11.31069 28.08524       1.008011  28.21379       1.416305  27.95329       1.434963  630.7088 15.88011 627.7620 16.16544 2.946777       22.66052 
1 1 1 8  11 7  o 186.3756 25.41672 2.514925       0.6529410 2.062353       0.9127163 2.989321       0.9344640 166.4579 39.36665 201.9895 33.88903 -35.53168      51.94420 
1 1 1 8  11 9  o 144.1012 35.87008 1.543774       0.7286289 1.200520       0.9895790 1.950213       1.076813  133.0283 44.60605 162.2112 45.21928 -29.18298      63.51758 
1 1 1 8  11 11 o 705.8133 14.07935 35.31357       1.406346  35.28765       2.127014  35.33369       1.874567  704.4207 21.36095 705.2764 18.79790 -0.8557129     28.45437 
1 1 1 8  11 13 o 501.5898 18.02856 17.87166       1.277681  16.88755       1.545274  19.99840       2.271637  487.0360 22.48007 528.8114 30.48335 -41.77539      37.87596 
1 1 1 8  11 15 o 368.1814 28.90837 9.698159       1.494206  11.81999       1.772246  4.482030       2.778706  406.3810 31.05076 246.1021 73.88670 160.2789       80.14609 
1 1 1 8  11 17 o 571.3823 18.93707 23.16901       1.529181  22.51496       1.889186  24.41183       2.604172  562.7750 23.77385 585.0438 31.56990 -22.26886      39.52031 
1 1 1 8  11 19 o 568.4797 24.75088 22.99374       1.986476  22.40301       2.799950  23.59242       2.818747  559.4773 35.54673 574.3187 34.84428 -14.84143      49.77644 
1 1 1 8  11 21 o 750.1577 23.04350 40.02820       2.443461  39.29878       3.454941  40.75816       3.456211  741.2498 33.01776 755.0570 32.42006 -13.80719      46.27345 
1 1 1 8  11 23 o 204.3876 57.56169 3.137434       1.735445  3.242338       2.497634  3.039507       2.413126  213.0306 70.85376 207.3857 69.65723 5.644974       99.35988 
1 1 1 8  11 25 o 554.1683 31.82924 22.07463       2.485748  27.36044       3.761571  17.97692       3.311954  613.1464 43.63477 494.9042 47.88466 118.2422       64.78375 
1 1 1 8  11 27 o 577.6992 33.04637 24.16534       2.690480  20.47124       3.727594  28.18265       3.887250  523.3359 50.97545 618.3330 44.72448 -94.99713      67.81427 
1 1 1 8  11 29 o 264.2519 68.72705 5.748846       2.594048  11.73433       4.450198  2.668442       3.192519  366.6539 87.06779 200.7609 78.14584 165.8931       116.9939 
1 1 1 8  11 31 o 409.0615 53.43934 13.15893       3.019741  14.94900       3.976384  10.71998       4.641458  423.4135 68.71298 333.6584 94.19437 89.75500       116.5935 
1 1 1 8  11 33 o 370.8289 65.64751 11.99107       3.319121  15.00480       4.808259  9.247824       4.587417  384.2770 90.00433 287.4241 96.03480 96.85297       131.6186 
1 1 1 8  11 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  12 0  o 1285.190 16.32889 117.0391       2.968833  117.0391       2.968833  117.0391       2.968833  1285.190 16.32889 1285.190 16.32889 0.000000       0.000000 
1 1 1 8  12 2  o 586.4284 11.75744 24.35804       0.9757705 24.80574       1.376550  23.90588       1.383371  591.2892 16.46627 580.4189 16.85924 10.87030       23.56633 
1 1 1 8  12 4  o 1335.278 11.72200 126.2928       2.215099  125.9632       3.129581  126.6236       3.135674  1332.849 16.59150 1336.340 16.58037 -3.491333      23.45605 
1 1 1 8  12 6  o 924.7918 11.09713 60.57750       1.452361  60.35134       2.026652  60.81626       2.082379  922.6238 15.52153 926.1276 15.88800 -3.503784      22.21140 
1 1 1 8  12 8  f 938.7949 12.76298 62.45444       1.695675  62.99318       2.381217  61.90020       2.415238  942.1792 17.85852 933.9071 18.27412 8.272095       25.55132 
1 1 1 8  12 10 o 560.9043 13.39705 22.29863       1.063452  22.30086       1.588147  22.29681       1.431862  560.0074 20.07151 560.2161 18.08402 -0.2086792     27.01661 
1 1 1 8  12 12 o 428.0706 22.17693 13.05260       1.338916  13.70036       1.544406  11.09269       2.686413  438.2068 25.00745 389.0396 49.94387 49.16721       55.85484 
1 1 1 8  12 14 o 1120.145 20.67580 89.01878       3.277603  90.48022       3.815699  84.90551       6.401422  1128.806 23.88553 1088.832 41.61942 39.97400       47.98640 
1 1 1 8  12 16 f 168.6867 52.50017 2.031703       1.386697  1.699262       1.567973  3.225219       2.970950  161.7405 56.10670 221.1933 77.20089 -59.45276      95.43552 
1 1 1 8  12 18 o 512.5841 25.19806 18.70434       1.822296  18.17403       2.590914  19.22350       2.563535  503.5535 36.60697 518.2099 35.16364 -14.65643      50.75974 
1 1 1 8  12 20 o 559.0244 25.44317 22.27027       2.007621  21.46352       2.871021  23.04222       2.808425  546.5497 37.34252 566.8532 35.18182 -20.30347      51.30521 
1 1 1 8  12 22 f 342.1790 39.09674 8.509382       1.859334  5.525907       2.640287  11.44457       2.618835  268.4252 69.09657 395.2184 47.79161 -126.7932      84.01413 
1 1 1 8  12 24 o 617.1100 29.25036 27.27794       2.547274  30.16704       3.678025  24.61483       3.531237  645.5472 40.46286 581.9460 43.18476 63.60120       59.17910 
1 1 1 8  12 26 o 243.9236 63.04684 4.650905       2.192095  6.358676       3.220317  3.176317       2.992396  281.0225 78.14698 213.3832 77.16731 67.63931       109.8260 
1 1 1 8  12 28 o 554.7760 34.77489 22.50922       2.716522  24.66405       4.004303  20.67195       3.697497  571.1729 50.04319 522.1859 50.66990 48.98700       71.21629 
1 1 1 8  12 30 o 319.6892 64.56270 8.403343       2.820275  3.898802       3.650141  15.07591       4.442535  221.1449 84.21012 418.9203 77.79744 -197.7754      114.6464 
1 1 1 8  12 32 o 271.0613 81.11675 7.074923       3.353201  14.75600       5.215482  1.662621       4.377985  375.2076 97.38409 188.7917 83.41753 186.4159       128.2269 
1 1 1 8  12 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  12 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  13 1  o 198.8020 24.29146 2.850920       0.6692517 2.704979       0.9577072 2.990204       0.9356095 191.3752 36.69604 201.9742 33.93465 -10.59900      49.98160 
1 1 1 8  13 3  o 208.8513 23.08629 3.137310       0.6709794 2.481211       0.9350731 3.833728       0.9633759 182.9654 37.37687 229.9532 30.34278 -46.98788      48.14265 
1 1 1 8  13 5  o 589.2231 13.49307 24.60607       1.125150  24.10688       1.541192  25.17575       1.646420  582.4886 18.72034 595.1630 19.57384 -12.67438      27.08480 
1 1 1 8  13 7  o 851.9557 12.91779 51.43832       1.557489  49.21644       2.164335  53.82468       2.243017  832.7042 18.36597 870.8400 18.20013 -38.13580      25.85640 
1 1 1 8  13 9  o 384.3450 16.35035 10.49746       0.8873086 10.78079       1.325345  10.26731       1.194515  388.5327 24.22410 379.3954 22.34639 9.137329       32.95707 
1 1 1 8  13 11 o 137.9099 39.95265 1.391706       0.8245884 0.7781461      1.267887  1.841460       1.085524  127.7978 49.38371 158.2790 45.83624 -30.48121      67.37738 
1 1 1 8  13 13 o 828.3303 15.75505 48.62661       1.846899  48.88306       2.272540  48.12771       3.169668  830.1837 19.34272 822.3466 27.27347 7.837097       33.43625 
1 1 1 8  13 15 o 297.3417 35.58759 6.386177       1.467817  6.486974       1.651268  6.006648       3.204174  298.9174 40.04045 282.3533 77.73458 16.56406       87.44085 
1 1 1 8  13 17 o 1254.030 17.16211 111.4641       3.045779  109.6883       3.796995  114.6690       5.100821  1243.394 21.57801 1270.084 28.37840 -26.68921      35.65030 
1 1 1 8  13 19 o 581.0866 25.00833 24.05017       2.051764  21.90183       2.902094  26.19714       2.901172  552.2091 37.35526 604.8773 34.02837 -52.66815      50.53063 
1 1 1 8  13 21 o 864.2101 22.72034 53.13982       2.776369  55.28580       3.963229  51.07185       3.890538  879.1707 31.90635 844.7549 32.60433 34.41577       45.61861 
1 1 1 8  13 23 o 256.2008 53.78109 4.963905       1.887750  5.306207       2.631126  4.600777       2.709985  261.9936 69.73646 245.1873 72.81446 16.80626       100.8222 
1 1 1 8  13 25 o 426.7413 39.59901 13.30229       2.364211  11.51837       3.278607  15.23479       3.412405  388.2561 61.73386 450.9274 54.58257 -62.67136      82.40344 
1 1 1 8  13 27 o 262.4165 68.91901 5.599248       2.591876  5.750592       3.291466  5.352232       4.205036  262.5229 80.74614 255.9439 91.61248 6.579041       122.1179 
1 1 1 8  13 29 o 189.6584 70.99356 2.594048       2.569052  5.836755       3.329060  -2.180393      4.039514  258.2036 81.48818 157.6128 73.55994 100.5908       109.7788 
1 1 1 8  13 31 o 212.0622 72.51067 3.907852       2.615694  3.791811       3.282711  4.109648       4.328960  211.0085 79.97408 220.2795 89.26052 -9.270950      119.8470 
1 1 1 8  13 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  13 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  14 0  o 330.7264 23.18353 7.871772       1.072628  7.871772       1.072628  7.871772       1.072628  330.7264 23.18353 330.7264 23.18353 0.000000       0.000000 
1 1 1 8  14 2  o 816.1565 11.30511 47.18979       1.305774  46.82390       1.815687  47.58173       1.879238  812.5320 15.78995 819.0299 16.21296 -6.497925      22.63145 
1 1 1 8  14 4  o 378.7989 16.87760 10.20025       0.9025002 10.26833       1.271046  10.13104       1.281677  379.2048 23.80478 376.5975 24.17582 2.607300       33.92842 
1 1 1 8  14 6  o 602.8419 13.35053 25.75912       1.138995  25.91222       1.591642  25.59842       1.630628  603.8612 18.64702 600.1102 19.22493 3.751038       26.78263 
1 1 1 8  14 8  o 273.9260 20.37218 5.358947       0.7840974 5.777731       1.165156  5.012315       1.060044  283.1176 29.51303 263.5960 28.88884 19.52164       41.29871 
1 1 1 8  14 10 o 338.4448 19.55882 8.156711       0.9328164 7.553935       1.383022  8.659781       1.263473  324.1370 30.50830 347.9673 25.84156 -23.83026      39.98177 
1 1 1 8  14 12 o 244.5294 31.30517 4.325281       1.058529  2.810492       1.237154  8.464375       2.045033  194.1933 45.77001 341.2175 43.32502 -147.0242      63.02341 
1 1 1 8  14 14 o 542.8856 24.17821 20.96209       1.852940  18.83401       2.036715  31.18346       4.463669  514.0538 28.10328 657.9946 48.27060 -143.9408      55.85557 
1 1 1 8  14 16 o 232.1924 48.49717 4.006375       1.542131  4.118233       1.731400  3.577022       3.392119  234.8069 53.32391 233.4841 82.41354 1.322708       98.16022 
1 1 1 8  14 18 o 347.8683 26.94837 8.660423       1.316345  10.38642       1.660247  5.738802       2.160056  380.4969 31.10316 276.5956 57.07627 103.9013       65.00082 
1 1 1 8  14 20 o 643.3969 24.93344 29.50566       2.265990  30.60533       3.296213  28.52028       3.120213  652.8107 35.81585 630.2956 35.11889 22.51514       50.16086 
1 1 1 8  14 22 o 580.9401 28.52543 24.15400       2.338048  24.51784       3.323360  23.79745       3.289891  581.9721 40.60583 573.2510 40.81950 8.721069       57.57661 
1 1 1 8  14 24 f 748.2923 27.43156 40.11152       2.900053  40.11956       4.107737  40.10352       4.094883  743.6828 39.16777 743.5886 39.04934 0.9417725E-01  55.30792 
1 1 1 8  14 26 o 330.8416 59.11747 8.527116       2.666343  8.629535       3.427013  8.370023       4.244295  323.9525 76.05940 311.4042 90.76685 12.54834       118.4215 
1 1 1 8  14 28 o 556.4853 39.81778 23.02624       3.115093  20.18811       3.923942  27.86344       5.122753  509.6999 55.28284 593.0146 61.95344 -83.31473      83.03265 
1 1 1 8  14 30 o 297.2270 64.33807 7.435875       2.627676  7.734883       3.398154  6.991194       4.144064  290.6665 80.06472 267.7748 91.27539 22.89175       121.4148 
1 1 1 8  14 32 o 224.1940 79.10661 4.978367       3.125143  8.092604       4.698957  2.508329       4.184827  262.0856 96.40254 189.9102 82.79873 72.17534       127.0790 
1 1 1 8  14 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  15 1  o 262.1654 19.66490 4.908757       0.7242865 4.405704       1.009747  5.441884       1.039492  246.7767 29.49615 275.0460 27.05503 -28.26927      40.02496 
1 1 1 8  15 3  o 575.4359 13.96500 23.47486       1.137254  23.49937       1.630178  23.45163       1.587320  574.8133 20.07036 574.3019 19.55864 0.5114136      28.02427 
1 1 1 8  15 5  o 906.3153 12.88150 58.21561       1.652211  56.00887       2.281522  60.64900       2.395827  888.2766 18.14916 924.3129 18.31540 -36.03638      25.78461 
1 1 1 8  15 7  o 307.7473 18.66166 6.746870       0.8089440 5.272230       1.154048  8.171345       1.134248  270.1308 30.73354 338.1375 23.85567 -68.00671      38.90557 
1 1 1 8  15 9  o 806.1497 12.53709 46.04025       1.430317  46.85870       2.136456  45.37545       1.925501  812.7064 18.57549 799.9089 17.00918 12.79749       25.18653 
1 1 1 8  15 11 o 608.5942 15.04863 26.24567       1.296118  26.31166       1.947904  26.19325       1.736272  608.3979 22.66313 607.3067 20.23003 1.091187       30.37880 
1 1 1 8  15 13 o 898.4367 20.89389 57.25445       2.656603  59.40562       3.036853  50.24178       5.483118  914.5720 23.48256 836.4124 46.50509 78.15967       52.09755 
1 1 1 8  15 15 o 737.1941 22.10247 38.59886       2.303307  39.71560       2.599628  34.52099       4.967678  747.4605 24.60909 691.4211 51.12987 56.03937       56.74391 
1 1 1 8  15 17 o 741.2336 17.81683 38.97064       1.868983  39.19373       2.285768  38.52060       3.246450  742.5998 21.77342 734.4631 31.30518 8.136658       38.13261 
1 1 1 8  15 19 o 514.2255 22.28591 18.83334       1.617973  17.25468       1.962935  22.17889       2.857559  491.1504 28.36107 555.2076 36.57170 -64.05728      46.28001 
1 1 1 8  15 21 o 672.0089 25.98092 32.24046       2.466212  36.23832       3.564142  28.56789       3.416069  709.8218 35.59376 629.1248 38.55322 80.69702       52.47157 
1 1 1 8  15 23 o 452.7829 34.81596 14.83729       2.213823  12.92068       3.080910  16.88332       3.183234  415.9719 53.57832 478.7270 47.61578 -62.75513      71.67914 
1 1 1 8  15 25 f 483.0512 41.09320 17.19199       2.782560  18.26224       3.583534  15.56688       4.415808  492.1353 52.25010 441.3528 73.26541 50.78247       89.98830 
1 1 1 8  15 27 o 426.0977 48.10166 13.82117       2.849965  10.68103       3.554369  19.47486       4.769294  358.4270 72.56393 487.9877 71.15285 -129.5606      101.6280 
1 1 1 8  15 29 o 156.3150 65.87202 0.9373927      2.486743  0.9497551      3.046018  0.9126869      4.306056  167.2216 71.76388 186.7562 82.61388 -19.53452      109.4308 
1 1 1 8  15 31 o 163.2811 70.37244 1.271926       2.952901  1.542504       4.433776  1.056240       3.958574  184.0016 82.45270 174.1274 77.97742 9.874207       113.4854 
1 1 1 8  15 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  15 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  16 0  o 304.3289 25.88736 6.715123       1.095656  6.715123       1.095656  6.715123       1.095656  304.3289 25.88736 304.3289 25.88736 0.000000       0.000000 
1 1 1 8  16 2  o 265.5281 22.75899 5.049744       0.8469904 5.073699       1.186374  5.024841       1.209615  264.5512 32.36074 263.0858 33.22834 1.465454       46.38254 
1 1 1 8  16 4  o 78.86962 34.84274 -0.2335435     0.7635051 0.5100424      1.039396  -1.104999      1.125222  112.0682 44.29849 82.48000 38.60189 29.58817       58.75766 
1 1 1 8  16 6  o 461.8868 14.80449 15.13882       0.9664681 13.13764       1.371977  17.11004       1.361666  429.3852 22.65791 490.5602 19.65344 -61.17496      29.99397 
1 1 1 8  16 8  o 696.0038 12.67415 34.31692       1.248390  33.36046       1.820530  35.16586       1.715159  685.5135 18.78328 704.2216 17.20978 -18.70813      25.47524 
1 1 1 8  16 10 o 481.0699 16.20392 16.42068       1.101609  18.96313       1.678682  14.49763       1.459943  516.3353 23.03091 451.3407 22.93174 64.99460       32.50058 
1 1 1 8  16 12 f 743.7384 20.63816 39.26416       2.170156  38.59420       2.403497  42.22067       5.049024  737.0714 23.07009 766.3915 46.77460 -29.32019      52.15450 
1 1 1 8  16 14 o 125.4657 51.38933 0.4055541      1.453467  0.4055541      1.453467  0.000000       0.000000  125.4657 51.38933 ?        ?        ?              ?        
1 1 1 8  16 16 o 375.0338 25.69302 10.04922       1.355420  9.921515       1.591397  10.38661       2.586669  371.8972 30.50466 376.4832 49.76610 -4.585999      58.37122 
1 1 1 8  16 18 o 320.9690 29.45968 7.410413       1.323257  6.462884       1.543131  10.04293       2.572126  297.9917 37.41398 369.0804 50.57232 -71.08871      62.90759 
1 1 1 8  16 20 o 167.8063 59.36934 1.841509       1.761169  1.407030       2.454429  2.302630       2.528563  173.1260 68.18445 192.2484 70.71668 -19.12247      98.23425 
1 1 1 8  16 22 o 473.1023 37.51348 16.24190       2.491121  14.53470       3.207067  18.83880       3.955435  442.2104 52.25413 502.1781 56.64381 -59.96768      77.06500 
1 1 1 8  16 24 o 254.2997 67.99557 5.165523       2.494361  5.264823       3.316976  5.036282       3.784125  255.2327 81.43559 252.1856 87.17847 3.047134       119.2973 
1 1 1 8  16 26 o 465.6074 43.31949 16.24864       2.821708  16.07033       3.541090  16.55880       4.670304  454.6266 56.23576 445.2997 76.88793 9.326874       95.25867 
1 1 1 8  16 28 o 324.4242 59.76408 8.557352       2.642858  6.003433       3.273394  13.33923       4.479131  258.1792 80.70966 383.7762 84.73822 -125.5970      117.0240 
1 1 1 8  16 30 o 172.5329 68.88501 2.138495       2.537559  0.7971609      3.258964  4.203985       4.044106  163.2474 72.05810 214.1090 86.44872 -50.86163      112.5422 
1 1 1 8  16 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  16 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  17 1  o 88.76431 39.10875 -0.2645458     0.9558138 0.4718269      1.323997  -1.066004      1.381271  121.9037 49.37612 95.31567 43.97355 26.58801       66.11864 
1 1 1 8  17 3  o 111.4441 40.28010 0.7428506      0.8151882 1.100882       1.122215  0.3428684      1.186140  132.9432 47.35565 113.5560 46.45726 19.38724       66.33879 
1 1 1 8  17 5  f 788.4611 11.96930 44.03642       1.335577  42.37273       1.850104  45.84692       1.930009  773.0146 16.91176 804.0756 16.96066 -31.06104      23.95144 
1 1 1 8  17 7  o 664.8074 12.83256 31.30796       1.207339  31.94599       1.798938  30.78502       1.628610  670.8489 18.96740 658.6943 17.48629 12.15460       25.79792 
1 1 1 8  17 9  o 164.9760 36.16154 2.015786       0.8209368 0.3421405      1.154012  3.730473       1.168076  112.4982 45.90009 225.6487 37.92154 -113.1506      59.53874 
1 1 1 8  17 11 o 388.2772 16.79389 10.70492       0.9206294 10.84250       1.395330  10.59886       1.225142  389.9023 25.42594 385.8070 22.53676 4.095276       33.97622 
1 1 1 8  17 13 o 164.9160 51.74240 1.940296       1.344121  1.957246       1.475408  1.857568       3.259492  167.3385 54.39721 200.5215 78.69570 -33.18303      95.66645 
1 1 1 8  17 15 o 227.8040 46.75049 3.868113       1.456631  4.767099       1.604306  -0.3516696     3.475807  253.5804 46.41443 173.5349 75.56223 80.04547       88.67891 
1 1 1 8  17 17 o 192.1109 45.76272 2.769208       1.226344  2.931724       1.433454  2.325526       2.368488  197.3772 50.96618 190.5742 68.68833 6.802948       85.53150 
1 1 1 8  17 19 o 618.3004 21.54671 27.22507       1.882505  27.47065       2.273949  26.69016       3.355986  620.1952 25.96536 607.7213 39.23037 12.47394       47.04489 
1 1 1 8  17 21 o 390.3011 44.38090 11.20330       2.407923  6.379929       2.979340  20.28809       4.088857  284.5230 73.48093 521.4839 56.29513 -236.9609      92.56667 
1 1 1 8  17 23 o 111.3966 53.01291 -2.629982      2.291353  -2.633097      2.915925  -2.624955      3.704860  130.6587 61.46335 151.5033 70.62160 -20.84457      93.62241 
1 1 1 8  17 25 o 284.4519 62.44007 6.524394       2.444502  3.936062       3.006534  11.57288       4.198912  221.8765 77.64643 366.3968 82.91880 -144.5203      113.5980 
1 1 1 8  17 27 o 237.7651 69.97806 4.832147       2.512207  6.511253       3.192003  2.099303       4.072222  270.3112 78.69345 198.0866 83.92471 72.22464       115.0479 
1 1 1 8  17 29 o 134.3367 60.77960 -0.4134940     2.476067  0.5218818      3.085882  -2.104267      4.148861  158.2144 69.96466 153.0775 72.40508 5.136902       100.6854 
1 1 1 8  17 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  17 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  18 0  o 66.26849 45.71363 -1.088318      1.432720  -1.088318      1.432720  -1.088318      1.432720  66.26849 45.71363 66.26849 45.71363 0.000000       0.000000 
1 1 1 8  18 2  o 370.9628 19.65908 9.791121       1.028395  9.215980       1.451515  10.37081       1.457242  358.7100 28.83564 380.8914 27.21332 -22.18140      39.64920 
1 1 1 8  18 4  o 448.9854 14.91472 14.30128       0.9463764 15.10659       1.330500  13.47662       1.346398  460.9573 20.44638 435.1660 21.93317 25.79135       29.98530 
1 1 1 8  18 6  o 439.2711 18.74571 13.70859       1.162665  14.19442       2.281695  13.53820       1.351255  444.5602 36.59025 436.2020 21.95983 8.358215       42.67412 
1 1 1 8  18 8  o 279.6644 21.34630 5.581267       0.8384660 4.566462       1.185481  6.597064       1.186059  250.8941 34.28337 303.3722 27.93916 -52.47810      44.22608 
1 1 1 8  18 10 o 578.2623 16.86342 23.72179       1.378562  25.06425       2.111521  22.72447       1.819969  593.4995 25.19674 565.3622 22.79337 28.13721       33.97667 
1 1 1 8  18 12 o 754.4557 20.89893 40.42846       2.229251  40.13586       2.449477  41.83967       5.379411  751.4120 23.06162 760.8176 50.24262 -9.405579      55.28254 
1 1 1 8  18 14 o 188.1891 51.92717 2.642832       1.427994  2.990210       1.540317  0.5182434      3.809311  199.6972 53.44901 191.7893 81.20962 7.907944       97.22036 
1 1 1 8  18 16 o 346.8502 27.03831 8.626650       1.316736  8.939021       1.558753  7.848413       2.460356  352.2779 31.60138 323.8253 55.69453 28.45267       64.03536 
1 1 1 8  18 18 o 421.1357 28.08796 12.71858       1.664456  12.13865       1.862257  15.02173       3.711189  410.4897 32.31707 448.0566 60.03711 -37.56689      68.18246 
1 1 1 8  18 20 o 225.0467 51.07887 3.853033       1.589428  3.470322       1.780425  5.355191       3.527329  212.8963 57.67503 262.1969 84.01196 -49.30064      101.9040 
1 1 1 8  18 22 o 457.8824 40.88903 15.41372       2.621749  13.22704       3.294833  19.18794       4.328669  416.3805 57.44320 499.5293 62.60234 -83.14883      84.96337 
1 1 1 8  18 24 o 189.5813 68.35247 2.631270       2.345609  1.490334       2.959353  4.559250       3.846957  177.8333 73.13657 237.5944 87.25436 -59.76117      113.8520 
1 1 1 8  18 26 o 113.8649 53.79090 -2.037252      2.276631  -1.410494      2.945942  -2.966588      3.587241  138.5652 64.03053 140.4726 66.70111 -1.907440      92.46051 
1 1 1 8  18 28 o 258.4951 69.14870 5.944455       2.578959  4.087687       3.023097  10.90787       4.942691  213.7630 77.52623 317.1622 99.18052 -103.3992      125.8852 
1 1 1 8  18 30 o 184.9317 73.00319 3.029799       2.819443  6.268402       4.153841  0.2631017      3.839299  233.3604 89.59175 160.6276 73.81688 72.73285       116.0845 
1 1 1 8  18 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  19 1  f 217.5294 32.36020 3.442606       0.9659134 4.115175       1.370561  2.778901       1.361500  236.3145 42.54597 193.0457 49.57928 43.26881       65.33195 
1 1 1 8  19 3  o 486.2610 16.92476 16.78134       1.162918  16.86291       1.660607  16.70284       1.629076  486.6891 24.18567 484.4103 23.83658 2.278839       33.95776 
1 1 1 8  19 5  o 709.7839 15.53036 35.70084       1.560011  36.86446       2.423333  34.87737       2.038592  720.1576 23.81021 700.8635 20.57536 19.29413       31.46858 
1 1 1 8  19 7  o 737.4553 15.13079 38.53585       1.579127  37.30880       2.344011  39.55552       2.136792  724.6141 22.88643 746.4665 20.24572 -21.85242      30.55615 
1 1 1 8  19 9  o 357.1289 21.50931 9.084283       1.082066  9.250322       1.578606  8.937128       1.486122  359.0819 31.37918 353.1123 30.02309 5.969604       43.42855 
1 1 1 8  19 11 o 270.2002 23.12682 5.224550       0.8758484 5.545403       1.303471  4.960442       1.182604  276.7097 33.99951 261.7381 32.63353 14.97165       47.12658 
1 1 1 8  19 13 o 181.7453 51.88999 2.455393       1.400596  2.504175       1.527560  2.197997       3.508919  184.1509 54.66300 208.9698 81.75769 -24.81895      98.34818 
1 1 1 8  19 15 o 308.7344 29.49854 6.866734       1.273206  8.072283       1.520028  4.032137       2.330799  334.3683 32.53316 230.6067 67.27641 103.7616       74.72965 
1 1 1 8  19 17 o 187.8575 50.72391 2.661017       1.379851  1.949645       1.537660  5.602835       3.126942  166.7217 55.59775 268.2310 77.82920 -101.5093      95.64776 
1 1 1 8  19 19 o 355.9724 34.92194 9.207122       1.736662  8.570466       1.944126  11.72162       3.863650  341.6191 41.03297 387.1566 73.19760 -45.53748      83.91420 
1 1 1 8  19 21 o 292.1238 43.34375 6.374831       1.737640  5.402238       1.953968  10.05208       3.799384  264.8017 53.97382 351.1714 78.43231 -86.36969      95.20924 
1 1 1 8  19 23 o 213.8574 69.37727 3.671469       2.400586  4.359719       3.042178  2.535666       3.908075  230.7283 78.21110 207.2300 84.49918 23.49825       115.1394 
1 1 1 8  19 25 o 120.4334 56.21088 -1.631954      2.359294  -2.195180      2.985383  -0.6950627     3.850379  132.2860 62.21706 164.9438 75.08615 -32.65785      97.51355 
1 1 1 8  19 27 o 129.8956 58.86225 -0.5362561     2.333202  -1.034126      2.986501  0.2436118      3.737794  140.2122 64.67681 167.2276 75.25743 -27.01543      99.23090 
1 1 1 8  19 29 o 328.3862 63.44102 9.633928       2.841598  6.307793       3.912611  13.34668       4.133753  236.3175 87.77876 362.2629 82.48528 -125.9453      120.4530 
1 1 1 8  19 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  20 0  o 322.3432 29.17554 7.550073       1.304606  7.550073       1.304606  7.550073       1.304606  322.3432 29.17554 322.3432 29.17554 0.000000       0.000000 
1 1 1 8  20 2  o 537.7404 16.67893 20.51651       1.267755  19.28533       1.783712  21.77331       1.802182  520.5417 24.27993 553.3184 23.06520 -32.77661      33.48908 
1 1 1 8  20 4  o 770.8928 15.89251 42.11835       1.733829  41.19480       2.674563  42.78780       2.277118  761.1146 24.86372 776.2845 20.74600 -15.16998      32.38211 
1 1 1 8  20 6  o 491.5657 17.94488 17.15719       1.246271  16.07950       1.857018  18.04033       1.681074  474.6952 27.76396 503.4500 23.66069 -28.75476      36.47829 
1 1 1 8  20 8  o 501.3832 18.73562 17.85836       1.327068  16.50788       1.996079  18.92812       1.776558  480.5943 29.49005 515.5089 24.42080 -34.91458      38.28889 
1 1 1 8  20 10 o 447.6876 17.05746 14.23745       1.078733  15.12884       1.614741  13.51898       1.449689  460.5259 24.86813 435.4397 23.61320 25.08621       34.29296 
1 1 1 8  20 12 o 394.5175 25.47643 11.12966       1.414805  10.81191       1.498373  13.74228       4.296481  388.4963 27.42926 423.9769 74.31384 -35.48056      79.21434 
1 1 1 8  20 14 o 425.7193 24.36362 12.95025       1.461731  13.20598       1.601605  11.67501       3.576492  429.5416 26.47562 391.8907 66.88567 37.65094       71.93504 
1 1 1 8  20 16 o 317.9761 33.54248 7.332444       1.486701  7.626800       1.661492  6.150110       3.329903  323.5475 36.94769 279.5960 80.06855 43.95148       88.18222 
1 1 1 8  20 18 o 230.9790 48.58110 4.044387       1.537608  3.803243       1.712564  5.047003       3.492010  222.6108 54.74680 255.0733 83.73611 -32.46248      100.0447 
1 1 1 8  20 20 o 102.7530 47.53964 -1.202868      1.631183  -2.398825      1.811082  3.935772       3.754087  96.34925 46.19852 232.6259 86.06091 -136.2767      97.67694 
1 1 1 8  20 22 o 140.5644 55.73285 0.9908096      1.649903  1.613571       1.844266  -1.505399      3.692353  159.1168 60.02527 157.3871 72.35069 1.729706       94.00880 
1 1 1 8  20 24 o 122.4994 56.82451 -1.413396      2.353611  -0.8841317     3.014777  -2.239408      3.766279  145.4644 66.30460 149.8180 70.27916 -4.353622      96.62018 
1 1 1 8  20 26 f 110.6450 52.52184 -2.023082      2.220849  -2.939051      2.789421  -0.4371969     3.670367  118.8278 57.07038 159.5834 72.90054 -40.75555      92.58249 
1 1 1 8  20 28 o 257.7368 68.85249 6.272864       2.559057  6.914881       3.275558  5.267142       4.099689  256.9539 80.79539 219.3674 87.56618 37.58650       119.1458 
1 1 1 8  20 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  20 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  21 1  o 596.8521 15.29184 25.26501       1.290590  25.31064       1.832079  25.22007       1.818339  596.6955 21.73190 595.6414 21.60680 1.054138       30.64522 
1 1 1 8  21 3  o 431.2180 17.41489 13.20800       1.060579  11.98470       1.472480  14.52680       1.528881  409.8007 25.51626 451.5258 24.01241 -41.72516      35.03820 
1 1 1 8  21 5  o 519.0998 18.21111 19.13925       1.335777  17.84346       1.996743  20.18891       1.797132  499.8364 28.34380 532.4516 23.91054 -32.61520      37.08214 
1 1 1 8  21 7  o 202.2842 35.43971 3.009040       0.9775901 1.876142       1.449982  3.953165       1.323677  164.0039 53.96420 231.2198 41.99817 -67.21596      68.38114 
1 1 1 8  21 9  o 79.11118 36.35355 -0.6794629     0.9309839 -1.194599      1.322114  -0.1728167     1.311174  90.67588 42.24086 107.1982 46.54605 -16.52230      62.85559 
1 1 1 8  21 11 o 242.2264 25.63301 4.226808       0.8653840 5.360899       1.321946  3.376354       1.144763  271.2529 35.27101 213.4381 39.34799 57.81482       52.84230 
1 1 1 8  21 13 o 222.5565 40.37599 3.676632       1.224877  3.676632       1.224877  0.000000       0.000000  222.5565 40.37599 ?        ?        ?              ?        
1 1 1 8  21 15 o 323.0670 30.53126 7.541464       1.379351  7.989728       1.515278  5.373838       3.332095  332.1287 32.65984 262.5472 81.32847 69.58151       87.64123 
1 1 1 8  21 17 o 183.6566 53.76698 2.551286       1.486438  2.092087       1.638335  4.688877       3.534799  171.2345 57.39417 247.6191 84.30106 -76.38458      101.9841 
1 1 1 8  21 19 o 254.2237 46.93987 4.913709       1.626600  5.177746       1.814875  3.835532       3.667402  259.5886 51.22142 229.3385 85.02167 30.25008       99.25884 
1 1 1 8  21 21 f 112.2651 50.43346 -0.5516658     1.670326  0.6483050      1.812738  -7.301069      4.299148  137.5522 56.97052 132.4943 65.20341 5.057861       86.58594 
1 1 1 8  21 23 o 153.3452 64.07762 0.9420946      2.322634  3.739425       3.070796  -2.797668      3.550596  213.1879 78.01136 140.5454 66.62605 72.64252       102.5905 
1 1 1 8  21 25 o 152.8421 63.87344 1.099922       2.308181  -1.917436      2.981514  5.613337       3.646499  131.8438 62.06120 240.9280 85.40994 -109.0842      105.5768 
1 1 1 8  21 27 o 178.1979 67.76523 2.751837       2.361737  1.681516       3.028616  4.412622       3.772626  166.1158 71.42790 208.0158 83.66986 -41.90001      110.0118 
1 1 1 8  21 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  21 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  22 0  o 422.3246 26.72202 12.80973       1.582274  12.80973       1.582274  12.80973       1.582274  422.3246 26.72202 422.3246 26.72202 0.000000       0.000000 
1 1 1 8  22 2  o 347.5192 22.10057 8.616261       1.081300  8.714192       1.593968  8.532778       1.471716  347.8094 32.76928 344.5496 30.49691 3.259796       44.76480 
1 1 1 8  22 4  o 210.5226 33.85808 3.246539       0.9745448 3.019068       1.452574  3.432741       1.314218  200.3664 51.07982 214.4453 44.75303 -14.07889      67.91158 
1 1 1 8  22 6  f 305.9205 27.27311 6.722884       1.168396  8.085231       1.731179  5.583178       1.583413  333.7415 37.28973 275.5381 41.92657 58.20343       56.11026 
1 1 1 8  22 8  o 113.2833 44.31530 0.5699418      1.030804  0.1551660      1.522950  0.9206073      1.400314  121.9374 51.47630 135.2630 51.99564 -13.32557      73.16663 
1 1 1 8  22 10 o 128.1959 42.21648 1.139664       0.8873244 0.7112857      1.328969  1.484245       1.191921  127.5028 50.18596 146.5211 48.95167 -19.01826      70.10632 
1 1 1 8  22 12 f 287.1027 29.86805 5.959868       1.195848  5.983709       1.280160  5.796550       3.350585  287.2253 32.03844 272.0187 81.00930 15.20654       87.11469 
1 1 1 8  22 14 o 232.7845 36.13332 3.993090       1.151795  3.444860       1.223774  8.246528       3.408711  214.5036 41.81619 322.4263 75.96064 -107.9227      86.70994 
1 1 1 8  22 16 o 310.8286 32.00587 7.026488       1.387794  6.537588       1.484610  10.41242       3.906982  298.6739 35.83821 359.0363 79.03725 -60.36246      86.78285 
1 1 1 8  22 18 o 114.1274 49.05478 0.2745862E-01  1.427437  0.2304252      1.563477  -0.9889492     3.498753  122.9527 52.04300 160.2989 72.41407 -37.34621      89.17551 
1 1 1 8  22 20 o 209.1841 54.13936 3.486110       1.614995  2.115175       1.800499  9.129687       3.653101  170.0963 60.04230 324.1231 80.10583 -154.0268      100.1100 
1 1 1 8  22 22 o 107.6768 49.11476 -0.7557101     1.657909  0.4860662      1.819444  -6.832141      4.024773  132.9110 56.19440 126.4970 62.41173 6.414040       83.98235 
1 1 1 8  22 24 o 177.9736 66.72148 2.472257       2.270970  1.293646       2.993200  4.071034       3.486136  167.1502 71.42251 213.7604 82.07355 -46.61023      108.7991 
1 1 1 8  22 26 o 142.3996 61.44170 0.8260604      2.255894  2.489643       2.859114  -1.917784      3.671885  176.0450 72.08712 140.5360 66.94461 35.50897       98.37751 
1 1 1 8  22 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  22 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  23 1  o 203.2651 38.54061 3.064184       1.068108  4.198043       1.436975  1.664283       1.596681  237.4489 44.39385 159.9972 56.53606 77.45169       71.88283 
1 1 1 8  23 3  f 303.6508 28.31537 6.637305       1.202766  6.649797       1.730236  6.625624       1.673137  300.9956 41.74054 300.7940 40.31901 0.2015991      58.03357 
1 1 1 8  23 5  o 186.9232 41.27911 2.615577       1.062768  2.812780       1.605255  2.461687       1.418054  193.5693 55.64321 181.5288 52.33408 12.04050       76.38732 
1 1 1 8  23 7  o 121.7809 45.46529 0.8302860      1.052238  3.865754       1.908559  -0.4953021     1.261238  224.9847 59.16554 98.70154 44.12095 126.2832       73.80528 
1 1 1 8  23 9  o 86.12183 37.77594 -0.1986147     0.8827127 0.9621491E-01  1.266554  -0.4770783     1.230898  110.5153 46.81272 97.57555 43.60448 12.93971       63.97485 
1 1 1 8  23 11 o 186.6246 30.94813 2.561051       0.7887585 2.686733       1.157628  2.452143       1.077611  188.6744 44.14329 180.3633 42.85457 8.311096       61.52353 
1 1 1 8  23 13 o 90.00081 39.10086 -0.1202408     0.9263448 0.2020523      0.9598119 -4.501505      3.538836  99.61906 41.37441 134.2683 64.43251 -34.64925      76.57278 
1 1 1 8  23 15 o 187.3602 42.58670 2.665337       1.103510  3.029448       1.157452  -0.9701523     3.657361  200.0531 42.21163 165.6395 74.50148 34.41356       85.62881 
1 1 1 8  23 17 o 131.7743 49.98349 1.000823       1.282906  1.199558       1.382178  -0.2354724     3.447375  139.7348 52.12000 166.2352 73.70816 -26.50037      90.27396 
1 1 1 8  23 19 o 100.7342 45.44876 -0.5373976     1.373150  -1.003504      1.497367  1.927398       3.443310  98.74676 45.63736 189.6012 78.52219 -90.85442      90.82127 
1 1 1 8  23 21 o 96.30414 44.82103 -1.090002      1.483100  -1.010190      1.636441  -1.456995      3.509102  103.2083 47.70299 149.5596 69.37988 -46.35136      84.19704 
1 1 1 8  23 23 o 130.6273 58.66339 -0.2707341     2.257912  0.8538017      2.928632  -1.918774      3.545374  159.5285 69.41304 143.2285 67.49897 16.29994       96.82087 
1 1 1 8  23 25 o 173.5938 66.64896 2.578143       2.298862  3.100125       3.065847  1.907721       3.474538  186.0984 75.22322 172.5256 75.32822 13.57285       106.4560 
1 1 1 8  23 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  23 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  24 0  o 234.0306 63.58629 4.710954       1.820143  4.710954       1.820143  4.710954       1.820143  234.0306 63.58629 234.0306 63.58629 0.000000       0.000000 
1 1 1 8  24 2  o 155.5540 49.98094 1.732543       1.247830  3.148962       2.214961  1.073990       1.510309  206.7203 66.60588 142.0112 54.14600 64.70912       85.83782 
1 1 1 8  24 4  f 185.8083 48.57150 2.608221       1.291297  5.506429       2.431707  1.469998       1.523913  266.7892 65.01028 152.6914 55.08875 114.0978       85.21212 
1 1 1 8  24 6  o 119.7053 47.28765 0.6112670      1.183724  4.016681       2.440199  -0.4366774     1.353660  229.2204 69.33351 103.6655 46.06388 125.5549       83.24072 
1 1 1 8  24 8  o 216.2862 41.64374 3.498213       1.228425  5.873889       2.645374  2.845093       1.387043  274.0434 68.42336 193.5192 50.21787 80.52419       84.87397 
1 1 1 8  24 10 o 344.3684 25.15081 8.517446       1.217279  5.831508       2.802077  9.142253       1.351466  271.4808 71.83030 356.4498 26.99149 -84.96899      76.73417 
1 1 1 8  24 12 o 144.4786 61.19858 0.3321456      2.164573  0.7080061      2.794810  -0.2312837     3.421832  166.6835 70.01295 168.9480 74.23273 -2.264465      102.0407 
1 1 1 8  24 14 f 288.8451 58.07738 6.508481       2.291671  7.459498       2.932770  5.017304       3.672384  304.3291 69.61005 250.0307 85.90456 54.29848       110.5674 
1 1 1 8  24 16 o 148.2258 62.55495 0.5855080      2.247911  -0.2663758     2.944916  1.774828       3.479623  153.4240 68.07122 190.6737 78.94789 -37.24968      104.2423 
1 1 1 8  24 18 o 123.7165 43.29379 1.058431       0.9347001 1.007192       0.9726660 1.676615       3.378487  122.7697 44.04689 183.8362 77.08207 -61.06653      88.77936 
1 1 1 8  24 20 o 132.6488 47.22466 1.238958       1.115869  1.157459       1.178764  1.942109       3.462388  131.3398 48.28830 184.9442 77.81989 -53.60448      91.58436 
1 1 1 8  24 22 o 188.5373 66.87984 3.029374       2.236196  1.804761       2.922300  4.759610       3.473587  171.7319 71.82616 222.5788 82.70149 -50.84683      109.5378 
1 1 1 8  24 24 o 113.5887 53.52231 -1.363456      2.227575  -1.794670      2.961091  -0.8012554     3.381048  126.9199 60.36172 142.9858 66.91763 -16.06584      90.11941 
1 1 1 8  24 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  24 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  25 1  o 246.2234 38.91075 4.481833       1.310876  5.648635       1.913943  3.450852       1.799101  273.4296 51.34613 212.2586 58.17365 61.17097       77.59251 
1 1 1 8  25 3  f 134.5126 50.82684 1.000730       1.323572  1.156562       2.453810  0.9367871      1.571840  167.1874 67.39751 139.9479 54.72979 27.23947       86.82035 
1 1 1 8  25 5  o 156.2818 52.00668 1.725553       1.345578  3.642302       2.649328  1.059234       1.562047  220.6378 72.95982 142.5040 54.88066 78.13387       91.29634 
1 1 1 8  25 7  o 133.9018 51.30728 0.9489589      1.360493  4.818804       3.574372  0.2933314      1.471233  250.2052 84.77689 122.0342 50.99647 128.1710       98.93312 
1 1 1 8  25 9  o 102.1095 44.92305 -0.2686211     1.256880  1.388996       2.929106  -0.6427137     1.391498  180.1480 73.26700 101.3085 45.72562 78.83952       86.36484 
1 1 1 8  25 11 o 204.9226 36.74400 3.137572       1.026458  2.652496       2.907182  3.206655       1.097118  200.2418 75.40152 206.6202 38.94796 -6.378403      84.86656 
1 1 1 8  25 13 o 125.3810 57.08878 -1.021874      2.227338  -2.310837      2.858464  0.9703429      3.553703  130.5833 61.24662 182.9095 77.97991 -52.32622      99.15652 
1 1 1 8  25 15 f 281.4761 60.55536 6.409854       2.340590  7.925196       3.046722  4.227614       3.656191  306.8344 71.49412 228.2533 84.84029 78.58102       110.9472 
1 1 1 8  25 17 o 121.2021 55.79795 -1.103814      2.207334  -2.324230      2.831741  0.7860258      3.523808  126.5838 59.85701 173.4054 75.78331 -46.82161      96.57107 
1 1 1 8  25 19 o 134.1416 59.43471 -0.3845046E-01 2.237476  -1.134295      2.912679  1.539200       3.494810  137.8177 63.67905 178.6039 76.76221 -40.78619      99.73695 
1 1 1 8  25 21 o 155.9882 63.72399 1.507694       2.227680  4.946870       3.043353  -2.461922      3.269635  225.7613 78.17448 131.6744 62.84778 94.08688       100.3050 
1 1 1 8  25 23 o 110.5977 52.23597 -1.383097      2.144725  -0.9406046     2.840607  -1.969802      3.270906  130.9596 61.30470 130.7574 62.53279 0.2022247      87.57063 
1 1 1 8  25 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  25 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  26 0  o 171.4857 74.84801 3.088272       1.887278  3.088272       1.887278  3.088272       1.887278  171.4857 74.84801 171.4857 74.84801 0.000000       0.000000 
1 1 1 8  26 2  o 84.15252 40.40190 -1.944373      1.395083  -3.645599      2.423289  -1.101030      1.706185  107.5788 52.04596 107.3959 49.30059 0.1828384      71.68912 
1 1 1 8  26 4  o 91.62810 42.89973 -1.304770      1.391952  -1.234362      2.488145  -1.336843      1.679327  132.4365 60.31580 103.1974 47.91499 29.23911       77.03143 
1 1 1 8  26 6  o 128.3406 51.79141 0.6313459      1.450663  1.363854       3.499827  0.4793888      1.594046  190.2237 79.00574 129.6169 53.52907 60.60681       95.43201 
1 1 1 8  26 8  o 260.1166 38.70866 5.033019       1.381586  6.039457       2.932304  4.745847       1.566340  272.1033 74.14357 250.0696 45.95223 22.03365       87.22887 
1 1 1 8  26 10 o 126.7830 47.56796 0.9444801      1.154755  4.315599       2.921719  0.3203981      1.257107  231.6996 76.61881 113.7920 47.31322 117.9076       90.04989 
1 1 1 8  26 12 o 178.7638 62.91739 2.363932       1.975971  3.805222       2.925014  1.154050       2.679932  218.0400 76.56527 166.6238 69.16347 51.41612       103.1786 
1 1 1 8  26 14 o 84.14021 42.15237 -5.586371      2.141009  -5.444072      2.754489  -5.803562      3.402991  103.1992 51.04831 118.1143 58.10396 -14.91513      77.34339 
1 1 1 8  26 16 o 93.06262 45.89455 -4.109261      2.167774  -3.000265      2.812148  -5.733306      3.403080  119.8173 57.48190 117.2670 57.76819 2.550362       81.49437 
1 1 1 8  26 18 o 110.8085 52.37013 -1.776775      2.162380  -0.7273407     2.813570  -3.291157      3.379854  138.7041 63.53741 129.7680 62.45206 8.936127       89.09131 
1 1 1 8  26 20 f 138.9947 60.31997 0.5856324      2.199573  -0.1973905E-03 2.834100  1.473020       3.488077  144.0671 65.11890 170.8884 75.02097 -26.82121      99.34092 
1 1 1 8  26 22 o 98.33070 47.86634 -2.676869      2.134632  -5.474947      2.852873  0.8823290      3.217574  99.91463 49.84192 153.6988 69.43690 -53.78416      85.47339 
1 1 1 8  26 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  26 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  27 1  f 122.5135 52.01350 0.1865522      1.569641  0.7187558      2.551631  -0.1374439     1.990898  159.7489 66.98590 130.8055 57.06831 28.94334       87.99944 
1 1 1 8  27 3  o 112.7575 49.46105 -0.2253121     1.513394  0.4416853      2.628363  -0.5561239     1.851031  157.1369 67.02995 119.6687 53.47513 37.46825       85.74732 
1 1 1 8  27 5  o 135.5969 53.33426 0.9085456      1.500013  0.6886275      2.785328  0.9983827      1.780221  164.0045 69.44324 145.1047 57.77544 18.89986       90.33474 
1 1 1 8  27 7  o 87.66347 41.56145 -1.534628      1.382325  -2.080187      2.770074  -1.353723      1.595131  129.9796 60.74583 98.76267 46.13693 31.21697       76.28023 
1 1 1 8  27 9  f 134.0111 50.73074 1.073480       1.319986  -0.9902501E-01 2.939542  1.369619       1.477306  154.6884 68.35100 145.5736 53.96284 9.114822       87.08528 
1 1 1 8  27 11 o 90.76276 44.31237 -3.112225      1.867672  -0.1035391     2.761062  -5.650127      2.535859  148.8236 65.97738 95.92547 47.71205 52.89811       81.42146 
1 1 1 8  27 13 o 166.0255 65.93022 1.727087       2.312297  -0.1040925     2.904799  4.894464       3.820327  150.2762 67.08188 233.0351 86.70338 -82.75883      109.6241 
1 1 1 8  27 15 o 127.7936 57.36715 -0.3369613     2.156773  -2.938529      2.733471  3.954106       3.510586  117.3721 56.40334 212.9777 82.20719 -95.60555      99.69633 
1 1 1 8  27 17 o 118.6276 54.72005 -0.9152441     2.137718  0.4239649      2.789944  -2.819433      3.326797  150.1579 66.45769 130.7663 62.67810 19.39163       91.35190 
1 1 1 8  27 19 o 154.8597 62.92133 1.657077       2.157847  -0.9641344     2.839681  5.238941       3.319503  132.6244 61.82367 222.8745 81.17822 -90.25008      102.0395 
1 1 1 8  27 21 o 117.0340 54.26994 -0.6177146     2.143861  0.3185821      2.809499  -1.922888      3.317082  140.2816 63.96732 129.2548 62.11873 11.02678       89.16588 
1 1 1 8  27 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  27 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  28 0  o 155.6086 84.43254 2.738310       2.612532  2.738310       2.612532  2.738310       2.612532  155.6086 84.43254 155.6086 84.43254 0.000000       0.000000 
1 1 1 8  28 2  o 109.8180 49.01613 -0.4327334     1.550438  -2.006712      2.662674  0.3747023      1.907096  126.9842 59.41452 135.3088 57.38457 -8.324562      82.60191 
1 1 1 8  28 4  o 122.3277 51.58494 0.3191002      1.526697  -2.937436      2.657242  1.923781       1.865295  118.2422 56.49711 166.3472 60.81158 -48.10506      83.00585 
1 1 1 8  28 6  o 172.3275 56.63533 2.289158       1.597262  8.016806       3.771813  1.037576       1.763160  298.0072 85.17599 143.4621 57.37234 154.5451       102.6963 
1 1 1 8  28 8  o 97.63593 44.24790 -0.5680069     1.318825  -3.575009      2.732208  0.3454378      1.505872  114.3060 55.29168 121.2262 51.18201 -6.920212      75.34433 
1 1 1 8  28 10 f 82.69073 38.25484 -0.7437366     1.055957  -3.620978      2.667991  -0.2093059     1.149852  111.4281 54.07411 96.54904 42.70111 14.87910       68.90134 
1 1 1 8  28 12 o 112.9863 52.10030 -0.9879658     1.935598  1.145922       2.765324  -3.037636      2.710206  162.1801 68.95313 116.0913 55.88378 46.08886       88.75546 
1 1 1 8  28 14 o 134.3166 58.57026 0.3127589      2.094782  -0.4488035     2.544185  1.915730       3.691126  134.9495 61.27655 182.3657 78.63885 -47.41624      99.69395 
1 1 1 8  28 16 o 147.5805 61.38513 1.203008       2.117228  0.2364348      2.754907  2.597605       3.309130  145.3555 65.07496 183.5616 76.57773 -38.20607      100.4933 
1 1 1 8  28 18 o 103.9435 49.58143 -1.724308      2.028441  -2.980116      2.660870  0.1801002E-01  3.134192  110.4398 53.68834 145.1610 66.70393 -34.72118      85.62623 
1 1 1 8  28 20 o 126.9480 56.88059 0.3315738      2.109454  -0.5952976     2.751424  1.653265       3.285586  128.5500 60.22760 158.2953 70.95238 -29.74530      93.06774 
1 1 1 8  28 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  28 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  29 1  o 86.52121 42.07601 -2.573911      1.638323  -2.887778      2.550315  -2.353374      2.137772  114.1806 54.76793 106.1597 50.71053 8.020912       74.63969 
1 1 1 8  29 3  o 113.1313 50.05679 -0.2173299     1.581783  -4.528180      2.688700  2.064404       1.956111  106.2977 52.16153 168.4807 62.15977 -62.18302      81.14593 
1 1 1 8  29 5  o 121.9810 52.34073 0.2342277      1.619860  0.6628780E-01  3.480193  0.2806731      1.830198  163.3434 73.13367 129.0160 55.50124 34.32747       91.80916 
1 1 1 8  29 7  o 152.2743 54.08236 1.721519       1.462676  0.6441587      2.687734  2.174845       1.743454  154.1879 66.79688 167.5656 59.08924 -13.37766      89.18162 
1 1 1 8  29 9  f 80.46521 38.42643 -1.439643      1.225768  -2.576566      2.644277  -1.128471      1.383380  117.6405 56.25029 91.14334 42.70324 26.49715       70.62338 
1 1 1 8  29 11 o 223.8408 63.26083 4.398722       2.092338  2.588692       2.767020  6.815690       3.197460  182.6806 72.25653 265.3851 79.16145 -82.70447      107.1799 
1 1 1 8  29 13 o 129.5913 57.76497 -0.2385452E-02 2.145857  0.2038807      2.699501  -0.3564425     3.536764  144.3327 64.53162 153.3653 70.61391 -9.032516      95.65906 
1 1 1 8  29 15 o 154.7574 62.59305 1.707268       2.124208  -0.8892164     2.645875  6.415525       3.562924  128.7104 59.89072 240.0871 84.48702 -111.3767      103.5614 
1 1 1 8  29 17 o 162.8994 63.31783 2.355312       2.093572  3.773168       2.801691  0.5625350      3.150411  189.7735 73.38891 147.7447 67.51041 42.02879       99.71753 
1 1 1 8  29 19 o 131.5154 57.40654 0.8467447      2.016726  -0.2468598     2.625390  2.420947       3.149879  128.2841 59.68090 163.9039 71.63990 -35.61984      93.24208 
1 1 1 8  29 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  29 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  30 0  o 121.7217 76.04860 1.163154       2.682421  1.163154       2.682421  1.163154       2.682421  121.7217 76.04860 121.7217 76.04860 0.000000       0.000000 
1 1 1 8  30 2  o 158.2625 56.47180 1.913091       1.596532  4.041165       2.608964  0.6391230      2.018618  212.9211 72.42544 138.6033 58.92022 74.31775       93.36507 
1 1 1 8  30 4  o 152.0575 55.63451 1.706519       1.561714  0.7125431E-01  2.719083  2.511516       1.907769  145.7209 64.98493 175.8557 61.82791 -30.13481      89.69801 
1 1 1 8  30 6  o 89.16949 42.30738 -1.434995      1.437648  -3.226430      2.503074  -0.5531201     1.756211  108.0266 52.41236 112.0755 50.89821 -4.048912      73.05946 
1 1 1 8  30 8  o 147.3928 52.14364 1.667151       1.358543  2.150163       2.533960  1.472308       1.609395  171.5388 68.71854 145.5752 55.79770 25.96355       88.51904 
1 1 1 8  30 10 o 96.83280 42.21575 0.6983834E-02  1.087752  0.4291228      2.668249  -0.7715479E-01 1.191232  146.0121 64.78810 99.15437 43.67437 46.85773       78.13418 
1 1 1 8  30 12 o 174.6792 61.93200 2.677222       1.917347  3.264650       2.601618  1.978845       2.836684  187.8655 71.19740 167.2674 70.41334 20.59802       100.1355 
1 1 1 8  30 14 o 140.1816 59.43795 1.119180       2.045257  -2.644050      2.528102  8.247923       3.479531  108.8072 52.76354 268.5853 83.09303 -159.7781      98.42989 
1 1 1 8  30 16 o 143.8921 60.16088 1.540879       2.049068  -1.556265      2.598879  6.629496       3.331235  116.2742 55.64246 229.0992 81.59175 -112.8250      98.75878 
1 1 1 8  30 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  30 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  30 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  31 1  o 179.1409 59.50872 2.744796       1.761955  0.3264495      2.475433  5.228096       2.508456  141.4589 62.60411 236.5173 70.00818 -95.05836      93.91708 
1 1 1 8  31 3  o 129.8362 53.55771 0.8232532      1.593278  0.1491358      2.731598  1.170854       1.961505  144.0055 64.60950 144.3405 59.47133 -0.3350220     87.81358 
1 1 1 8  31 5  o 159.7465 57.10091 2.071476       1.633019  -3.125329      3.763351  3.276983       1.812556  135.2552 65.29443 192.7379 60.02856 -57.48271      88.69493 
1 1 1 8  31 7  f 109.7262 48.01479 0.8891531E-01  1.418498  -1.714351      2.469378  0.9769952      1.732940  117.2911 55.59081 134.9694 55.78302 -17.67835      78.75330 
1 1 1 8  31 9  o 160.8483 61.97905 2.112988       1.993026  -0.7017022     2.703987  5.461014       2.949061  131.1067 60.84832 228.1521 77.00642 -97.04539      98.14533 
1 1 1 8  31 11 o 120.4440 53.89813 0.8112720E-01  1.887577  3.253560       2.502708  -4.104319      2.874650  182.4377 69.66662 107.3455 52.92151 75.09215       87.48785 
1 1 1 8  31 13 o 92.61826 44.81431 -1.977003      1.798207  -5.213077      2.474901  1.641771       2.617155  90.44036 45.31027 151.3187 65.73165 -60.87832      79.83527 
1 1 1 8  31 15 o 102.0879 48.94753 -1.525228      2.032423  -1.491660      2.474202  -1.594873      3.563863  112.5463 53.97358 129.9383 62.92411 -17.39197      82.90109 
1 1 1 8  31 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  31 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  31 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  32 0  o 104.7595 69.04536 0.2549696      2.621504  0.2549696      2.621504  0.2549696      2.621504  104.7595 69.04536 104.7595 69.04536 0.000000       0.000000 
1 1 1 8  32 2  o 89.14262 43.13025 -2.089741      1.665030  -0.9492657     2.558100  -2.928060      2.193206  125.2700 58.48906 98.81094 48.19294 26.45901       75.78608 
1 1 1 8  32 4  o 133.4607 54.79830 1.064968       1.657856  3.148086       3.771890  0.5661798      1.845695  185.2815 79.69116 128.0018 55.40308 57.27965       97.05762 
1 1 1 8  32 6  o 143.0340 53.75860 1.622997       1.476255  2.547762       2.614176  1.190012       1.788774  170.1471 69.21008 137.3957 56.71938 32.75137       89.48252 
1 1 1 8  32 8  o 130.5563 56.59002 0.7569793      1.931223  -0.5434717E-01 2.566230  1.816513       2.932616  131.4701 60.39269 158.5973 69.22665 -27.12717      91.86733 
1 1 1 8  32 10 f 149.5241 59.88182 1.925215       1.923578  3.087962       2.664468  0.6595375      2.779901  172.3549 69.95958 139.8756 63.72327 32.47925       94.63085 
1 1 1 8  32 12 o 110.7859 51.15456 -0.3027809     1.875029  -3.626358      2.540605  3.673082       2.778752  98.86709 48.92722 177.6389 71.68212 -78.77183      86.78825 
1 1 1 8  32 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  32 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  32 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  33 1  o 109.1283 49.56921 -0.1817843     1.666675  0.8787915      2.457178  -1.085511      2.268215  139.3550 61.98393 113.5604 53.66039 25.79460       81.98441 
1 1 1 8  33 3  o 110.9496 50.74403 -0.2496057     1.785287  -2.179686      3.230997  0.5986533      2.141969  123.3320 59.76975 130.1320 57.87733 -6.800011      83.19981 
1 1 1 8  33 5  o 91.08000 44.33473 -2.196581      1.830681  -2.518034      2.440902  -1.783279      2.767738  104.5845 50.97186 116.8121 56.29213 -12.22757      75.94034 
1 1 1 8  33 7  f 151.1196 59.45420 2.130607       1.864401  1.434759       2.486952  3.023488       2.817132  143.2527 63.10128 167.2022 70.26518 -23.94955      94.44028 
1 1 1 8  33 9  o 96.72595 46.56351 -1.566743      1.881998  -1.225748      2.462579  -2.045569      2.918129  113.0122 54.10353 115.2431 56.06895 -2.230972      77.91610 
1 1 1 8  33 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  33 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  33 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  33 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  34 0  f 98.17542 65.52937 0.3422592      2.487481  0.3422592      2.487481  0.3422592      2.487481  98.17542 65.52937 98.17542 65.52937 0.000000       0.000000 
1 1 1 8  34 2  o 96.32986 45.39588 -0.8085196     1.603416  3.366821       2.404481  -4.152009      2.151668  170.7505 67.41344 85.48289 42.74086 85.26762       79.82075 
1 1 1 8  34 4  o 99.64452 46.99312 -0.7913692     1.724071  -0.1768134     2.343115  -1.516901      2.545899  119.3970 55.82244 111.1835 53.68137 8.213501       77.44569 
1 1 1 8  34 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  34 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  34 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  34 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  34 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  35 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  35 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  35 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  35 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  35 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  35 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  36 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  36 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  36 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  36 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  36 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  37 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 8  37 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  0  1  o 316.2324 21.02050 7.173923       0.9310589 7.173923       0.9310589 7.173923       0.9310589 316.2324 21.02050 316.2324 21.02050 0.000000       0.000000 
1 1 1 9  0  3  o 881.1455 15.11984 55.00673       1.884197  55.00673       1.884197  55.00673       1.884197  881.1455 15.11984 881.1455 15.11984 0.000000       0.000000 
1 1 1 9  0  5  o 1260.564 16.41304 112.5471       2.926901  112.5471       2.926901  112.5471       2.926901  1260.564 16.41304 1260.564 16.41304 0.000000       0.000000 
1 1 1 9  0  7  o 451.5032 18.56564 14.50768       1.181720  14.50768       1.181720  14.50768       1.181720  451.5032 18.56564 451.5032 18.56564 0.000000       0.000000 
1 1 1 9  0  9  o 2033.288 20.56706 292.9427       5.916855  292.9427       5.916855  292.9427       5.916855  2033.288 20.56706 2033.288 20.56706 0.000000       0.000000 
1 1 1 9  0  11 o 467.5329 22.05669 15.59503       1.451966  15.59503       1.451966  15.59503       1.451966  467.5329 22.05669 467.5329 22.05669 0.000000       0.000000 
1 1 1 9  0  13 o 783.1526 33.12007 43.82133       3.655804  43.82133       3.655804  43.82133       3.655804  783.1526 33.12007 783.1526 33.12007 0.000000       0.000000 
1 1 1 9  0  15 o 1768.058 23.57839 221.8182       5.897344  221.8182       5.897344  221.8182       5.897344  1768.058 23.57839 1768.058 23.57839 0.000000       0.000000 
1 1 1 9  0  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  0  19 o 979.3686 28.83298 68.18038       3.988433  68.18038       3.988433  68.18038       3.988433  979.3686 28.83298 979.3686 28.83298 0.000000       0.000000 
1 1 1 9  0  21 o 2048.463 33.44147 298.0528       9.688853  298.0528       9.688853  298.0528       9.688853  2048.463 33.44147 2048.463 33.44147 0.000000       0.000000 
1 1 1 9  0  23 o 400.8446 49.38595 11.97329       2.687570  11.97329       2.687570  11.97329       2.687570  400.8446 49.38595 400.8446 49.38595 0.000000       0.000000 
1 1 1 9  0  25 o 520.3571 44.78705 19.75206       3.239678  19.75206       3.239678  19.75206       3.239678  520.3571 44.78705 520.3571 44.78705 0.000000       0.000000 
1 1 1 9  0  27 o 121.1458 77.61972 0.3032108      3.002125  0.3032108      3.002125  0.3032108      3.002125  121.1458 77.61972 121.1458 77.61972 0.000000       0.000000 
1 1 1 9  0  29 o 318.5062 89.95025 9.106160       3.510443  9.106160       3.510443  9.106160       3.510443  318.5062 89.95025 318.5062 89.95025 0.000000       0.000000 
1 1 1 9  0  31 o 327.5277 90.87799 9.755608       3.643443  9.755608       3.643443  9.755608       3.643443  327.5277 90.87799 327.5277 90.87799 0.000000       0.000000 
1 1 1 9  0  33 o 401.4811 78.73141 13.64323       3.982303  13.64323       3.982303  13.64323       3.982303  401.4811 78.73141 401.4811 78.73141 0.000000       0.000000 
1 1 1 9  0  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  0  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  1  0  o 343.3893 20.28324 8.435576       0.9777525 8.435576       0.9777525 8.435576       0.9777525 343.3893 20.28324 343.3893 20.28324 0.000000       0.000000 
1 1 1 9  1  2  o 779.5252 10.67509 43.01239       1.177665  42.74735       1.664933  43.27777       1.666006  776.9900 15.14124 781.7985 15.05781 -4.808533      21.35404 
1 1 1 9  1  4  o 1886.170 13.60728 251.8864       3.632218  252.3676       5.157993  251.4131       5.115731  1887.413 19.31053 1883.854 19.18848 3.559082       27.22305 
1 1 1 9  1  6  o 986.2351 11.90668 68.86080       1.661847  67.30712       2.154309  71.14400       2.611557  974.8668 15.61504 1002.096 18.41493 -27.22974      24.14413 
1 1 1 9  1  8  o 788.7005 11.35553 44.04242       1.267475  43.63749       1.786770  44.45255       1.798246  784.8326 16.08687 792.1310 16.04103 -7.298340      22.71788 
1 1 1 9  1  10 o 1174.297 12.53831 97.66570       2.083709  96.18025       3.133515  98.84327       2.789939  1164.644 19.01160 1180.940 16.69349 -16.29614      25.30047 
1 1 1 9  1  12 o 967.8686 22.77804 66.53752       3.119985  64.55975       4.350915  68.63103       4.476412  951.0071 32.37506 980.5872 32.30109 -29.58008      45.73298 
1 1 1 9  1  14 f 1423.042 15.11961 143.5649       3.044937  148.4334       4.391428  139.0569       4.225732  1445.581 21.46563 1399.209 21.34025 46.37195       30.26846 
1 1 1 9  1  16 o 1131.293 16.84812 90.74729       2.697405  95.07065       3.565760  84.96338       4.124323  1157.130 21.77460 1092.957 26.66428 64.17310       34.42553 
1 1 1 9  1  18 o 1838.005 21.74450 239.6331       5.656083  235.5565       7.886448  243.9507       8.116323  1820.118 30.61696 1852.162 30.96424 -32.04468      43.54518 
1 1 1 9  1  20 o 637.8547 23.04701 28.89982       2.077025  29.25124       2.938711  28.54905       2.936005  640.5215 32.52576 632.7111 32.90229 7.810364       46.26538 
1 1 1 9  1  22 o 950.0106 21.77639 64.05693       2.927751  65.35387       4.183282  62.81175       4.098938  957.6186 30.90822 938.7929 30.89396 18.82568       43.70074 
1 1 1 9  1  24 o 188.0777 59.39934 2.552723       1.768576  2.037053       2.533380  3.042958       2.470109  188.1985 70.48829 208.8341 70.47630 -20.63559      99.67702 
1 1 1 9  1  26 o 349.5306 45.58998 8.970861       2.201451  7.853468       3.096673  10.11261       3.130243  319.3030 70.42354 366.0652 62.67524 -46.76218      94.27439 
1 1 1 9  1  28 o 294.4604 60.75466 6.681113       2.447748  7.372690       3.442614  5.974036       3.480982  303.2053 79.33035 273.7948 82.80838 29.41046       114.6758 
1 1 1 9  1  30 o 919.5034 28.47922 60.98919       3.701496  59.75046       5.087398  62.38255       5.395600  901.8389 39.96011 920.1628 41.54097 -18.32391      57.64081 
1 1 1 9  1  32 f 180.0556 70.17979 2.083632       2.577539  1.022611       3.682810  3.102384       3.608703  182.2923 78.57827 209.7361 82.65442 -27.44380      114.0452 
1 1 1 9  1  34 o 196.4144 68.99976 3.278569       2.375692  0.4998956      3.429082  5.843307       3.294433  164.6537 73.23077 247.4191 81.33849 -82.76543      109.4472 
1 1 1 9  1  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  2  1  o 958.6766 10.62179 65.05439       1.441085  63.30667       2.014049  66.88779       2.062829  945.5550 15.05094 971.9335 14.99709 -26.37848      21.24719 
1 1 1 9  2  3  o 1110.574 11.02388 87.30659       1.732613  88.59090       2.471924  86.06629       2.429204  1118.502 15.61632 1102.452 15.56985 16.04993       22.05198 
1 1 1 9  2  5  o 2193.281 14.98779 340.6533       4.652128  341.2870       6.592995  340.0248       6.565299  2194.471 21.22917 2190.417 21.17912 4.053955       29.98721 
1 1 1 9  2  7  f 426.2641 14.67534 12.88387       0.8839716 12.02019       1.300924  13.62468       1.204847  411.1194 22.44474 438.0273 19.48494 -26.90796      29.72254 
1 1 1 9  2  9  o 496.5637 13.13329 17.47553       0.9221187 18.13865       1.311359  16.82695       1.296907  505.5267 18.36030 486.8380 18.85934 18.68869       26.32063 
1 1 1 9  2  11 o 830.1503 12.57310 48.81659       1.477131  50.09135       2.278595  47.89254       1.939980  840.3262 19.16017 821.9224 16.67810 18.40381       25.40219 
1 1 1 9  2  13 o 1099.135 23.70873 85.87458       3.687901  91.17278       5.347663  81.06967       5.092636  1129.508 33.49152 1064.924 33.83420 64.58423       47.60709 
1 1 1 9  2  15 o 1638.529 19.66616 190.5702       4.560301  188.2790       5.223323  197.9156       9.352473  1627.814 22.67370 1661.821 39.76696 -34.00745      45.77672 
1 1 1 9  2  17 o 883.7287 19.47371 55.38740       2.435496  53.99659       3.412322  56.83161       3.477219  871.1191 27.71441 893.7509 27.52413 -22.63177      39.05978 
1 1 1 9  2  19 f 1442.528 20.53479 147.5381       4.192127  145.4945       5.890986  149.6348       5.966867  1431.069 29.08759 1451.295 29.05166 -20.22583      41.11066 
1 1 1 9  2  21 o 1424.780 21.26296 143.9986       4.287373  144.3345       6.071681  143.6646       6.054875  1424.674 30.11436 1421.367 30.10088 3.307129       42.57861 
1 1 1 9  2  23 o 717.5350 24.17886 36.63494       2.451760  36.88658       3.555085  36.40670       3.385736  717.8011 35.10307 713.4467 33.62758 4.354370       48.61111 
1 1 1 9  2  25 o 720.7478 25.97554 37.03542       2.645190  34.66938       3.722198  39.44952       3.759813  694.3291 38.02554 741.3979 35.94106 -47.06879      52.32305 
1 1 1 9  2  27 o 952.1626 25.86245 64.73341       3.481755  62.94770       4.930880  66.50912       4.917040  934.3787 37.36443 961.0222 36.21833 -26.64349      52.03717 
1 1 1 9  2  29 o 482.0823 39.79707 17.04934       2.690975  17.40699       3.947744  16.73892       3.677806  476.9205 59.80142 469.4380 56.49343 7.482422       82.26614 
1 1 1 9  2  31 o 567.6070 37.82785 23.75249       3.021298  29.36277       4.490537  19.11233       4.083877  621.0043 51.56026 494.4776 59.55654 126.5267       78.77463 
1 1 1 9  2  33 f 682.8603 33.81872 34.44582       3.258033  34.04467       4.619158  34.84297       4.596038  663.1484 49.57777 671.9570 48.66028 -8.808533      69.46781 
1 1 1 9  2  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  2  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  3  0  o 2035.856 20.09251 293.5448       5.787696  293.5448       5.787696  293.5448       5.787696  2035.856 20.09251 2035.856 20.09251 0.000000       0.000000 
1 1 1 9  3  2  o 940.1210 11.45557 62.56534       1.524124  62.08735       2.001976  63.22431       2.350635  936.3823 15.10727 944.7988 17.58029 -8.416565      23.17965 
1 1 1 9  3  4  o 359.6099 14.31210 9.171416       0.7269197 8.930709       1.006530  9.433836       1.050947  354.4508 20.14854 364.3041 20.46665 -9.853271      28.72016 
1 1 1 9  3  6  o 632.3950 11.39350 28.31299       1.019683  26.77349       1.407751  30.01223       1.478984  614.5907 16.19940 650.9337 16.05488 -36.34302      22.80745 
1 1 1 9  3  8  o 646.9186 11.72481 29.63325       1.073434  31.06810       1.535949  28.26333       1.500791  662.1845 16.38996 631.3430 16.81209 30.84149       23.47929 
1 1 1 9  3  10 o 1426.259 12.49819 144.0816       2.522699  142.7345       3.546047  145.4621       3.589624  1418.889 17.65941 1432.375 17.70812 -13.48535      25.00865 
1 1 1 9  3  12 o 648.6041 24.00366 29.93950       2.199516  32.17221       3.108083  27.69958       3.113094  670.7430 32.84271 621.6849 35.53157 49.05804       48.38530 
1 1 1 9  3  14 o 795.4236 17.82749 44.88853       2.006820  43.89205       2.716845  46.08509       2.977125  785.2523 24.47746 804.3074 26.18995 -19.05511      35.84773 
1 1 1 9  3  16 o 988.8200 16.66160 69.32114       2.331598  73.48814       3.079005  63.71931       3.569955  1017.469 21.38303 946.2231 26.68599 71.24634       34.19614 
1 1 1 9  3  18 o 364.7792 29.43646 9.517721       1.506726  8.740276       2.062140  10.40813       2.206880  347.2816 42.86712 379.6180 41.76757 -32.33643      59.85081 
1 1 1 9  3  20 o 642.6452 23.26591 29.33838       2.112486  24.73283       2.836889  35.07082       3.164980  588.5643 34.20614 701.5537 31.96189 -112.9894      46.81477 
1 1 1 9  3  22 o 1716.542 22.56199 209.2071       5.480897  205.8033       7.678124  212.7436       7.826319  1699.631 31.92131 1728.022 32.00284 -28.39087      45.20123 
1 1 1 9  3  24 o 1276.796 22.52567 115.8537       4.070230  116.6688       5.771653  115.0473       5.740819  1278.510 31.89895 1269.173 31.98743 9.336670       45.17454 
1 1 1 9  3  26 o 699.6957 27.93480 34.98639       2.760582  32.84225       3.851415  37.25188       3.958910  674.2007 40.55305 718.7021 39.06997 -44.50140      56.31174 
1 1 1 9  3  28 o 623.8306 33.94765 28.11038       2.985771  28.77439       4.295923  27.48990       4.152752  624.3933 49.00841 610.4998 48.46258 13.89355       68.92348 
1 1 1 9  3  30 f 670.4708 32.41668 32.66145       3.066757  31.81142       4.286026  33.55319       4.389940  652.6138 46.71547 670.4329 46.55753 -17.81915      65.95406 
1 1 1 9  3  32 o 418.5055 47.46641 13.39037       2.761710  16.16127       3.866568  10.50453       3.945936  448.6581 62.59813 345.6258 81.92884 103.0323       103.1061 
1 1 1 9  3  34 o 355.4747 50.95131 10.13188       2.490015  12.69206       3.643237  7.887636       3.411047  379.7818 70.37593 287.2407 80.63056 92.54105       107.0236 
1 1 1 9  3  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  4  1  o 1543.400 12.19440 168.6374       2.663537  164.2864       3.692492  173.3573       3.845805  1523.006 17.13161 1564.466 17.37006 -41.46045      24.39695 
1 1 1 9  4  3  o 1046.654 11.72531 77.55278       1.736789  78.86335       2.669177  76.59047       2.287208  1055.136 17.87512 1039.957 15.54070 15.17908       23.68614 
1 1 1 9  4  5  f 1174.744 11.31757 97.69819       1.881552  95.79604       2.626752  99.70261       2.696448  1162.973 15.95989 1186.442 16.05927 -23.46899      22.64107 
1 1 1 9  4  7  o 1219.354 11.62756 105.2748       2.006496  105.1459       2.842470  105.4029       2.832782  1218.218 16.48736 1219.714 16.41102 -1.495483      23.26273 
1 1 1 9  4  9  o 685.5017 11.83171 33.27786       1.147826  32.72470       1.621829  33.83299       1.624717  679.4994 16.86538 690.9263 16.61599 -11.42694      23.67556 
1 1 1 9  4  11 o 1026.865 13.51474 74.71101       1.963998  73.24323       2.767788  76.19960       2.787340  1016.045 19.24864 1036.382 19.00422 -20.33740      27.04941 
1 1 1 9  4  13 o 1582.108 27.17825 178.1962       6.085234  190.3788       8.456579  165.1140       8.763253  1631.268 36.63106 1516.623 40.86617 114.6454       54.88058 
1 1 1 9  4  15 o 1326.399 16.75320 124.7644       3.144792  125.3050       4.055346  123.9490       4.980772  1328.312 21.57287 1319.842 26.66582 8.470093       34.29948 
1 1 1 9  4  17 o 689.2280 20.63591 33.72458       2.010560  33.23114       2.828366  34.22863       2.858596  683.0150 29.32911 693.2279 29.20323 -10.21289      41.38871 
1 1 1 9  4  19 f 2405.959 28.85810 411.2215       9.825976  409.1989       12.07868  415.1790       16.89566  2397.579 35.59809 2408.296 49.57303 -10.71729      61.03040 
1 1 1 9  4  21 o 1244.835 21.08620 109.9362       3.714753  104.9917       5.122296  115.4216       5.395233  1214.952 29.79105 1273.840 29.92786 -58.88782      42.22776 
1 1 1 9  4  23 o 924.5545 22.85451 60.73658       2.990365  58.46877       4.245718  62.96906       4.212507  904.4613 33.22616 939.0724 31.74289 -34.61108      45.95203 
1 1 1 9  4  25 o 322.4872 45.40909 7.642812       2.015096  6.775367       2.874831  8.480661       2.825364  296.9728 69.62078 335.2729 61.82367 -38.30008      93.10864 
1 1 1 9  4  27 o 620.5905 31.82654 27.68543       2.785873  27.93180       3.938892  27.43884       3.940748  618.4393 45.31929 612.7393 45.77549 5.700012       64.41455 
1 1 1 9  4  29 o 184.0793 68.91743 2.191855       2.421213  8.576480       3.751906  -2.364516      3.169522  320.9200 82.24192 139.6821 65.18067 181.2379       104.9393 
1 1 1 9  4  31 o 283.0387 63.95002 6.503808       2.500988  6.156445       3.791054  6.771481       3.327898  265.5110 87.25243 280.3886 79.96357 -14.87766      118.3518 
1 1 1 9  4  33 o 773.6104 30.78490 43.95621       3.363658  49.01892       4.927167  39.53738       4.603202  802.5714 43.54351 718.2565 45.51982 84.31482       62.99279 
1 1 1 9  4  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  4  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  5  0  o 1943.890 19.48772 267.6363       5.359868  267.6363       5.359868  267.6363       5.359868  1943.890 19.48772 1943.890 19.48772 0.000000       0.000000 
1 1 1 9  5  2  o 547.1260 12.30837 21.19316       0.9530323 22.08154       1.448462  20.51497       1.265561  557.9924 18.36755 537.9254 16.64424 20.06696       24.78704 
1 1 1 9  5  4  f 402.4035 13.68067 11.47955       0.7779593 11.30883       1.087911  11.65820       1.112916  399.0230 19.32274 405.1425 19.46737 -6.119537      27.42894 
1 1 1 9  5  6  o 1314.489 11.79941 122.3431       2.195014  123.5744       3.133429  121.1566       3.075809  1320.660 16.76521 1307.692 16.62012 12.96875       23.60721 
1 1 1 9  5  8  o 734.2208 11.47433 38.17305       1.192267  36.90049       1.664002  39.51561       1.709146  721.6142 16.29405 746.7548 16.17265 -25.14063      22.95758 
1 1 1 9  5  10 o 929.6229 11.65587 61.20834       1.533456  60.53638       2.175158  61.87231       2.162169  924.0573 16.63306 934.2274 16.35375 -10.17017      23.32603 
1 1 1 9  5  12 f 886.5305 31.25739 56.12718       3.915490  56.12718       3.915490  0.000000       0.000000  886.5305 31.25739 ?        ?        ?              ?        
1 1 1 9  5  14 o 1236.330 16.58217 108.4067       2.901320  109.7776       3.767526  106.4089       4.547955  1243.172 21.41437 1222.767 26.28165 20.40466       33.90133 
1 1 1 9  5  16 o 638.3862 18.16615 28.92175       1.639549  27.21832       2.039156  32.03664       2.757468  618.6909 23.33113 670.4204 29.13275 -51.72949      37.32370 
1 1 1 9  5  18 o 978.3452 22.74476 67.90150       3.149150  66.93243       5.339214  68.41846       3.899692  968.1776 39.04760 981.0063 28.11816 -12.82874      48.11805 
1 1 1 9  5  20 o 1763.770 22.14818 220.6875       5.528403  223.7954       7.930648  217.7496       7.710678  1773.818 31.59220 1749.823 31.13713 23.99475       44.35750 
1 1 1 9  5  22 o 667.4619 24.47570 31.70243       2.308050  38.20995       3.439635  26.37243       3.112918  731.1729 33.32851 606.5302 36.43361 124.6427       49.37811 
1 1 1 9  5  24 o 1773.267 23.69972 223.6201       5.947535  231.4114       8.630152  216.5726       8.207896  1799.207 33.89358 1740.865 33.31556 58.34241       47.52579 
1 1 1 9  5  26 o 451.9654 36.91552 14.77186       2.340656  14.63846       3.206701  14.92400       3.424388  445.3354 51.84904 448.5418 55.10260 -3.206329      75.66121 
1 1 1 9  5  28 o 209.4709 66.70155 3.335353       2.226176  4.650308       3.252156  2.175929       3.053775  244.4852 80.83500 195.7459 76.36181 48.73929       111.1999 
1 1 1 9  5  30 o 94.62119 46.85991 -5.041778      2.345970  -6.879271      3.352629  -3.278910      3.283845  113.2759 56.08421 133.8040 63.61592 -20.52808      84.80816 
1 1 1 9  5  32 o 552.2522 38.02725 22.69604       2.953879  21.13730       4.121803  24.34185       4.235343  517.2639 57.26398 558.2320 54.29621 -40.96814      78.91288 
1 1 1 9  5  34 f 302.8286 76.77770 8.588384       3.294446  8.678337       4.776289  8.506751       4.550041  278.4001 97.83304 278.5423 95.62302 -0.1421204     136.8030 
1 1 1 9  5  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  6  1  o 617.7469 11.93052 27.01739       1.043013  28.26283       1.406428  25.49532       1.554791  631.7001 15.73210 599.5956 18.34446 32.10455       24.16647 
1 1 1 9  6  3  o 1257.909 12.14653 112.0331       2.162327  109.1995       3.233879  114.3245       2.907999  1241.422 18.40707 1270.417 16.17440 -28.99475      24.50370 
1 1 1 9  6  5  o 1549.723 12.45505 170.0629       2.731613  168.1555       3.826801  172.0445       3.900419  1540.462 17.55355 1558.156 17.68807 -17.69421      24.91977 
1 1 1 9  6  7  o 594.8810 11.96686 25.06021       1.007465  24.69778       1.410652  25.43751       1.439322  590.0964 16.90928 598.8679 16.99992 -8.771545      23.97751 
1 1 1 9  6  9  o 585.4023 12.48354 24.27473       1.034218  23.09080       1.435612  25.55209       1.491180  570.3629 17.80732 600.0421 17.57911 -29.67926      25.02251 
1 1 1 9  6  11 f 783.9194 15.99190 43.57291       1.774154  42.24170       2.484130  44.95888       2.534699  770.7101 22.80033 795.1757 22.54665 -24.46558      32.06566 
1 1 1 9  6  13 o 643.2159 18.76298 29.38761       1.706138  27.52400       2.299348  31.67068       2.544994  621.3278 26.20840 666.4095 27.04137 -45.08167      37.65789 
1 1 1 9  6  15 o 389.8983 22.48635 10.83167       1.235503  10.60950       1.574375  11.18783       1.993381  384.9627 29.11395 394.1743 36.13573 -9.211517      46.40488 
1 1 1 9  6  17 o 600.9364 18.79769 25.62581       1.596682  24.14869       2.003914  28.19406       2.642343  582.7724 24.35108 629.0623 29.76524 -46.28986      38.45705 
1 1 1 9  6  19 o 830.5904 21.19936 48.95515       2.489857  50.59700       3.551599  47.36835       3.491547  843.2537 29.80777 815.7960 30.29505 27.45776       42.50050 
1 1 1 9  6  21 o 869.8250 21.71645 53.69872       2.673256  53.42805       3.778499  53.96998       3.782613  865.7568 30.88874 870.1673 30.76474 -4.410522      43.59568 
1 1 1 9  6  23 o 797.6445 27.21670 45.35237       3.067807  44.21709       3.877754  47.25167       5.015638  785.7157 34.96101 809.4912 43.94667 -23.77551      56.15676 
1 1 1 9  6  25 o 213.4904 62.58773 3.425467       2.012955  5.828021       2.860724  1.069293       2.832977  274.6489 72.53574 176.3443 71.92921 98.30455       102.1530 
1 1 1 9  6  27 o 450.2688 40.29169 14.78937       2.540374  12.12801       3.547249  17.59142       3.639802  397.7314 65.28353 485.9852 53.82298 -88.25385      84.61000 
1 1 1 9  6  29 o 222.7753 67.39696 3.943282       2.305633  2.522169       3.353347  5.217453       3.175252  203.0910 79.78564 252.2972 79.57813 -49.20619      112.6873 
1 1 1 9  6  31 o 532.3655 36.90288 20.94299       2.763081  23.55849       4.041676  18.64792       3.786014  553.3997 52.22390 489.3041 55.66269 64.09564       76.32608 
1 1 1 9  6  33 o 186.0898 67.45988 2.778854       2.288664  9.233307       3.391376  -2.618861      3.101353  319.8159 76.04817 129.5572 61.66103 190.2587       97.90509 
1 1 1 9  6  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  6  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  7  0  o 666.7892 15.95026 31.53142       1.503192  31.53142       1.503192  31.53142       1.503192  666.7892 15.95026 666.7892 15.95026 0.000000       0.000000 
1 1 1 9  7  2  f 869.1359 10.90743 53.48005       1.341621  53.26778       1.896497  53.69270       1.898180  867.1815 15.45334 870.6362 15.40568 -3.454773      21.82065 
1 1 1 9  7  4  o 1138.553 11.21456 91.78284       1.806988  92.72810       2.562785  90.84830       2.548212  1144.054 15.82871 1132.393 15.90079 11.66187       22.43621 
1 1 1 9  7  6  o 333.0983 16.98211 7.883878       0.7978994 7.732979       1.174599  8.013169       1.087256  329.0308 25.42216 335.2455 23.05696 -6.214722      34.32069 
1 1 1 9  7  8  o 411.0008 14.45402 11.98443       0.8394106 12.21674       1.169892  11.73792       1.205102  414.4770 20.00368 406.1451 21.03806 8.331909       29.03011 
1 1 1 9  7  10 o 819.3886 13.29821 47.57399       1.542066  47.21772       2.175534  47.93374       2.186126  815.7474 18.84475 821.9153 18.79439 -6.167847      26.61492 
1 1 1 9  7  12 o 121.9435 45.59081 0.8152236      1.058814  0.1698952      1.774026  1.172302       1.319627  131.5547 55.54810 140.2781 51.16972 -8.723404      75.52438 
1 1 1 9  7  14 o 410.9599 19.63518 12.01368       1.138665  14.23838       1.633241  9.909639       1.588330  446.6598 25.94943 371.6611 30.46483 74.99869       40.01848 
1 1 1 9  7  16 o 1557.485 17.80379 171.9598       3.924246  171.9713       5.020166  171.9417       6.292296  1556.635 22.78827 1555.176 28.58971 1.459595       36.56059 
1 1 1 9  7  18 o 1016.456 17.46741 73.21655       2.512678  73.77470       3.179384  72.28795       4.100888  1019.879 22.02798 1008.310 28.76790 11.56854       36.23292 
1 1 1 9  7  20 o 1345.779 20.85956 128.4799       3.972820  134.9100       5.852495  122.9848       5.410349  1377.182 30.02825 1315.122 29.06962 62.05969       41.79400 
1 1 1 9  7  22 o 94.64932 45.06359 -2.097778      1.659543  -4.294014      2.726159  -0.8047470     2.091780  114.0902 55.19775 127.1921 56.84107 -13.10188      79.23193 
1 1 1 9  7  24 o 1165.151 23.51120 96.57030       3.876832  93.18040       5.317363  100.4172       5.664416  1141.167 32.95964 1184.338 33.83022 -43.17078      47.23158 
1 1 1 9  7  26 o 594.8577 31.26376 25.41545       2.622689  28.53093       3.886804  22.81120       3.553633  625.8712 44.16577 558.8779 45.31844 66.99323       63.28014 
1 1 1 9  7  28 o 323.3113 56.77942 8.041497       2.503214  7.184453       3.654255  8.799213       3.435977  294.2765 83.74964 329.5865 75.31571 -35.30997      112.6342 
1 1 1 9  7  30 o 670.2625 32.31396 32.73908       3.056142  35.96193       4.407117  29.75361       4.241703  693.1359 45.17406 627.9521 48.09632 65.18378       65.98448 
1 1 1 9  7  32 o 442.8867 43.64898 14.93873       2.700293  13.55792       3.850715  16.27468       3.787649  400.3506 70.54049 447.8193 61.37828 -47.46869      93.50537 
1 1 1 9  7  34 o 134.4079 63.16877 -1.635686      3.067537  -0.2677596     4.348884  -2.990193      4.327501  168.0809 77.71468 148.4727 71.24956 19.60823       105.4328 
1 1 1 9  7  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  8  1  o 647.4799 11.33002 29.68370       1.038190  30.98707       1.482740  28.43016       1.454123  661.3419 15.84233 633.2419 16.23941 28.09998       22.68695 
1 1 1 9  8  3  o 1013.585 11.06030 72.74183       1.586524  75.58916       2.277156  70.05596       2.211647  1032.911 15.57794 994.3766 15.71611 38.53455       22.12845 
1 1 1 9  8  5  o 436.0132 14.33544 13.48251       0.8833638 14.23361       1.177613  12.51604       1.335820  447.6674 18.62848 419.3508 22.59212 28.31656       29.28181 
1 1 1 9  8  7  o 114.8123 36.38585 0.9255802      0.6631162 0.5267900      0.9014210 1.395913       0.9789441 107.3341 41.59526 140.3376 44.17537 -33.00350      60.67643 
1 1 1 9  8  9  o 490.5890 15.16260 17.07708       1.051452  16.48982       1.474668  17.68436       1.499602  481.3751 21.70247 498.5899 21.30172 -17.21484      30.40988 
1 1 1 9  8  11 o 966.5338 14.73223 66.22655       2.015141  63.18090       3.097899  68.46054       2.653183  942.7476 23.21946 982.0806 19.08975 -39.33295      30.05931 
1 1 1 9  8  13 o 488.9909 21.09617 17.01290       1.456469  18.40387       2.013019  15.48480       2.109912  507.5715 28.13412 464.7159 32.28237 42.85562       42.82149 
1 1 1 9  8  15 o 798.2158 16.68869 45.16317       1.885222  45.84132       2.381316  44.02445       3.085741  803.5134 20.95922 786.4006 27.77014 17.11279       34.79180 
1 1 1 9  8  17 o 577.9398 19.16544 23.70425       1.565381  21.79405       1.933314  27.34043       2.667383  553.5818 24.73998 619.4131 30.52283 -65.83130      39.29007 
1 1 1 9  8  19 o 559.3641 24.61788 22.25498       1.944017  19.98549       2.675058  24.79496       2.829989  528.4096 35.98671 589.1421 34.08815 -60.73248      49.56860 
1 1 1 9  8  21 o 909.0040 22.59439 58.68905       2.906606  60.76844       4.287898  56.92129       3.953552  922.4558 32.89841 893.1259 31.32767 29.32996       45.42828 
1 1 1 9  8  23 o 1623.504 23.30790 187.4278       5.355206  183.9456       7.520865  191.0091       7.627061  1604.340 33.12468 1634.931 32.96385 -30.59155      46.73179 
1 1 1 9  8  25 o 840.7911 25.85174 50.44947       3.072427  51.00434       4.378114  49.91104       4.312758  841.7563 36.84121 832.7288 36.68588 9.027466       51.99162 
1 1 1 9  8  27 o 1158.714 28.72677 96.30264       4.710673  101.7675       6.165787  88.64030       7.300949  1185.499 36.79540 1098.357 47.07870 87.14209       59.75204 
1 1 1 9  8  29 o 568.8740 34.69188 23.64904       2.779675  24.82187       4.092691  22.64477       3.787169  572.5573 51.04383 547.8582 49.37499 24.69916       71.01662 
1 1 1 9  8  31 o 365.1223 48.74981 10.28337       2.456129  10.29643       3.684842  10.27294       3.294780  345.0544 77.37294 351.4794 68.70152 -6.424957      103.4721 
1 1 1 9  8  33 o 251.9225 80.71156 6.124007       3.255693  9.310018       4.634657  3.020271       4.574424  292.6118 96.48840 204.1901 87.79135 88.42169       130.4505 
1 1 1 9  8  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  9  0  o 1252.238 18.65931 111.1396       3.305101  111.1396       3.305101  111.1396       3.305101  1252.238 18.65931 1252.238 18.65931 0.000000       0.000000 
1 1 1 9  9  2  o 1126.831 11.27170 89.91279       1.797496  90.31219       2.534342  89.50848       2.549815  1128.930 15.86275 1123.878 16.03133 5.051636       22.55283 
1 1 1 9  9  4  o 156.4748 30.92310 1.803160       0.6604857 1.720058       0.9070335 1.896964       0.9636732 152.5462 41.09756 159.9708 42.02898 -7.424637      58.78303 
1 1 1 9  9  6  o 849.2521 11.32395 51.08057       1.360989  51.28234       1.910202  50.87254       1.939592  850.5574 15.86923 847.1224 16.17872 3.434998       22.66238 
1 1 1 9  9  8  o 495.8942 16.22569 17.45568       1.137174  17.41287       1.478520  17.51769       1.779357  494.7393 21.16585 495.6404 25.45267 -0.9011230     33.10335 
1 1 1 9  9  10 o 1356.258 13.25588 130.3570       2.544314  129.5337       3.852696  130.9937       3.388283  1350.625 20.15627 1358.776 17.62024 -8.151489      26.77215 
1 1 1 9  9  12 f 448.8604 18.63223 14.32306       1.181001  13.36871       1.845120  14.98539       1.537125  431.9227 30.37929 458.4821 23.77128 -26.55936      38.57428 
1 1 1 9  9  14 o 1441.050 15.48312 147.1783       3.157601  148.1793       4.363762  146.0781       4.574749  1444.901 21.34043 1434.369 22.53650 10.53235       31.03720 
1 1 1 9  9  16 o 1135.355 16.76058 91.34610       2.693026  88.84604       3.359412  95.84158       4.504800  1119.218 21.20942 1161.535 27.40461 -42.31677      34.65331 
1 1 1 9  9  18 o 984.2309 17.61535 68.65551       2.453624  74.21396       3.227446  61.04351       3.776865  1022.808 22.29693 926.3852 28.84360 96.42273       36.45691 
1 1 1 9  9  20 o 533.3185 26.56838 20.27308       1.998950  21.49855       2.969536  19.25766       2.703095  547.0932 38.60154 517.9498 37.12304 29.14343       53.55557 
1 1 1 9  9  22 o 825.9902 24.08984 48.56215       2.812966  48.67299       3.922046  48.44474       4.036701  824.6304 33.67816 822.3853 34.76258 2.245117       48.40099 
1 1 1 9  9  24 o 791.2325 25.96392 44.66471       2.903392  42.37602       4.114966  46.93359       4.097124  767.0759 38.02455 808.1138 35.91477 -41.03784      52.30427 
1 1 1 9  9  26 o 221.0388 71.34337 3.681363       2.540534  1.908748       4.189506  4.712304       3.195011  212.5408 87.17249 247.3526 80.02132 -34.81178      118.3320 
1 1 1 9  9  28 o 322.1876 54.70313 8.002789       2.405149  6.938878       3.423256  9.039948       3.379946  287.8423 80.76592 332.7729 73.71317 -44.93063      109.3470 
1 1 1 9  9  30 o 756.8120 30.78832 41.72278       3.290684  41.09620       4.723689  42.31357       4.586791  738.8566 45.39448 751.7803 43.29513 -12.92371      62.73059 
1 1 1 9  9  32 o 335.7631 56.75259 9.175944       2.600733  14.71171       3.836834  4.470582       3.537372  416.3939 67.41293 223.7619 83.39617 192.6320       107.2354 
1 1 1 9  9  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  9  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  10 1  o 156.4396 30.76474 1.802386       0.6568305 2.818934       0.9313220 0.7963502      0.9264939 195.9468 34.86261 117.2072 42.85649 78.73956       55.24564 
1 1 1 9  10 3  o 447.9599 13.38275 14.22960       0.8474560 13.36397       1.176918  15.16171       1.221280  433.6051 19.22708 461.9544 18.71961 -28.34927      26.83476 
1 1 1 9  10 5  o 615.5656 11.88092 26.84078       1.035010  27.72266       1.458205  25.94542       1.469308  625.0753 16.49857 604.6218 17.18898 20.45355       23.82570 
1 1 1 9  10 7  o 943.1716 12.99504 63.03401       1.734555  64.76881       2.474280  61.35755       2.432322  955.4103 18.29950 929.8843 18.48299 25.52600       26.00947 
1 1 1 9  10 9  o 361.3016 18.58129 9.289277       0.9469002 9.593886       1.362100  9.004392       1.317263  366.1519 26.46479 354.6700 26.43400 11.48196       37.40510 
1 1 1 9  10 11 o 597.7686 19.31972 25.39296       1.632236  22.74316       2.555680  27.21841       2.121217  563.5034 32.18100 618.1505 24.29505 -54.64703      40.32203 
1 1 1 9  10 13 o 467.8972 22.20393 15.57973       1.466086  14.01702       1.905469  17.84710       2.295221  442.5820 30.61062 499.3008 32.66127 -56.71887      44.76347 
1 1 1 9  10 15 o 971.3286 16.40912 66.85895       2.255647  66.60846       2.830176  67.29513       3.734636  969.0943 20.63610 972.8792 27.15154 -3.784851      34.10358 
1 1 1 9  10 17 o 439.6243 22.27345 13.74533       1.381248  13.57310       1.753423  14.02699       2.242274  436.1403 28.56523 442.3177 36.13539 -6.177460      46.06233 
1 1 1 9  10 19 o 452.1649 23.73649 14.55936       1.513594  13.82254       1.838415  16.10971       2.666727  439.7377 29.71585 473.0256 40.21678 -33.28796      50.00421 
1 1 1 9  10 21 o 168.2123 56.29522 1.949887       1.576265  -0.7601003E-02 2.279546  3.743433       2.182002  144.9886 62.14948 223.5469 65.05839 -78.55824      89.97306 
1 1 1 9  10 23 o 533.7047 29.29984 20.38978       2.204534  19.20560       3.043427  21.69701       3.197650  514.7476 42.14683 547.4812 41.58170 -32.73358      59.20636 
1 1 1 9  10 25 o 397.0296 40.80677 11.51172       2.260240  11.27137       3.111194  11.78035       3.289149  386.6061 58.70727 394.5308 60.86460 -7.924652      84.56384 
1 1 1 9  10 27 o 401.0914 63.21524 12.50972       3.469597  12.50972       3.469597  0.000000       0.000000  401.0914 63.21524 ?        ?        ?              ?        
1 1 1 9  10 29 o 163.9563 65.41702 1.429507       2.286959  4.668333       3.335371  -1.444288      3.141798  237.4179 81.85643 145.3097 66.77687 92.10817       105.6391 
1 1 1 9  10 31 o 334.4790 60.32080 9.133333       2.750300  11.57747       3.607019  5.738862       4.250815  367.7897 71.87721 248.7012 91.65407 119.0886       116.4766 
1 1 1 9  10 33 f 275.8426 78.61391 7.410884       3.217579  6.877332       4.547072  7.945975       4.553623  248.6827 94.15318 264.9637 95.27444 -16.28094      133.9479 
1 1 1 9  10 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  11 0  o 576.6227 17.21476 23.61621       1.401958  23.61621       1.401958  23.61621       1.401958  576.6227 17.21476 576.6227 17.21476 0.000000       0.000000 
1 1 1 9  11 2  o 592.6521 12.11585 24.88137       1.016186  23.48957       1.413245  26.37131       1.462215  575.2379 17.37995 609.5775 16.96623 -34.33954      24.28818 
1 1 1 9  11 4  o 1025.353 13.00689 74.49414       1.887413  74.62496       2.628001  74.35478       2.712409  1025.605 18.10612 1023.655 18.72328 1.950867       26.04597 
1 1 1 9  11 6  f 111.9681 39.42884 0.7910008      0.7760844 0.5804583      1.072641  1.022302       1.124277  115.4041 45.18782 130.4180 47.28102 -15.01384      65.40209 
1 1 1 9  11 8  o 1484.005 12.61040 156.0560       2.648402  152.8062       3.692884  159.4975       3.800236  1467.438 17.78222 1499.192 17.91156 -31.75391      25.23948 
1 1 1 9  11 10 o 1233.737 18.45145 108.0277       3.221610  111.4617       5.433353  106.1659       4.000746  1249.889 30.71684 1222.016 23.13366 27.87354       38.45375 
1 1 1 9  11 12 o 950.5557 15.23402 64.04344       2.049330  68.08315       3.303596  61.51651       2.612813  978.8853 23.84709 931.0716 19.82922 47.81372       31.01421 
1 1 1 9  11 14 o 1440.539 17.00502 147.0784       3.466745  145.9474       4.371621  148.9948       5.690590  1434.283 21.53713 1447.925 27.77099 -13.64233      35.14365 
1 1 1 9  11 16 o 855.9313 17.25039 51.91904       2.089573  53.05299       2.662012  50.09875       3.372747  864.5669 21.77395 839.2248 28.43895 25.34210       35.81730 
1 1 1 9  11 18 o 938.0235 17.61888 62.38007       2.338901  61.44011       2.941503  63.99606       3.856844  930.3907 22.34005 948.1605 28.77620 -17.76984      36.43003 
1 1 1 9  11 20 o 962.6008 22.00704 65.82722       2.997972  66.35096       4.297019  65.33049       4.184757  963.9099 31.54251 956.6232 30.95149 7.286682       44.19190 
1 1 1 9  11 22 o 734.1254 24.45707 38.39966       2.537393  35.90846       3.539295  41.03413       3.639640  707.1844 35.47754 756.5005 34.08365 -49.31616      49.19707 
1 1 1 9  11 24 o 710.8658 27.73552 36.14997       2.784900  39.74469       4.017989  32.82646       3.863443  741.7927 38.40498 673.0911 40.74928 68.70160       55.99506 
1 1 1 9  11 26 o 611.8879 33.08710 27.08410       2.854512  24.41673       4.158701  29.46034       3.925191  571.8044 51.95816 632.9884 44.09294 -61.18402      68.14571 
1 1 1 9  11 28 o 668.6177 31.89973 32.52472       3.009748  34.06677       4.510741  31.28726       4.040785  673.1713 47.65617 647.5486 44.36138 25.62274       65.10793 
1 1 1 9  11 30 o 218.3481 75.02686 3.982075       2.801254  2.667591       4.313623  4.940670       3.683680  208.6841 87.27211 238.1526 85.68442 -29.46849      122.3039 
1 1 1 9  11 32 o 321.5952 73.43810 9.430918       3.268714  7.915097       4.471331  11.17085       4.790473  269.7530 94.66899 319.9407 97.22250 -50.18768      135.6998 
1 1 1 9  11 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  11 36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  12 1  o 244.5441 20.71247 4.276998       0.7100823 4.997260       1.011206  3.576336       0.9973533 263.5028 27.52189 221.4852 32.80972 42.01759       42.82444 
1 1 1 9  12 3  o 329.0942 18.95206 7.712703       0.8789331 7.327355       1.217297  8.132404       1.270401  319.6409 27.16720 336.9070 26.86713 -17.26605      38.20863 
1 1 1 9  12 5  f 444.0391 15.77791 14.00054       0.9899188 14.97777       1.403413  13.03288       1.396526  458.6026 21.68508 427.5195 23.16855 31.08310       31.73365 
1 1 1 9  12 7  o 955.1492 11.74320 64.63719       1.587368  62.69078       2.191498  66.78551       2.302356  940.0823 16.47234 970.2544 16.76745 -30.17206      23.50501 
1 1 1 9  12 9  f 696.5395 13.08668 34.38237       1.290015  32.26781       1.908641  36.16071       1.750336  673.8042 20.03796 713.9213 17.32412 -40.11713      26.48858 
1 1 1 9  12 11 o 392.7112 23.07884 10.99257       1.276993  11.13830       2.092144  10.90604       1.612135  392.8878 38.10525 390.2744 29.40476 2.613373       48.13159 
1 1 1 9  12 13 o 450.4919 26.19778 14.46552       1.663005  13.10055       1.902164  18.89286       3.425762  427.8920 31.63563 511.1801 47.91317 -83.28815      57.41503 
1 1 1 9  12 15 o 549.4377 19.25303 21.42846       1.494740  22.84835       1.905110  19.15466       2.410837  566.9134 23.79855 517.7814 33.07335 49.13202       40.74577 
1 1 1 9  12 17 o 490.4117 21.73730 17.09949       1.504893  17.29916       1.854095  16.71399       2.576292  492.6808 26.69141 482.4653 38.03947 10.21555       46.46970 
1 1 1 9  12 19 o 220.8802 43.41671 3.621315       1.308758  2.953035       1.614731  4.900970       2.234435  198.8950 55.34704 254.3377 62.52549 -55.44267      83.50288 
1 1 1 9  12 21 o 424.9655 33.33494 12.99135       1.988774  16.21400       2.886848  10.08036       2.743711  472.4947 43.66629 368.7129 54.19718 103.7818       69.59942 
1 1 1 9  12 23 f 198.7017 61.27515 2.931932       1.893969  1.234733       2.573347  4.937884       2.797642  172.4742 69.19668 253.0440 73.67368 -80.56979      101.0742 
1 1 1 9  12 25 o 383.3440 42.97321 10.83031       2.291259  8.793152       3.272853  12.78845       3.208757  333.6014 71.47434 411.3230 56.62406 -77.72156      91.18588 
1 1 1 9  12 27 o 247.1301 63.95455 4.915151       2.253792  4.925902       3.197100  4.904530       3.177676  244.7447 80.10962 244.2851 79.86022 0.4595642      113.1159 
1 1 1 9  12 29 o 240.3430 66.33830 4.812918       2.330190  3.871071       3.310818  5.737407       3.280169  219.4037 80.88248 255.7191 80.91118 -36.31548      114.4054 
1 1 1 9  12 31 o 326.2799 71.85112 9.429671       3.227854  6.353929       4.383275  13.07375       4.771092  250.7218 92.94985 361.1282 92.84444 -110.4064      131.3764 
1 1 1 9  12 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  12 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  13 0  o 454.5890 20.13780 14.73551       1.289737  14.73551       1.289737  14.73551       1.289737  454.5890 20.13780 454.5890 20.13780 0.000000       0.000000 
1 1 1 9  13 2  o 128.7444 39.08406 1.196424       0.7744430 1.504420       1.098402  0.8919623      1.092081  145.9648 46.89227 125.3039 46.40635 20.66088       65.97298 
1 1 1 9  13 4  o 528.2450 14.78327 19.80083       1.104074  18.76618       1.536273  20.90605       1.587795  513.4769 21.18662 542.0733 20.73568 -28.59644      29.64526 
1 1 1 9  13 6  o 755.6710 11.92826 40.46042       1.275645  38.76923       1.771539  42.28164       1.838385  739.2129 16.93407 771.9857 16.82703 -32.77277      23.87282 
1 1 1 9  13 8  o 1015.035 12.72451 73.00631       1.827855  69.79734       2.689004  75.76266       2.492160  991.5967 19.16181 1033.445 17.03997 -41.84802      25.64246 
1 1 1 9  13 10 o 309.7235 27.01669 6.874611       1.172363  8.965422       1.960184  5.710180       1.462838  351.7250 40.09499 280.1752 37.86132 71.54984       55.14605 
1 1 1 9  13 12 o 624.5671 16.36352 27.66470       1.445112  25.89640       2.246210  28.91350       1.887634  603.1581 26.37855 638.0673 20.93244 -34.90912      33.67484 
1 1 1 9  13 14 o 865.0925 16.68283 53.03389       2.042453  51.65282       2.490019  55.87395       3.570742  853.4236 20.61665 886.2527 28.50666 -32.82916      35.18062 
1 1 1 9  13 16 f 1335.336 17.40640 126.4027       3.289419  124.2549       4.089969  130.3367       5.535221  1323.256 21.84019 1353.811 28.89064 -30.55542      36.21689 
1 1 1 9  13 18 o 626.9446 20.16237 27.93036       1.786592  29.22853       2.246979  25.69899       2.945899  640.6773 24.82921 598.7999 34.91439 41.87744       42.84278 
1 1 1 9  13 20 o 684.1793 20.80537 33.28913       2.012149  36.19868       2.572022  28.69932       3.230426  712.5910 25.54570 631.9282 36.27445 80.66284       44.36686 
1 1 1 9  13 22 o 239.3481 56.89296 4.363195       1.898639  7.219422       2.888443  2.190210       2.519394  305.8448 68.44514 189.6209 70.43679 116.2239       98.21445 
1 1 1 9  13 24 o 179.7361 64.38023 2.154460       2.077049  4.121111       2.896493  0.7267705E-01  2.980072  232.8485 76.25258 163.2177 70.52199 69.63087       103.8644 
1 1 1 9  13 26 o 451.1193 39.49667 15.00683       2.496163  10.84646       3.379426  20.00184       3.702929  369.0162 67.18536 514.3762 51.56252 -145.3600      84.69099 
1 1 1 9  13 28 o 241.0544 65.89407 4.803478       2.311777  5.577850       3.439642  4.165494       3.122074  253.2359 83.10441 225.2157 79.10099 28.02017       114.7315 
1 1 1 9  13 30 o 196.5140 65.55220 3.208375       2.137542  1.450288       2.833415  5.530574       3.256416  169.3417 70.76863 245.2358 80.87967 -75.89413      107.4696 
1 1 1 9  13 32 o 124.6877 59.91492 -2.760675      3.083261  -3.622252      4.475406  -1.982308      4.253808  145.4133 70.44085 151.9646 72.29404 -6.551270      100.9373 
1 1 1 9  13 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  14 1  f 585.7227 16.95322 24.36246       1.403805  23.23854       1.956887  25.55406       2.014946  570.9658 24.27324 598.8635 23.82228 -27.89771      34.01016 
1 1 1 9  14 3  o 417.9759 17.29482 12.41820       1.020817  12.15966       1.429449  12.68727       1.458289  412.6382 24.58972 421.5319 24.55144 -8.893677      34.74806 
1 1 1 9  14 5  o 206.5050 26.09209 3.083612       0.7455427 3.986952       1.068001  2.225004       1.041222  233.9403 33.18917 172.5336 42.84033 61.40666       54.19239 
1 1 1 9  14 7  o 517.5164 15.61433 19.00680       1.142274  18.47777       1.592294  19.56772       1.639582  509.5001 22.13588 524.3376 22.14529 -14.83752      31.31151 
1 1 1 9  14 9  o 576.6164 19.25044 23.61372       1.568694  22.38602       2.449988  24.46674       2.042208  559.7405 31.05006 586.2662 24.66931 -26.52570      39.65704 
1 1 1 9  14 11 o 129.3425 43.66933 1.116484       0.9483817 2.135461       1.532415  0.4839240      1.207383  173.6964 55.34414 118.2215 47.40905 55.47496       72.87381 
1 1 1 9  14 13 o 260.9366 28.77591 4.897308       1.045009  4.562486       1.367471  5.367322       1.620193  249.8085 40.03187 270.6843 43.78900 -20.87573      59.32982 
1 1 1 9  14 15 o 610.3494 20.45781 26.45588       1.764588  27.23171       2.035875  24.11281       3.538032  618.9162 23.28491 578.8911 43.50451 40.02515       49.34399 
1 1 1 9  14 17 o 1309.580 17.70263 121.6500       3.280874  122.6017       4.115605  119.9909       5.434220  1313.791 22.13541 1297.789 29.58785 16.00256       36.95155 
1 1 1 9  14 19 o 1200.250 18.43856 102.2658       3.131976  100.5827       3.909194  105.2829       5.233734  1189.211 23.22783 1214.078 30.48520 -24.86682      38.32597 
1 1 1 9  14 21 o 244.4922 44.50983 4.449415       1.483351  3.354701       1.787098  6.874175       2.659700  210.4456 58.09919 299.5015 64.64734 -89.05583      86.91832 
1 1 1 9  14 23 o 258.4702 58.34689 5.139372       2.083508  5.268194       2.915890  5.004991       2.978147  258.8567 75.17075 252.9901 76.61092 5.866608       107.3307 
1 1 1 9  14 25 o 262.2071 59.84602 5.414181       2.171651  4.428452       3.093001  6.372572       3.049810  236.2630 78.85425 278.6482 75.48431 -42.38521      109.1599 
1 1 1 9  14 27 o 470.6380 38.86720 16.44466       2.565692  12.24000       3.454722  21.61594       3.831300  389.6910 64.92632 530.9222 51.64302 -141.2312      82.96040 
1 1 1 9  14 29 o 227.2054 66.84344 4.397100       2.292568  3.477280       3.174747  5.399445       3.314104  207.8207 78.67487 244.2218 81.62631 -36.40112      113.3693 
1 1 1 9  14 31 o 132.0225 61.60751 -1.250219      2.831742  -0.9643354E-01 3.817552  -2.661663      4.222350  160.8341 73.79949 147.8385 70.79465 12.99556       102.2656 
1 1 1 9  14 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  15 0  o 407.6158 28.39863 11.96964       1.619620  11.96964       1.619620  11.96964       1.619620  407.6158 28.39863 407.6158 28.39863 0.000000       0.000000 
1 1 1 9  15 2  o 448.5470 19.16151 14.30952       1.213545  13.51049       1.681347  15.17844       1.753338  434.6313 27.47545 460.8585 27.00133 -26.22720      38.52236 
1 1 1 9  15 4  o 472.4872 16.37515 15.85197       1.093297  15.93993       1.532397  15.76078       1.560292  473.0064 22.96062 470.2557 23.51975 2.750702       32.86897 
1 1 1 9  15 6  o 432.7233 17.31515 13.30143       1.058226  12.96262       1.473962  13.66185       1.520225  426.3279 24.53358 437.6970 24.64176 -11.36917      34.77230 
1 1 1 9  15 8  o 622.5008 16.10763 27.48560       1.417837  27.49066       2.140546  27.48164       1.892530  621.6046 24.37999 621.8735 21.53658 -0.2689209     32.53011 
1 1 1 9  15 10 o 402.3974 23.32521 11.53228       1.322620  11.49666       2.135192  11.55445       1.684769  399.6073 38.22103 401.9632 29.82912 -2.355865      48.48323 
1 1 1 9  15 12 o 644.8629 14.66622 29.46034       1.338460  31.68169       2.046523  27.79998       1.769326  667.9172 21.67953 625.7925 20.00396 42.12469       29.49848 
1 1 1 9  15 14 o 226.6465 38.51569 3.767507       1.191234  5.215670       1.462158  0.9088421      2.054315  267.3436 39.86260 155.0826 61.95906 112.2611       73.67464 
1 1 1 9  15 16 o 489.3352 21.98075 17.04185       1.518304  17.55328       1.836791  15.93853       2.697868  496.0340 26.25901 469.7902 40.98861 26.24374       48.67855 
1 1 1 9  15 18 o 1021.405 18.11297 74.05400       2.618229  75.65364       3.267903  71.18643       4.375360  1031.526 22.38561 997.9509 31.01791 33.57562       38.25214 
1 1 1 9  15 20 o 381.0296 30.26231 10.44149       1.618456  10.15360       1.935442  11.11088       2.951268  374.2069 37.03183 386.1203 55.61046 -11.91339      66.81227 
1 1 1 9  15 22 o 876.6685 25.22731 54.91525       3.126614  58.24620       4.579046  52.00581       4.279534  898.3690 36.08986 848.9844 35.69827 49.38458       50.76263 
1 1 1 9  15 24 f 326.4707 51.03023 8.093261       2.280586  8.073743       3.332648  8.110451       3.127580  314.5476 75.77052 317.4287 71.36082 -2.881104      104.0843 
1 1 1 9  15 26 o 386.5359 45.40300 11.30088       2.436372  14.46299       3.490976  8.298161       3.401853  428.9641 59.07184 312.0105 77.41352 116.9535       97.37729 
1 1 1 9  15 28 o 285.0241 65.06618 6.805452       2.566614  3.849745       3.201929  12.11830       4.292840  215.7047 79.53737 364.9988 84.73866 -149.2941      116.2189 
1 1 1 9  15 30 o 242.9828 77.49850 5.672101       3.004224  5.596250       4.187788  5.752526       4.312170  233.5443 89.88106 235.4541 91.04941 -1.909821      127.9398 
1 1 1 9  15 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  15 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  16 1  o 151.0276 40.19129 1.691962       0.8740666 1.983736       1.236610  1.400652       1.235624  164.8148 49.24583 145.3061 49.83255 19.50868       70.06022 
1 1 1 9  16 3  o 400.2470 18.36303 11.38839       1.037370  11.44943       1.462680  11.32661       1.471484  400.4005 25.95261 398.1948 26.25857 2.205750       36.91951 
1 1 1 9  16 5  o 359.2484 19.43956 9.182935       0.9846460 8.994995       1.383089  9.376078       1.402106  354.5140 27.78942 362.0209 27.57446 -7.506958      39.14847 
1 1 1 9  16 7  o 923.0378 14.99222 60.37300       1.958417  59.76154       2.971884  60.84235       2.603726  917.4896 22.88816 926.1244 19.86581 -8.634827      30.30706 
1 1 1 9  16 9  o 334.3304 25.98025 7.987462       1.219605  6.781453       1.827928  8.955086       1.637333  304.9350 43.59700 353.1053 33.15302 -48.17038      54.77063 
1 1 1 9  16 11 o 778.7214 15.72564 42.96985       1.733046  44.45060       2.709051  41.94405       2.254797  790.8956 24.23209 768.6934 20.74587 22.20227       31.89961 
1 1 1 9  16 13 f 193.4866 39.78947 2.772441       1.053126  4.568836       1.373248  0.2074278      1.640941  249.7469 40.21901 128.0150 53.70123 121.7318       67.09241 
1 1 1 9  16 15 o 246.8529 37.81446 4.458734       1.279026  3.871927       1.517590  5.897586       2.376375  227.5806 48.59744 279.2323 61.77393 -51.65172      78.59853 
1 1 1 9  16 17 o 894.6819 18.08953 56.82143       2.290424  57.67729       2.813866  55.14095       3.942914  900.6935 22.07530 877.8817 31.78917 22.81183       38.70232 
1 1 1 9  16 19 o 463.4007 25.75847 15.35474       1.682614  15.90223       2.040636  14.19193       2.973950  470.5759 30.81141 439.5728 48.61766 31.00305       57.55884 
1 1 1 9  16 21 o 461.1796 28.26642 15.27267       1.835986  13.36277       2.201446  19.63586       3.327399  429.0988 36.60098 517.3660 45.92167 -88.26712      58.72335 
1 1 1 9  16 23 o 385.7195 42.38581 11.00937       2.275646  16.03443       3.391181  6.892874       3.069334  461.1665 52.91811 291.5737 74.20789 169.5929       91.14351 
1 1 1 9  16 25 o 213.2911 65.57677 3.665617       2.171203  7.760313       3.159413  0.1276559E-02  2.988777  303.9372 74.12622 157.6290 69.31398 146.3082       101.4846 
1 1 1 9  16 27 o 163.9274 68.24277 1.210411       2.619921  0.7108070      3.229787  2.171654       4.479997  168.3024 73.06573 203.6734 87.21204 -35.37094      113.7741 
1 1 1 9  16 29 o 224.6251 69.15334 4.527701       2.413514  3.013144       3.016649  7.221454       4.023101  192.9749 75.71536 264.1615 89.93546 -71.18665      117.5636 
1 1 1 9  16 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  16 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  17 0  o 150.3345 58.80536 2.210410       1.195807  2.210410       1.195807  2.210410       1.195807  150.3345 58.80536 150.3345 58.80536 0.000000       0.000000 
1 1 1 9  17 2  o 392.6764 19.14515 10.96344       1.060724  10.14162       1.482735  11.82489       1.518070  376.5672 28.02372 406.9874 26.50082 -30.42023      38.56970 
1 1 1 9  17 4  o 560.9152 15.93437 22.31706       1.263605  23.56459       1.815907  21.14590       1.759446  575.7332 22.32939 545.2780 22.85082 30.45520       31.94936 
1 1 1 9  17 6  o 213.6621 31.17666 3.316399       0.9149422 2.751797       1.217570  4.048765       1.386715  192.2171 45.47454 234.2489 43.42897 -42.03175      62.88091 
1 1 1 9  17 8  o 497.6378 19.27328 17.58702       1.354774  16.77886       1.900358  18.42223       1.931911  485.0871 27.79829 508.4742 26.94333 -23.38715      38.71290 
1 1 1 9  17 10 o 610.3982 15.40204 26.41815       1.329426  27.19484       1.876032  25.63470       1.884181  618.7244 21.45759 600.6079 22.20547 18.11652       30.87897 
1 1 1 9  17 12 o 410.0283 18.40903 11.94819       1.065505  8.999763       1.537335  14.67382       1.478112  354.1325 30.98676 453.9669 23.08295 -99.83438      38.63939 
1 1 1 9  17 14 o 279.6025 33.43991 5.661866       1.296994  6.508983       1.534228  3.540241       2.428021  299.3521 37.00182 219.9739 69.61382 79.37822       78.83666 
1 1 1 9  17 16 o 511.5127 21.79944 18.63560       1.574435  18.83352       1.896970  18.19742       2.822566  513.4887 26.19067 501.5684 40.09806 11.92029       47.89368 
1 1 1 9  17 18 o 265.3387 41.40573 5.193069       1.504072  6.208811       1.815790  2.972633       2.684684  289.4631 45.85155 208.4062 73.33869 81.05693       86.49236 
1 1 1 9  17 20 o 239.0725 48.62841 4.317430       1.589201  3.601594       1.889902  6.045532       2.936413  216.7154 59.71451 276.9387 73.65141 -60.22334      94.81747 
1 1 1 9  17 22 o 356.2714 37.42651 9.312644       1.858892  9.620401       2.267670  8.682209       3.245608  359.1637 45.64313 329.3447 71.67513 29.81900       84.97423 
1 1 1 9  17 24 o 158.6597 63.58847 1.269939       2.170781  -1.049956      2.835277  4.556276       3.374562  141.7465 64.48978 235.6869 82.27668 -93.94035      104.5389 
1 1 1 9  17 26 o 181.3958 71.09303 2.187066       2.657058  -1.601521      3.400586  8.125588       4.257497  147.4844 68.37622 292.2085 92.14454 -144.7241      114.7429 
1 1 1 9  17 28 o 262.6786 67.65154 6.078316       2.530135  5.044391       3.206084  7.785328       4.119541  232.0435 80.24287 275.5867 90.97258 -43.54324      121.3051 
1 1 1 9  17 30 o 142.1391 64.67975 -0.9109098E-01 2.853575  -2.591956      3.913239  2.748898       4.170129  140.4363 67.48673 188.6809 82.45038 -48.24461      106.5482 
1 1 1 9  17 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  18 1  o 88.35584 37.70863 -0.1622809E-01 0.8325514 0.8382833E-01  1.190504  -0.1119991     1.164730  107.8325 45.51665 102.3824 44.16177 5.450127       63.41946 
1 1 1 9  18 3  o 224.9917 28.19364 3.654651       0.8780564 3.513374       1.244413  3.794729       1.239122  218.1150 41.83581 227.2312 39.99226 -9.116196      57.87587 
1 1 1 9  18 5  o 568.8986 14.91266 22.94714       1.199596  22.62308       1.586167  23.38016       1.833569  564.4238 19.88854 573.5035 22.63577 -9.079651      30.13192 
1 1 1 9  18 7  o 344.9365 22.63826 8.480931       1.098993  10.55837       1.656671  6.848225       1.468677  383.9901 30.74232 308.1610 34.25481 75.82910       46.02698 
1 1 1 9  18 9  o 102.5524 41.21342 0.3512845      0.9144868 1.595453       1.323780  -0.7844794     1.264795  153.5379 51.59239 94.46983 43.01638 59.06807       67.17279 
1 1 1 9  18 11 o 466.1855 16.33441 15.42807       1.075996  13.72934       1.573898  16.91870       1.474350  438.6830 25.46105 487.6674 21.41497 -48.98444      33.26959 
1 1 1 9  18 13 o 808.7460 16.06615 46.39075       1.838839  47.31436       2.400272  45.07855       2.861002  815.8491 20.80584 795.4234 25.44833 20.42572       32.87097 
1 1 1 9  18 15 o 490.6040 22.73570 17.15923       1.574261  16.28533       1.881920  19.19603       2.873059  476.9927 28.00168 515.1825 39.71241 -38.18979      48.59187 
1 1 1 9  18 17 o 359.0085 30.61288 9.285753       1.540528  10.70020       1.843691  6.013916       2.804081  384.7542 34.21636 278.1475 71.00290 106.6067       78.81733 
1 1 1 9  18 19 f 659.1475 22.13962 30.99402       2.062319  31.98394       2.514338  28.95883       3.605179  668.4034 26.63395 631.1018 40.58031 37.30164       48.53997 
1 1 1 9  18 21 o 564.0575 25.91801 22.84761       2.063396  22.52284       2.510753  23.52336       3.621630  557.9197 31.93230 563.7816 45.78511 -5.861877      55.82068 
1 1 1 9  18 23 o 193.3461 61.29817 2.928727       1.881841  2.198138       2.147826  5.342587       3.904081  177.6109 65.20187 251.4087 88.44207 -73.79782      109.8785 
1 1 1 9  18 25 o 230.1537 70.86586 4.503740       2.534418  4.613755       3.174705  4.310427       4.208330  231.3582 79.85650 229.4020 89.59865 1.956268       120.0207 
1 1 1 9  18 27 o 184.5620 69.40520 2.682254       2.461389  3.459586       3.145101  1.453674       3.953964  203.3550 77.98694 183.2912 80.18575 20.06381       111.8558 
1 1 1 9  18 29 o 191.4407 72.92171 3.370150       2.737663  3.755456       3.941592  3.011032       3.805286  199.7183 83.46610 189.8349 80.80476 9.883469       116.1723 
1 1 1 9  18 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  19 0  o 379.7130 26.39764 10.37063       1.402516  10.37063       1.402516  10.37063       1.402516  379.7130 26.39764 379.7130 26.39764 0.000000       0.000000 
1 1 1 9  19 2  f 355.4278 19.36213 8.985894       0.9702442 10.22062       1.393165  7.823019       1.352025  378.3693 26.17898 330.3725 29.21842 47.99680       39.23079 
1 1 1 9  19 4  f 134.1568 40.22929 1.299102       0.8241171 1.515292       1.171057  1.086985       1.159977  148.0892 48.48435 133.8006 48.08955 14.28860       68.28863 
1 1 1 9  19 6  o 159.3555 40.54842 1.885396       0.9165544 3.257573       1.338264  0.6731202      1.257875  209.1113 46.43131 124.9064 48.92667 84.20489       67.45135 
1 1 1 9  19 8  o 530.7395 17.14548 19.99488       1.286118  18.46886       1.850825  21.41981       1.788467  509.0306 25.77612 548.6607 23.08494 -39.63010      34.60236 
1 1 1 9  19 10 o 323.8472 21.34560 7.481221       0.9728363 6.648598       1.421008  8.215715       1.334646  303.2917 33.67360 338.4893 28.11487 -35.19754      43.86749 
1 1 1 9  19 12 o 277.8053 24.18465 5.532938       0.9413565 5.383639       1.454038  5.640670       1.235144  271.1841 39.00800 279.2110 31.82586 -8.026947      50.34391 
1 1 1 9  19 14 o 223.2941 43.65786 3.718823       1.330160  3.466995       1.557060  4.398962       2.558891  214.0850 51.93075 240.2380 70.60371 -26.15300      87.64523 
1 1 1 9  19 16 o 316.9861 34.74688 7.298181       1.533232  5.676787       1.803109  11.53138       2.913479  275.6978 47.95383 393.5045 53.71796 -117.8066      72.00826 
1 1 1 9  19 18 f 476.4133 25.92721 16.26695       1.741485  17.11343       2.061102  14.15469       3.255849  487.6512 30.01092 435.0498 54.04329 52.60144       61.81693 
1 1 1 9  19 20 o 132.7442 54.71846 0.5339917      1.661519  1.324859       2.013384  -1.154478      2.941854  158.5724 61.96254 145.7964 66.07874 12.77600       90.58563 
1 1 1 9  19 22 o 288.8487 47.54234 6.395400       1.875883  7.693106       2.164212  2.475211       3.761536  316.1433 50.03590 204.5372 83.08640 111.6061       96.98938 
1 1 1 9  19 24 f 158.0867 66.09937 1.009450       2.473772  -0.1879248     3.102178  3.100626       4.099651  155.2847 69.32015 211.6542 86.45370 -56.36955      110.8130 
1 1 1 9  19 26 o 148.7414 64.25484 0.6007423      2.473001  -1.093235      3.132258  3.404277       4.029552  143.1412 66.10220 208.0016 85.42139 -64.86043      108.0107 
1 1 1 9  19 28 o 141.6938 62.08126 0.5893506      2.377977  -1.958452      3.019701  4.748707       3.858283  128.2505 60.98360 213.5544 85.04712 -85.30388      104.6519 
1 1 1 9  19 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  19 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  20 1  o 145.7186 42.36927 1.551217       0.9258252 0.6392202      1.307406  2.468558       1.311231  125.6912 49.68281 182.2660 49.54535 -56.57482      70.16497 
1 1 1 9  20 3  o 412.7616 17.78395 12.10468       1.036399  11.96650       1.477522  12.23852       1.454138  409.4988 25.62381 414.2380 24.92005 -4.739227      35.74337 
1 1 1 9  20 5  o 241.2380 28.36545 4.198697       0.9499170 3.423638       1.416301  4.832430       1.280684  214.0327 47.95005 257.6493 36.11341 -43.61658      60.02821 
1 1 1 9  20 7  o 502.1408 17.00111 17.90461       1.206413  19.20455       1.754723  16.73934       1.661354  519.1971 23.94570 484.6033 24.30213 34.59378       34.11730 
1 1 1 9  20 9  o 296.0626 23.50319 6.273054       0.9766837 4.823662       1.404889  7.628798       1.358745  256.2546 40.04913 325.6663 29.81155 -69.41171      49.92656 
1 1 1 9  20 11 o 447.5044 17.29133 14.23603       1.093019  13.82196       1.613415  14.58726       1.485963  439.6467 26.04793 452.1591 23.30044 -12.51233      34.94861 
1 1 1 9  20 13 o 351.4955 26.59297 8.862689       1.313023  9.068300       1.640006  8.495576       2.191401  354.2747 33.09327 339.2717 46.89346 15.00296       57.39478 
1 1 1 9  20 15 o 322.1862 33.77108 7.532146       1.516972  6.327569       1.763496  10.95977       2.974774  292.3700 43.98198 381.9982 56.74836 -89.62814      71.79688 
1 1 1 9  20 17 o 234.8097 48.05738 4.176178       1.543125  4.787463       1.822625  2.628850       2.899792  250.3519 53.09147 202.2864 75.48460 48.06552       92.28558 
1 1 1 9  20 19 o 195.1638 58.28162 2.936650       1.732406  3.675457       1.955930  0.2471243      3.731862  216.4935 61.15693 179.7994 78.29290 36.69415       99.34761 
1 1 1 9  20 21 o 207.6115 58.10303 3.441888       1.774095  1.491213       1.987479  11.09092       3.935622  159.0935 61.73318 360.8600 79.23891 -201.7666      100.4480 
1 1 1 9  20 23 o 108.6288 49.85795 -0.9313583     1.743956  -1.601844      1.961142  1.602767       3.812662  108.0852 50.70602 188.8062 80.64050 -80.72096      95.25750 
1 1 1 9  20 25 o 166.9490 67.35239 1.753315       2.452562  2.510848       3.193852  0.6646857      3.828725  188.4496 76.55711 173.3667 77.22627 15.08292       108.7423 
1 1 1 9  20 27 o 252.1143 68.53511 5.963628       2.508932  4.721464       3.183923  7.998461       4.075091  215.9339 79.36633 264.5418 90.50460 -48.60797      120.3748 
1 1 1 9  20 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  20 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  21 0  o 222.6372 52.72267 4.074258       1.442248  4.074258       1.442248  4.074258       1.442248  222.6372 52.72267 222.6372 52.72267 0.000000       0.000000 
1 1 1 9  21 2  o 296.4064 25.40842 6.295651       1.055551  7.441960       1.492060  5.147146       1.493489  321.1295 33.31464 264.8221 41.18837 56.30740       52.97496 
1 1 1 9  21 4  o 450.8701 17.23630 14.44340       1.097779  14.22228       1.552071  14.66476       1.552917  446.4440 24.66126 453.4120 24.28976 -6.968048      34.61460 
1 1 1 9  21 6  o 524.4552 16.55860 19.53347       1.227460  19.70389       1.808612  19.38794       1.671289  525.6368 24.37947 521.6683 22.69225 3.968445       33.30611 
1 1 1 9  21 8  o 241.0885 32.11895 4.227983       1.068627  3.684628       1.572129  4.694650       1.456967  220.9208 51.27460 251.9798 42.35801 -31.05896      66.50779 
1 1 1 9  21 10 o 73.30324 34.43666 -0.9474579     0.9100030 -1.913827      1.347283  -0.1367161     1.234038  82.75208 39.72279 104.4035 45.24527 -21.65146      60.20826 
1 1 1 9  21 12 o 221.3864 30.42296 3.570785       0.9279944 2.276325       1.453559  4.461406       1.205688  175.6034 53.59288 246.7818 35.54631 -71.17841      64.30970 
1 1 1 9  21 14 o 373.7242 28.07988 10.04627       1.474275  9.560225       1.694905  11.55713       2.988259  363.3038 33.33648 392.4879 55.33229 -29.18414      64.59863 
1 1 1 9  21 16 o 226.1021 48.23107 3.888118       1.496212  4.101050       1.756900  3.326026       2.854498  230.7280 54.65196 214.8285 75.62061 15.89952       93.30226 
1 1 1 9  21 18 o 114.8612 50.63429 -0.3031038     1.604234  -1.315903      1.766933  4.449080       3.827410  106.3424 49.29709 240.4714 87.22911 -134.1290      100.1954 
1 1 1 9  21 20 o 166.9635 58.50523 2.029300       1.707266  1.768508       1.910372  3.063841       3.804913  163.5263 61.21809 212.2625 84.48172 -48.73618      104.3303 
1 1 1 9  21 22 o 158.0812 58.83461 1.721977       1.759384  0.9555364      1.978900  4.613056       3.843393  145.9309 59.88862 231.1910 86.77294 -85.26006      105.4333 
1 1 1 9  21 24 f 116.5060 51.95459 -0.2648034     1.737822  0.3537014      2.020088  -2.025761      3.408577  134.2954 58.04412 140.6173 66.24239 -6.321915      88.07482 
1 1 1 9  21 26 o 100.8206 49.23013 -3.245076      2.307684  -1.240286      3.007008  -6.117611      3.599423  134.1267 62.87959 115.4593 57.32931 18.66746       85.09109 
1 1 1 9  21 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  21 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  22 1  o 132.3740 44.77984 1.183374       0.9972417 1.237008       1.364627  1.121903       1.460917  142.9766 52.05292 142.3479 53.48332 0.6286926      74.63224 
1 1 1 9  22 3  o 109.2865 42.35297 0.5583463      0.9345793 1.134315       1.320211  -0.2021913E-01 1.323184  138.8487 51.09418 110.6496 47.38854 28.19907       69.68708 
1 1 1 9  22 5  o 370.1743 21.72427 9.779448       1.133073  11.73322       1.693137  8.194741       1.524857  404.1721 29.81075 336.8763 32.38288 67.29584       44.01513 
1 1 1 9  22 7  o 70.93770 34.21582 -1.581411      1.028062  -1.371427      1.562637  -1.741662      1.365101  98.71989 45.96615 85.50594 40.75534 13.21395       61.43195 
1 1 1 9  22 9  o 233.8242 31.89868 3.986383       1.028063  3.178832       1.510039  4.684094       1.403592  204.7041 52.02392 251.7136 40.79695 -47.00941      66.11263 
1 1 1 9  22 11 o 135.0782 43.82173 1.288725       0.9577681 0.9137410      1.415293  1.605543       1.300903  135.0686 52.18026 152.1040 51.14492 -17.03539      73.06561 
1 1 1 9  22 13 o 338.5927 27.82476 8.260260       1.321549  9.186218       1.598198  6.258163       2.350050  356.1869 32.04767 284.9398 60.16851 71.24704       68.17113 
1 1 1 9  22 15 o 106.8779 47.46925 -0.4159327     1.435840  0.2517846      1.568159  -3.879173      3.571373  124.2405 52.32999 138.7267 66.06564 -14.48615      84.27987 
1 1 1 9  22 17 o 173.9915 55.66588 2.284892       1.549043  2.531096       1.704622  1.117817       3.711333  182.3757 58.39920 188.1348 79.93075 -5.759155      98.99187 
1 1 1 9  22 19 o 107.5909 48.24052 -0.4784341     1.520121  -0.9136566     1.693279  1.329000       3.450675  107.6219 49.29607 182.2733 77.24126 -74.65144      91.63141 
1 1 1 9  22 21 o 267.9948 52.96320 5.748063       1.937479  5.748063       1.937479  0.000000       0.000000  267.9948 52.96320 ?        ?        ?              ?        
1 1 1 9  22 23 o 117.8920 51.94284 -0.6209078E-01 1.686128  2.433176       1.953528  -7.351232      3.338868  174.7037 62.45285 106.9732 53.44891 67.73046       82.20185 
1 1 1 9  22 25 o 142.6335 61.86111 0.7542851      2.310498  4.958112       3.115687  -4.382173      3.444001  220.1597 78.85184 120.8790 59.25899 99.28074       98.63691 
1 1 1 9  22 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  22 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  23 0  o 79.97291 52.32276 -0.1636304     1.464158  -0.1636304     1.464158  -0.1636304     1.464158  79.97291 52.32276 79.97291 52.32276 0.000000       0.000000 
1 1 1 9  23 2  o 121.5313 45.21926 0.8356109      1.039167  1.937707       1.477605  -0.2429319     1.461731  165.4677 54.47725 111.7897 48.83326 53.67796       73.16049 
1 1 1 9  23 4  o 161.4841 43.99628 1.950743       1.032584  2.000654       1.571005  1.912781       1.370110  168.6336 56.19646 163.1417 52.36816 5.491867       76.81449 
1 1 1 9  23 6  o 191.1312 41.23156 2.738074       1.082474  1.824883       1.523282  3.669636       1.538529  162.6696 55.34090 220.0045 50.48674 -57.33490      74.91013 
1 1 1 9  23 8  o 120.3283 45.22481 0.7973519      1.044766  1.013195       1.559103  0.6214340      1.407539  141.6412 54.75438 127.5954 51.18126 14.04579       74.95041 
1 1 1 9  23 10 o 136.0828 44.56278 1.305248       0.9892575 1.074086       1.434055  1.515124       1.366436  139.4831 52.86015 150.2653 52.36213 -10.78212      74.40422 
1 1 1 9  23 12 f 84.85609 37.92794 -0.3634576     0.9317668 -1.024272      1.309860  0.3134538      1.325717  91.92720 42.55540 117.1031 48.62985 -25.17590      64.62062 
1 1 1 9  23 14 o 114.6550 48.04174 0.2485127      1.310989  0.4492150      1.406789  -1.076349      3.614415  122.5476 50.41528 163.0988 73.64735 -40.55121      89.25040 
1 1 1 9  23 16 o 98.48766 45.00508 -0.7915217     1.400288  -1.398948      1.509122  2.969950       3.755401  94.66878 44.43364 212.7306 84.16683 -118.0619      95.17564 
1 1 1 9  23 18 o 124.0498 51.42257 0.5012674      1.478640  0.2825236      1.613632  1.646981       3.692960  123.8743 52.66983 188.9602 79.98335 -65.08598      95.76768 
1 1 1 9  23 20 o 129.4132 52.84924 0.7278114      1.531577  0.2310880      1.699533  2.874880       3.533419  124.4544 53.51038 199.9411 80.77837 -75.48677      96.89431 
1 1 1 9  23 22 o 123.3809 56.65418 -0.8520209     2.255257  -2.495846      2.891154  1.702776       3.604306  124.1768 59.22186 179.9303 77.64932 -55.75353      97.65575 
1 1 1 9  23 24 o 147.9175 63.43792 1.062490       2.377334  1.188565       3.068702  0.8732455      3.759674  159.7298 70.23631 164.8498 74.70895 -5.120041      102.5406 
1 1 1 9  23 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  23 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  24 1  o 137.4379 46.70214 1.286293       1.084791  1.354461       1.540088  1.219169       1.528233  149.7874 55.17389 145.9666 54.73132 3.820740       77.71535 
1 1 1 9  24 3  o 321.0508 25.30696 7.402341       1.140538  7.034018       1.626870  7.758335       1.599410  310.0778 37.85743 326.5599 35.16148 -16.48215      51.66735 
1 1 1 9  24 5  o 198.5584 42.33809 2.964422       1.153357  2.049345       1.696109  3.751504       1.573023  171.3163 58.39392 221.9346 51.13493 -50.61829      77.61850 
1 1 1 9  24 7  o 255.4492 35.98977 4.795035       1.265060  6.439152       2.102317  3.861771       1.583924  291.5117 52.90711 225.0163 50.93058 66.49545       73.43763 
1 1 1 9  24 9  o 173.0025 45.39975 2.269143       1.125300  4.347119       1.629881  0.3763810      1.555549  238.9379 49.81673 126.6109 52.63583 112.3269       72.47231 
1 1 1 9  24 11 o 53.27329 26.94481 -3.377925      0.9947060 -2.281120      1.430598  -4.404460      1.384012  82.09572 39.78228 64.25603 32.41331 17.83968       51.31522 
1 1 1 9  24 13 o 117.2918 47.52925 0.5057448      1.227427  0.8668481      1.378547  -0.8756932     2.696320  131.1882 51.26883 141.2900 63.72205 -10.10175      81.78626 
1 1 1 9  24 15 f 97.25775 43.88251 -0.5324624     1.280328  0.4893109      1.375531  -7.156788      3.502386  121.0965 49.83871 114.8884 56.96016 6.208122       75.68591 
1 1 1 9  24 17 o 117.7602 48.81715 0.4444644      1.332668  -0.1358905     1.440484  3.891785       3.510771  109.8495 48.21810 218.4523 82.72601 -108.6028      95.75269 
1 1 1 9  24 19 f 146.7653 53.78949 1.518302       1.460802  1.885147       1.574568  -0.7486495     3.914185  158.3455 56.12527 162.3275 74.57430 -3.982086      93.33474 
1 1 1 9  24 21 f 114.8513 53.99792 -1.566287      2.245204  -0.6072215     2.907950  -2.981883      3.532909  141.1387 64.63078 134.3046 64.43118 6.834061       91.26069 
1 1 1 9  24 23 o 125.9841 57.62031 -0.3995622     2.301927  1.873138       3.007552  -3.613962      3.576778  166.6851 71.41713 126.7519 61.75935 39.93324       94.41729 
1 1 1 9  24 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  24 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  25 0  o 216.6019 63.92955 4.161168       1.703549  4.161168       1.703549  4.161168       1.703549  216.6019 63.92955 216.6019 63.92955 0.000000       0.000000 
1 1 1 9  25 2  o 237.1671 39.72472 4.182894       1.286213  3.412822       1.747097  5.094169       1.900534  210.5384 57.17332 258.0325 53.79100 -47.49414      78.50006 
1 1 1 9  25 4  o 112.8682 47.66514 0.1537014      1.306566  1.295858       1.916026  -0.8390440     1.786313  156.5387 60.64863 114.1245 51.63061 42.41419       79.64909 
1 1 1 9  25 6  o 144.5687 51.40073 1.372869       1.321543  0.4713710      2.099046  1.964871       1.700989  144.9716 60.77023 168.2022 58.43309 -23.23062      84.30567 
1 1 1 9  25 8  o 82.95815 39.19474 -1.317496      1.209376  -3.432320      1.759285  0.5772237      1.665220  85.52964 42.01543 133.7779 54.92325 -48.24824      69.15099 
1 1 1 9  25 10 o 108.0713 44.07607 0.3799249      1.063594  -1.633442      1.489593  2.473957       1.519141  91.35734 43.26303 179.8831 54.76665 -88.52573      69.79309 
1 1 1 9  25 12 o 105.4406 41.54507 0.5102489      0.9115611 1.012164       1.325724  0.6014804E-01  1.255431  132.8915 50.71474 107.6631 46.13546 25.22835       68.55994 
1 1 1 9  25 14 o 105.2909 43.53816 0.3231404      1.056352  0.1780157E-01  1.144412  2.081249       2.746087  101.6774 43.81566 181.6968 71.94623 -80.01940      84.23818 
1 1 1 9  25 16 o 126.6306 46.45306 1.055686       1.089890  1.153762       1.145723  0.1223349      3.534438  130.9304 47.69131 165.6373 73.96349 -34.70682      88.00601 
1 1 1 9  25 18 o 106.6038 50.97218 -2.292444      2.171123  -1.609869      2.848339  -3.238973      3.354161  131.4898 61.49935 130.2624 62.56717 1.227402       87.73153 
1 1 1 9  25 20 o 196.4960 67.98008 3.443703       2.301149  1.956634       2.842778  6.270042       3.919129  171.3695 71.19221 242.8710 88.24377 -71.50146      113.3812 
1 1 1 9  25 22 o 150.6299 62.96886 1.478786       2.244326  2.173659       2.999866  0.5954200      3.382358  169.0744 71.84853 154.5680 70.36752 14.50642       100.5674 
1 1 1 9  25 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  25 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  26 1  o 101.4191 45.84942 -0.6604470     1.405661  -1.554431      2.051889  0.1301173      1.929557  114.1259 52.98052 133.6054 57.22301 -19.47948      77.98339 
1 1 1 9  26 3  o 125.6465 52.00414 0.4332559      1.509050  -1.939182      2.628808  1.599266       1.842946  128.5115 59.76399 160.8586 60.14666 -32.34714      84.79006 
1 1 1 9  26 5  o 169.5240 57.83527 2.069188       1.663875  3.545123       3.975902  1.755820       1.832014  227.2680 87.54843 164.0508 60.21882 63.21722       106.2593 
1 1 1 9  26 7  o 109.1817 48.49391 -0.3893786     1.498607  -1.709203      2.925022  0.8037112E-01  1.745036  138.4191 63.90607 126.0909 54.21812 12.32819       83.80687 
1 1 1 9  26 9  o 142.7983 48.45473 1.456509       1.167695  -0.3726794E-01 1.650926  2.951892       1.651814  120.3044 52.23325 193.6758 56.67326 -73.37141      77.07249 
1 1 1 9  26 11 o 133.3294 44.48133 1.288320       0.9842220 0.2354607E-01  1.407638  2.498071       1.376679  112.1227 48.45676 178.1838 51.62388 -66.06110      70.80313 
1 1 1 9  26 13 o 123.5144 46.06185 0.9579657      1.079445  0.9025890      1.159111  1.319782       2.962820  123.9495 47.39182 171.0727 71.98540 -47.12320      86.18516 
1 1 1 9  26 15 o 106.6537 50.96169 -2.305159      2.162430  -4.289513      2.838897  0.4374978      3.337535  111.2394 54.37891 164.0032 72.63142 -52.76385      90.73251 
1 1 1 9  26 17 o 169.6519 64.67741 2.173062       2.154798  -0.1710286     2.816116  5.483921       3.346830  144.5310 65.15852 237.5240 81.99239 -92.99298      104.7300 
1 1 1 9  26 19 o 147.3093 61.82420 1.147838       2.176496  2.546166       2.795247  -1.005436      3.468689  178.3619 71.92269 145.5204 67.99793 32.84146       98.97774 
1 1 1 9  26 21 o 146.7534 63.08315 1.231019       2.360942  -0.2530076     2.980753  3.729487       3.867604  138.6080 64.17579 190.1610 81.21931 -51.55295      103.5138 
1 1 1 9  26 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  26 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  27 0  o 80.37590 55.09507 -1.190027      2.005577  -1.190027      2.005577  -1.190027      2.005577  80.37590 55.09507 80.37590 55.09507 0.000000       0.000000 
1 1 1 9  27 2  o 127.7492 53.06719 0.4675708      1.579379  5.340665       2.674504  -2.141756      1.957064  254.4778 71.38330 103.6155 49.21938 150.8622       86.70711 
1 1 1 9  27 4  o 116.1492 50.79996 -0.1454883     1.586087  1.037125       2.834219  -0.6847304     1.913832  168.8308 70.68266 119.1562 53.71741 49.67452       88.77837 
1 1 1 9  27 6  o 101.3955 46.97972 -1.135352      1.601616  -0.5159061     3.856194  -1.264485      1.760659  169.5345 76.35531 105.7527 49.08776 63.78175       90.77302 
1 1 1 9  27 8  o 144.3331 53.49379 1.368380       1.451623  0.6840675      2.963290  1.584445       1.665094  163.9356 70.57380 153.9410 57.24741 9.994644       90.87314 
1 1 1 9  27 10 o 128.0621 49.74602 0.9244131      1.291649  -0.5781438     2.833521  1.318534       1.451195  143.9852 65.09415 142.1821 53.32945 1.803070       84.15033 
1 1 1 9  27 12 o 92.15126 40.89377 -0.2354391     1.063343  0.7254212      2.755121  -0.4036192     1.152651  157.1118 67.84568 92.89838 41.80072 64.21341       79.68900 
1 1 1 9  27 14 o 122.5016 54.89418 -0.3044972     1.965260  0.2166837      2.744905  -0.8526418     2.815014  148.4147 65.79073 137.7193 63.25933 10.69537       91.26972 
1 1 1 9  27 16 o 118.6889 54.47895 -0.7553065     2.082687  -3.656272      2.674172  3.716948       3.320330  109.0751 53.20268 202.9409 79.49163 -93.86583      95.65273 
1 1 1 9  27 18 o 125.3999 56.41676 -0.8947113E-01 2.098766  -1.328083      2.841760  1.396826       3.112952  128.8436 60.63041 162.3124 71.07483 -33.46875      93.42204 
1 1 1 9  27 20 o 162.4658 64.22178 2.335544       2.184643  3.076337       2.917229  1.389591       3.296528  177.2658 72.72726 157.5652 70.81194 19.70065       101.5066 
1 1 1 9  27 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  27 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  28 1  o 124.8750 52.25005 0.4433914      1.547403  3.927894       2.229393  -2.795870      2.149509  217.4721 66.37208 103.1135 49.66997 114.3585       82.89969 
1 1 1 9  28 3  o 105.5738 47.97486 -0.6854794     1.563215  -3.183615      2.610517  0.7110712      1.951852  114.0230 54.87751 141.1212 58.83785 -27.09821      80.45765 
1 1 1 9  28 5  o 144.7705 57.04678 1.188040       1.718874  6.826955       3.993824  -0.9390783E-01 1.904260  268.8886 89.60125 125.7563 55.31183 143.1323       105.2985 
1 1 1 9  28 7  o 136.7459 53.42595 1.083363       1.496650  -0.2874454     2.871721  1.594542       1.753639  147.4331 66.18873 154.1107 58.44256 -6.677673      88.29768 
1 1 1 9  28 9  o 103.3171 46.34509 -0.3865894     1.404740  -2.955479      2.827115  0.4555658      1.618702  120.1436 57.63743 125.6901 53.06567 -5.546532      78.34564 
1 1 1 9  28 11 o 74.90490 35.90364 -1.384327      1.091737  -3.174459      2.718200  -1.040009      1.192115  114.8352 55.45029 84.11877 39.48509 30.71639       68.07207 
1 1 1 9  28 13 o 122.7678 55.03951 -0.2365197     1.978229  -0.8643620     2.753671  0.4330849      2.843780  134.6534 62.10976 151.1509 66.98640 -16.49748      91.34988 
1 1 1 9  28 15 o 145.8261 61.21307 1.122237       2.134293  2.773892       2.659578  -1.865523      3.577057  180.9580 71.06537 140.2441 66.59655 40.71391       97.39295 
1 1 1 9  28 17 o 116.9535 54.19284 -0.7136617     2.131870  -5.000857      2.809586  5.104580       3.273042  101.5335 50.45451 214.1643 80.13943 -112.6308      94.69945 
1 1 1 9  28 19 o 122.4217 55.55716 0.3874426E-01  2.087852  -0.2678023     2.755691  0.4518494      3.198988  131.4966 61.16477 144.7966 66.84384 -13.30003      90.60479 
1 1 1 9  28 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  28 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  29 0  o 178.1210 80.93054 3.615725       2.205985  3.615725       2.205985  3.615725       2.205985  178.1210 80.93054 178.1210 80.93054 0.000000       0.000000 
1 1 1 9  29 2  o 120.6189 51.84087 0.2282432      1.593948  2.769241       2.761094  -1.041849      1.952075  189.4640 72.96497 113.0906 52.21026 76.37338       89.72067 
1 1 1 9  29 4  o 90.72551 43.88665 -2.385828      1.721613  -2.674802      3.626854  -2.301776      1.956032  140.4870 66.81113 99.71245 47.86380 40.77451       82.18680 
1 1 1 9  29 6  o 141.7131 54.32578 1.312492       1.525763  1.387888       2.677278  1.276226       1.856796  163.6770 68.62302 147.2369 58.87804 16.44017       90.41981 
1 1 1 9  29 8  o 103.5147 46.45449 -0.3496622     1.413119  -4.288548      2.630180  1.248727       1.675483  104.4961 51.34056 142.4436 56.26251 -37.94753      76.16642 
1 1 1 9  29 10 o 120.5506 47.51035 0.8268157      1.192390  -2.406810      2.721271  1.595184       1.326513  119.5077 57.12141 144.8907 51.49915 -25.38298      76.90915 
1 1 1 9  29 12 o 125.2020 55.49612 0.7072107E-01  1.952692  0.2250905      2.715517  -0.9457161E-01 2.809951  144.0032 64.52837 142.1094 64.47622 1.893829       91.22002 
1 1 1 9  29 14 o 146.0076 59.16034 1.451689       1.901479  -1.529619      2.581022  4.990464       2.811997  120.4946 57.02769 219.9155 75.18270 -99.42094      94.36417 
1 1 1 9  29 16 o 75.05093 37.99091 -5.911432      2.002928  -6.888544      2.544726  -4.320506      3.247088  85.47836 43.21779 112.8701 55.75738 -27.39176      70.54547 
1 1 1 9  29 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  29 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  29 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  30 1  o 100.9750 47.38345 -1.297354      1.714579  -1.105349      2.780850  -1.415111      2.177789  133.1188 61.75631 114.3678 53.58293 18.75099       81.76167 
1 1 1 9  30 3  f 71.69781 35.90849 -3.984725      1.548347  -6.072847      2.599009  -2.835889      1.927786  93.48059 46.77457 93.26252 45.41916 0.2180710      65.19785 
1 1 1 9  30 5  o 118.1968 50.68694 0.3175204      1.517442  1.445138       2.651128  -0.2319009     1.850558  161.0834 67.95512 118.8609 53.26502 42.22256       86.34269 
1 1 1 9  30 7  o 95.63696 44.29082 -0.8296006     1.421030  3.843761       2.569709  -2.888260      1.705538  203.2928 71.73299 84.74960 41.57878 118.5432       82.91210 
1 1 1 9  30 9  o 111.4240 47.06083 0.3966454      1.273893  4.162458       2.712039  -0.6694399     1.442987  207.1462 73.63536 98.28899 45.20024 108.8572       86.40155 
1 1 1 9  30 11 o 98.91957 47.45419 -1.926660      1.916101  -4.682723      2.537487  1.729749       2.922716  97.04221 48.17618 162.8957 70.10713 -65.85349      85.06441 
1 1 1 9  30 13 o 169.4941 61.31047 2.662948       1.889102  1.893371       2.579534  3.553106       2.774271  157.6444 66.79292 185.6542 72.67897 -28.00977      98.70930 
1 1 1 9  30 15 o 141.7502 59.96618 1.439672       2.073860  1.474713       2.607350  1.379325       3.421657  147.7781 64.86906 153.8245 70.31438 -6.046417      95.66665 
1 1 1 9  30 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  30 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  30 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  31 0  o 173.5048 87.05016 3.865059       2.622188  3.865059       2.622188  3.865059       2.622188  173.5048 87.05016 173.5048 87.05016 0.000000       0.000000 
1 1 1 9  31 2  o 106.7272 48.25507 -0.3602656     1.557605  -0.8990231     2.567589  -0.4654089E-01 1.959311  127.4987 59.21493 122.9959 54.98556 4.502853       80.80730 
1 1 1 9  31 4  o 105.2220 48.65476 -0.7918046     1.705092  -1.685777      3.851880  -0.5739368     1.901547  144.6250 68.79995 113.9473 52.21078 30.67767       86.36781 
1 1 1 9  31 6  o 102.4760 46.57589 -0.4141610     1.474235  -0.5573292     2.584882  -0.3451414     1.794749  130.1189 60.07455 113.3988 51.48123 16.72007       79.11554 
1 1 1 9  31 8  o 92.89161 45.27489 -2.601250      1.926324  -1.037533      2.641691  -4.376916      2.815032  125.2185 58.77746 104.9296 51.84967 20.28898       78.37843 
1 1 1 9  31 10 o 120.0325 53.83428 0.1181630      1.894569  0.9272335      2.558985  -0.8632690     2.818414  143.0432 63.46049 128.0872 60.30744 14.95602       87.54554 
1 1 1 9  31 12 o 118.4760 53.68721 0.7630198E-01  1.940952  -0.1187893     2.532063  0.3542720      3.022418  127.4806 59.06729 139.4053 64.57208 -11.92478      87.51285 
1 1 1 9  31 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  31 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  31 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  31 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  32 1  f 76.36172 38.20160 -4.028855      1.729828  -4.512993      2.469313  -3.562320      2.424010  95.12459 47.27497 99.58627 48.99920 -4.461685      68.08703 
1 1 1 9  32 3  o 144.2467 56.23855 1.639575       1.655571  3.906685       3.563268  1.015430       1.869626  189.5721 79.30215 134.4667 56.91337 55.10536       97.61128 
1 1 1 9  32 5  o 110.1913 48.69721 0.1539985      1.492674  -0.2611109     2.450361  0.3989267      1.882210  126.6641 58.48343 123.5851 54.64677 3.079033       80.04112 
1 1 1 9  32 7  o 116.6376 52.94538 -0.2747853E-01 1.897605  0.2462687      2.501565  -0.3984857     2.912246  131.6768 60.16439 131.7242 61.79398 -0.4747009E-01 86.24529 
1 1 1 9  32 9  o 89.66205 43.94548 -2.553713      1.890738  -4.438743      2.524133  -0.1438727     2.853957  94.39185 47.05452 131.0088 61.36670 -36.61697      77.33045 
1 1 1 9  32 11 o 129.4361 55.87059 1.032095       1.866800  0.5528933      2.444840  1.702157       2.891001  130.8992 59.68237 148.8109 66.63940 -17.91176      89.45834 
1 1 1 9  32 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  32 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  32 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  33 0  o 86.38511 59.39115 -0.7344975     2.370716  -0.7344975     2.370716  -0.7344975     2.370716  86.38511 59.39115 86.38511 59.39115 0.000000       0.000000 
1 1 1 9  33 2  f 96.88938 45.13884 -0.6258964     1.510204  -2.494384      2.416704  0.5712373      1.934416  103.2214 50.39745 123.8134 55.03828 -20.59207      74.62650 
1 1 1 9  33 4  o 153.0245 59.31687 2.250244       1.833496  0.8761913      2.421810  4.095359       2.806404  134.5727 60.56830 183.3110 72.68531 -48.73831      94.61328 
1 1 1 9  33 6  o 146.5623 59.20002 1.982897       1.897337  1.119235       2.500064  3.155948       2.913651  137.5813 61.76229 166.4269 70.76917 -28.84555      93.93005 
1 1 1 9  33 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  33 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  33 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  33 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  33 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  34 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  35 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  35 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  35 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  35 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  35 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  35 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  36 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  36 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 9  36 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 0  0  o 1548.573 25.33352 169.9331       5.548619  169.9331       5.548619  169.9331       5.548619  1548.573 25.33352 1548.573 25.33352 0.000000       0.000000 
1 1 1 10 0  2  o 1175.818 16.35476 97.94000       2.720286  97.94000       2.720286  97.94000       2.720286  1175.818 16.35476 1175.818 16.35476 0.000000       0.000000 
1 1 1 10 0  4  o 1418.719 19.94543 142.6382       4.002820  142.6382       4.002820  142.6382       4.002820  1418.719 19.94543 1418.719 19.94543 0.000000       0.000000 
1 1 1 10 0  6  o 978.5183 16.24456 67.85498       2.248158  67.85498       2.248158  67.85498       2.248158  978.5183 16.24456 978.5183 16.24456 0.000000       0.000000 
1 1 1 10 0  8  o 169.9216 47.98902 2.485679       0.9991546 2.485679       0.9991546 2.485679       0.9991546 169.9216 47.98902 169.9216 47.98902 0.000000       0.000000 
1 1 1 10 0  10 o 1644.812 26.29375 192.0750       6.116996  192.0750       6.116996  192.0750       6.116996  1644.812 26.29375 1644.812 26.29375 0.000000       0.000000 
1 1 1 10 0  12 o 60.61856 41.51354 -0.7371035     1.132752  -0.7371035     1.132752  -0.7371035     1.132752  60.61856 41.51354 60.61856 41.51354 0.000000       0.000000 
1 1 1 10 0  14 o 1444.755 21.98866 148.0769       4.493514  148.0769       4.493514  148.0769       4.493514  1444.755 21.98866 1444.755 21.98866 0.000000       0.000000 
1 1 1 10 0  16 f 1143.095 27.26566 92.81203       4.405139  92.81203       4.405139  92.81203       4.405139  1143.095 27.26566 1143.095 27.26566 0.000000       0.000000 
1 1 1 10 0  18 o 174.2704 76.81602 3.122658       1.986689  3.122658       1.986689  3.122658       1.986689  174.2704 76.81602 174.2704 76.81602 0.000000       0.000000 
1 1 1 10 0  20 o 967.1598 30.38362 66.55387       4.149398  66.55387       4.149398  66.55387       4.149398  967.1598 30.38362 967.1598 30.38362 0.000000       0.000000 
1 1 1 10 0  22 o 842.5517 32.40036 50.65495       3.850374  50.65495       3.850374  50.65495       3.850374  842.5517 32.40036 842.5517 32.40036 0.000000       0.000000 
1 1 1 10 0  24 o 1081.483 32.41300 83.38269       4.950787  83.38269       4.950787  83.38269       4.950787  1081.483 32.41300 1081.483 32.41300 0.000000       0.000000 
1 1 1 10 0  26 o 264.1432 96.16571 6.803339       3.307564  6.803339       3.307564  6.803339       3.307564  264.1432 96.16571 264.1432 96.16571 0.000000       0.000000 
1 1 1 10 0  28 f 319.6588 89.82361 9.145224       3.517062  9.145224       3.517062  9.145224       3.517062  319.6588 89.82361 319.6588 89.82361 0.000000       0.000000 
1 1 1 10 0  30 o 347.6829 77.19412 10.21243       3.319916  10.21243       3.319916  10.21243       3.319916  347.6829 77.19412 347.6829 77.19412 0.000000       0.000000 
1 1 1 10 0  32 o 122.9588 80.30688 0.2817540      3.427386  0.2817540      3.427386  0.2817540      3.427386  122.9588 80.30688 122.9588 80.30688 0.000000       0.000000 
1 1 1 10 0  34 o 241.6257 101.1820 6.872081       3.469044  6.872081       3.469044  6.872081       3.469044  241.6257 101.1820 241.6257 101.1820 0.000000       0.000000 
1 1 1 10 0  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 1  1  o 744.9073 11.60177 39.28532       1.223056  41.44028       1.789014  37.39436       1.675851  764.8516 16.52787 726.5667 16.29822 38.28485       23.21212 
1 1 1 10 1  3  o 999.1756 11.32252 70.68308       1.601049  70.61868       2.259783  70.74799       2.268694  998.4433 15.99277 999.3537 16.04120 -0.9104004     22.65146 
1 1 1 10 1  5  o 799.4597 11.47023 45.25455       1.297742  44.76846       1.827961  45.74850       1.842698  794.8972 16.24935 803.5537 16.20389 -8.656494      22.94793 
1 1 1 10 1  7  o 919.9884 12.36923 59.94257       1.610441  57.55398       2.095723  63.38694       2.516628  901.1702 16.43264 945.5076 18.80763 -44.33734      24.97516 
1 1 1 10 1  9  o 658.1674 12.40402 30.68503       1.155363  29.72469       1.648020  31.61322       1.620195  647.1544 18.01182 667.5022 17.16545 -20.34784      24.88128 
1 1 1 10 1  11 o 598.2019 17.93415 25.40997       1.516553  28.44309       2.184407  22.58762       2.107139  632.0062 24.46886 562.7700 26.53182 69.23621       36.09241 
1 1 1 10 1  13 o 1047.703 14.51513 77.80798       2.152181  76.76521       3.003480  78.90844       3.085463  1039.773 20.41110 1054.140 20.68247 -14.36633      29.05817 
1 1 1 10 1  15 f 1085.690 16.66681 83.56042       2.560813  81.68342       3.268287  86.54517       4.121374  1072.768 21.52756 1103.381 26.39348 -30.61353      34.05953 
1 1 1 10 1  17 o 329.3032 27.66002 7.756304       1.277143  4.997209       2.068115  9.457113       1.623749  258.6252 57.94458 363.2798 31.90714 -104.6546      66.14861 
1 1 1 10 1  19 o 727.8808 22.34969 37.61607       2.299518  35.30246       3.134146  40.31368       3.384256  703.9273 31.54104 752.2737 31.86045 -48.34644      44.83219 
1 1 1 10 1  21 f 1246.857 21.37747 110.3421       3.772184  110.4124       5.360778  110.2731       5.308946  1245.323 30.41769 1244.606 30.14093 0.7166748      42.82186 
1 1 1 10 1  23 o 967.2828 23.05212 66.50175       3.155616  64.98877       4.336631  68.20443       4.600476  953.6791 32.17754 976.6691 33.33285 -22.98999      46.33004 
1 1 1 10 1  25 f 614.7399 29.72584 27.04895       2.578435  30.05825       3.733353  24.30438       3.565361  644.8394 41.12413 578.7149 43.85960 66.12445       60.12370 
1 1 1 10 1  27 o 516.2706 36.75355 19.32601       2.667762  22.28437       3.897768  16.71885       3.659101  548.7981 50.76119 472.5657 55.78737 76.23242       75.42499 
1 1 1 10 1  29 o 257.7571 65.48500 5.335703       2.393137  4.805911       3.510917  5.795467       3.270655  244.4340 83.99435 264.1483 80.34635 -19.71425      116.2350 
1 1 1 10 1  31 o 208.6109 71.43241 3.477413       2.538684  1.181966       3.411117  6.327451       3.800915  180.0913 76.57589 266.7700 87.34923 -86.67867      116.1626 
1 1 1 10 1  33 o 173.0191 69.10026 1.999255       2.554227  3.038131       3.675532  1.028997       3.552075  200.9197 81.93890 173.6364 75.98077 27.28328       111.7455 
1 1 1 10 1  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 1  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 2  0  o 547.8576 17.65245 21.31825       1.365429  21.31825       1.365429  21.31825       1.365429  547.8576 17.65245 547.8576 17.65245 0.000000       0.000000 
1 1 1 10 2  2  o 1346.224 11.91853 128.3185       2.270702  131.5229       3.266803  125.3232       3.158452  1362.507 16.94199 1330.021 16.78015 32.48523       23.84543 
1 1 1 10 2  4  o 1308.023 11.90416 121.1469       2.203606  121.4808       3.110757  120.8106       3.122014  1309.389 16.78717 1305.761 16.89473 3.628052       23.81682 
1 1 1 10 2  6  o 851.0147 11.36667 51.28186       1.368958  51.60696       1.946740  50.96383       1.925434  853.4105 16.11871 848.0816 16.04247 5.328857       22.74145 
1 1 1 10 2  8  o 87.91766 36.13189 0.1754041      0.7216234 0.8614455      1.114554  -0.3197508     0.9468833 125.4238 46.79879 87.23909 38.65825 38.18469       60.70080 
1 1 1 10 2  10 o 618.1630 18.32458 27.13223       1.601316  26.89947       2.253793  27.36952       2.275570  614.4414 25.97734 619.7921 26.00101 -5.350647      36.75425 
1 1 1 10 2  12 o 700.3272 14.96340 34.76988       1.483034  33.94297       2.076481  35.63084       2.118812  690.9698 21.26014 707.9706 21.17121 -17.00079      30.00356 
1 1 1 10 2  14 f 503.2109 19.48275 17.99636       1.384838  19.07103       1.790422  16.39603       2.184861  517.3956 24.52170 478.3794 32.46476 39.01620       40.68506 
1 1 1 10 2  16 o 2133.014 20.48879 322.6953       6.184857  318.1755       7.906096  329.8239       9.928899  2116.393 26.39648 2152.600 32.59251 -36.20752      41.94098 
1 1 1 10 2  18 o 1932.169 22.49635 264.7993       6.151440  269.5891       8.875349  260.3714       8.533610  1947.129 32.20853 1913.753 31.50846 33.37646       45.05744 
1 1 1 10 2  20 o 378.5269 33.73362 10.28338       1.788175  12.35872       2.553275  8.285560       2.505136  413.3305 44.34198 335.2527 54.68389 78.07788       70.40269 
1 1 1 10 2  22 o 1160.962 22.32503 95.74076       3.668005  91.23325       4.967822  101.1435       5.438796  1130.855 31.07071 1190.342 32.31567 -59.48730      44.82957 
1 1 1 10 2  24 f 496.6170 31.87045 17.68682       2.228082  17.82210       3.135190  17.54878       3.167018  495.2236 45.23341 491.1324 46.10418 4.091278       64.58836 
1 1 1 10 2  26 o 925.9773 26.16551 61.23220       3.425419  59.12416       4.805381  63.40990       4.884126  905.4933 37.58096 938.1198 36.85996 -32.62653      52.64015 
1 1 1 10 2  28 o 838.3973 28.83298 50.57178       3.415957  54.60616       4.945862  46.89187       4.723587  864.3539 40.54550 799.9973 41.86757 64.35657       58.28233 
1 1 1 10 2  30 o 153.3950 64.96252 0.5933390      2.438213  -1.737819      3.530769  2.718397       3.371078  152.3300 70.28698 204.0282 80.04353 -51.69823      106.5234 
1 1 1 10 2  32 o 478.9017 42.99895 17.38690       2.883243  16.86702       4.104938  17.89313       4.050646  452.3347 66.07457 469.3740 62.53417 -17.03928      90.97456 
1 1 1 10 2  34 o 545.3335 53.03999 24.10098       4.041758  25.32413       5.955809  23.05680       5.502843  512.9636 85.01690 494.4596 81.47394 18.50400       117.7534 
1 1 1 10 2  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 3  1  o 1081.171 11.31090 82.76042       1.730658  81.13843       2.419884  84.45868       2.476126  1070.224 15.97718 1091.898 16.02400 -21.67407      22.62827 
1 1 1 10 3  3  o 500.7850 13.87300 17.77534       0.9822522 17.89403       1.301590  17.61832       1.497060  502.1429 18.34669 498.0019 21.29079 4.140991       28.10513 
1 1 1 10 3  5  f 718.8059 11.74642 36.58658       1.194915  35.41018       1.658473  37.85646       1.723110  706.9062 16.57780 730.9113 16.65822 -24.00513      23.50148 
1 1 1 10 3  7  o 1350.161 12.30431 129.1117       2.351054  128.7030       3.333020  129.5165       3.316824  1347.383 17.47942 1351.655 17.33951 -4.271851      24.62090 
1 1 1 10 3  9  o 949.9417 13.63110 63.93897       1.832515  62.24403       2.553811  65.73799       2.631051  936.6407 19.26620 962.5637 19.31434 -25.92297      27.28058 
1 1 1 10 3  11 o 159.7950 53.51911 1.749861       1.424604  0.6158075      2.076926  2.757492       1.957740  149.5382 61.35985 195.8089 62.57293 -46.27072      87.63791 
1 1 1 10 3  13 o 352.9314 22.87789 8.888488       1.136527  8.949523       1.442371  8.788533       1.845821  353.2355 29.11128 348.3604 38.05890 4.875153       47.91603 
1 1 1 10 3  15 o 1446.907 17.18733 148.4181       3.519403  153.1982       5.632183  145.3559       4.507861  1467.975 27.11054 1430.995 22.25936 36.98083       35.07792 
1 1 1 10 3  17 o 243.4964 37.68837 4.322031       1.256814  3.471927       2.011141  4.866756       1.609888  216.8727 62.26305 257.1627 45.92025 -40.29001      77.36508 
1 1 1 10 3  19 o 732.7502 21.96651 38.11867       2.275339  36.66282       3.214847  39.57992       3.220793  717.3087 31.74765 745.5330 30.59142 -28.22430      44.08796 
1 1 1 10 3  21 o 1261.551 21.39453 112.9705       3.819684  112.2222       5.351320  113.7477       5.453837  1255.433 30.11949 1263.839 30.49232 -8.406372      42.85983 
1 1 1 10 3  23 o 192.3898 60.38676 2.686362       1.830564  -1.002677      2.538490  6.683115       2.642241  139.2012 62.38208 296.6498 64.75857 -157.4486      89.91772 
1 1 1 10 3  25 f 1479.569 23.75702 155.8400       4.974473  152.2692       6.987741  159.5089       7.083162  1458.004 33.86556 1492.438 33.53600 -34.43384      47.66067 
1 1 1 10 3  27 o 365.9491 50.03691 9.997039       2.523582  7.104957       3.456919  13.29670       3.692484  297.2173 80.30081 416.3652 64.77008 -119.1479      103.1668 
1 1 1 10 3  29 f 396.4490 47.67565 11.84054       2.621262  12.18841       3.783927  11.51958       3.634626  388.6021 71.43629 378.1352 70.51250 10.46689       100.3751 
1 1 1 10 3  31 o 647.0567 33.63093 30.71206       3.069078  34.03452       4.402515  27.57091       4.280711  670.4854 46.68889 599.4889 50.93813 70.99646       69.09809 
1 1 1 10 3  33 o 481.3434 41.23057 17.71479       2.781602  18.51000       3.910970  16.90076       3.956993  473.8260 59.64220 447.6847 64.29850 26.14136       87.70113 
1 1 1 10 3  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 3  37 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 4  0  o 816.6541 15.96152 47.27397       1.843137  47.27397       1.843137  47.27397       1.843137  816.6541 15.96152 816.6541 15.96152 0.000000       0.000000 
1 1 1 10 4  2  o 225.7892 21.88085 3.649400       0.6904232 4.531221       0.9721552 2.751986       0.9807129 251.0673 27.82730 193.3671 37.18790 57.70023       46.44672 
1 1 1 10 4  4  o 946.9285 13.09688 63.50486       1.755112  61.73967       2.982274  64.44018       2.170861  932.8641 22.58964 953.6628 16.08487 -20.79877      27.73112 
1 1 1 10 4  6  f 560.6105 12.47421 22.25936       0.9896783 23.13366       1.407398  21.40412       1.391963  570.9987 17.43697 549.1744 17.93413 21.82428       25.01362 
1 1 1 10 4  8  f 85.82652 35.47321 0.1449942      0.7008050 0.5534421      0.9962562 -0.2550867     0.9859993 111.8860 43.62484 90.62910 39.83341 21.25694       59.07476 
1 1 1 10 4  10 o 726.5701 23.09407 37.55280       2.371624  38.19104       3.345270  36.90788       3.362765  730.8643 32.42329 718.2842 33.17070 12.58008       46.38496 
1 1 1 10 4  12 o 945.0026 14.39458 63.30125       1.925094  60.43108       2.631248  66.60721       2.823942  922.5597 20.15336 968.4819 20.60367 -45.92218      28.82133 
1 1 1 10 4  14 o 1270.143 15.25780 114.3467       2.742611  110.2481       3.734225  119.1469       4.041213  1246.205 21.17343 1295.348 22.04476 -49.14307      30.56609 
1 1 1 10 4  16 o 1825.227 17.34368 236.1135       4.479999  237.9890       6.354904  234.2606       6.316620  1830.995 24.52461 1816.585 24.57023 14.40955       34.71531 
1 1 1 10 4  18 o 955.8537 20.27542 64.77787       2.742717  62.70156       3.833374  66.95556       3.925854  939.0234 28.88029 970.4260 28.61716 -31.40265      40.65726 
1 1 1 10 4  20 o 211.0286 56.67339 3.322220       1.728171  1.075113       2.099832  8.039348       3.042366  159.7042 63.01500 326.8238 67.99451 -167.1196      92.70460 
1 1 1 10 4  22 o 934.0679 22.31632 61.98522       2.949991  63.35052       4.258580  60.72566       4.090341  941.7822 31.99821 922.2056 31.38667 19.57660       44.82197 
1 1 1 10 4  24 o 642.5758 28.15729 29.49721       2.554344  28.16993       3.593033  30.85349       3.632059  624.6375 40.87007 654.2761 39.40851 -29.63861      56.77493 
1 1 1 10 4  26 o 747.0708 29.32203 39.99396       3.094078  38.02935       4.291934  42.11976       4.464543  723.6592 42.08988 761.9383 41.56090 -38.27911      59.15121 
1 1 1 10 4  28 f 782.7843 29.29601 44.15443       3.239690  44.98829       4.610544  43.34118       4.553219  782.9407 41.76164 768.2549 42.03893 14.68573       59.25628 
1 1 1 10 4  30 o 286.7393 63.75819 6.651838       2.520339  6.603003       3.685579  6.694736       3.454250  275.1459 85.58308 278.3689 82.08995 -3.222992      118.5885 
1 1 1 10 4  32 o 265.8084 66.39561 5.999539       2.490130  10.33219       3.724226  2.496437       3.348772  340.5290 78.83649 193.6313 78.49094 146.8976       111.2476 
1 1 1 10 4  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 4  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 5  1  o 1201.605 13.28030 102.2581       2.258341  100.9801       3.171406  103.5728       3.216626  1193.546 18.77556 1208.768 18.80347 -15.22205      26.57239 
1 1 1 10 5  3  f 460.1613 13.59679 15.01097       0.8844838 14.56503       1.253167  15.45362       1.248544  452.8142 19.60194 466.5045 18.95104 -13.69037      27.26496 
1 1 1 10 5  5  o 918.5489 11.47064 59.74921       1.491110  58.92902       2.090438  60.59877       2.127548  911.8701 16.19886 924.6935 16.25780 -12.82336      22.95037 
1 1 1 10 5  7  o 738.2640 12.14016 38.60582       1.268399  38.68084       1.777466  38.52798       1.810568  738.6218 17.00432 737.1303 17.35604 1.491455       24.29772 
1 1 1 10 5  9  o 586.7294 18.19258 24.44608       1.508783  26.75995       2.156763  22.22844       2.111443  612.9665 24.91448 558.2706 26.80312 54.69586       36.59424 
1 1 1 10 5  11 o 125.2105 50.40768 0.5399701      1.370603  -1.530635      1.938058  2.611714       1.938591  112.0894 51.84502 191.6116 62.35867 -79.52217      81.09569 
1 1 1 10 5  13 o 588.2249 16.11627 24.55194       1.340350  24.88945       1.890882  24.21109       1.900234  591.4622 22.63183 583.2727 23.06603 8.189514       32.31473 
1 1 1 10 5  15 o 963.1284 15.26826 65.72852       2.081103  66.75785       2.917360  64.66202       2.969583  970.0176 21.25155 954.5812 21.98178 15.43646       30.57494 
1 1 1 10 5  17 o 655.4647 18.87251 30.47856       1.748826  30.45742       2.223080  30.51289       2.832672  654.7201 24.03351 654.4725 30.66865 0.2475586      38.96377 
1 1 1 10 5  19 o 1782.442 25.41060 225.5982       6.409884  234.2076       11.45964  221.6782       7.732670  1809.527 44.74930 1765.403 30.95037 44.12427       54.40979 
1 1 1 10 5  21 o 1105.233 21.40176 86.72978       3.347520  87.75950       4.792025  85.74838       4.678243  1109.419 30.55042 1096.728 30.17011 12.69177       42.93674 
1 1 1 10 5  23 o 1405.736 22.69129 140.4784       4.514222  137.4372       6.334834  143.6160       6.434480  1387.163 32.26917 1418.087 32.06202 -30.92346      45.48926 
1 1 1 10 5  25 o 940.3758 25.07479 63.06538       3.334040  62.96393       4.802992  63.15973       4.631758  935.6214 36.34283 937.6411 34.96640 -2.019714      50.43263 
1 1 1 10 5  27 o 693.3355 31.13765 34.63076       3.047470  40.19510       4.443584  29.68959       4.187366  741.4930 42.52375 634.6566 46.95360 106.8364       63.34753 
1 1 1 10 5  29 o 472.1525 41.43587 16.53822       2.740676  17.83860       3.999032  15.38651       3.763486  478.6789 60.37263 443.3358 61.65004 35.34308       86.28778 
1 1 1 10 5  31 o 391.5706 48.51837 11.79392       2.631185  15.80506       3.924659  8.519122       3.546176  441.2923 64.76931 311.0572 80.08119 130.2352       102.9954 
1 1 1 10 5  33 o 479.0169 56.77356 18.81280       3.773978  18.58471       5.492533  19.01679       5.194362  430.3036 92.91727 446.2841 85.35271 -15.98047      126.1693 
1 1 1 10 5  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 6  0  o 582.7911 19.41711 24.13767       1.597432  24.13767       1.597432  24.13767       1.597432  582.7911 19.41711 582.7911 19.41711 0.000000       0.000000 
1 1 1 10 6  2  o 1010.068 11.37253 72.24437       1.625651  74.28117       2.315268  70.26376       2.283104  1023.848 15.97886 995.7568 16.20140 28.09155       22.75543 
1 1 1 10 6  4  f 838.5385 11.59878 49.79562       1.376433  49.20271       1.930423  50.40880       1.963131  833.1930 16.37145 843.3367 16.44858 -10.14368      23.20733 
1 1 1 10 6  6  o 363.1336 16.25615 9.366470       0.8333005 9.589601       1.183176  9.146858       1.173810  366.7647 22.90953 358.1194 23.28689 8.645233       32.66689 
1 1 1 10 6  8  o 722.6401 16.56288 37.03025       1.693861  36.03166       2.371449  38.07037       2.420258  711.6701 23.57845 731.5759 23.40678 -19.90576      33.22380 
1 1 1 10 6  10 o 477.7759 26.30934 16.29502       1.772043  16.79755       2.530183  15.81121       2.482588  483.0099 37.30373 468.4281 37.76910 14.58182       53.08553 
1 1 1 10 6  12 f 931.9113 13.20711 61.54132       1.741816  64.82316       2.728074  59.28275       2.263158  955.5172 20.17427 914.1530 17.49348 41.36426       26.70249 
1 1 1 10 6  14 o 613.8898 16.82277 26.73574       1.460152  26.40045       2.009976  27.11041       2.124733  609.2957 23.35328 617.3104 24.36885 -8.014771      33.75228 
1 1 1 10 6  16 o 1428.225 16.14927 144.5300       3.264144  143.9058       4.542032  145.1968       4.694118  1424.245 22.53438 1430.512 23.18690 -6.266602      32.33312 
1 1 1 10 6  18 o 635.8430 19.97111 28.69343       1.794870  28.58397       2.298214  28.86459       2.873861  634.0139 25.66673 636.2605 32.01910 -2.246643      41.03662 
1 1 1 10 6  20 o 699.2647 23.15320 34.76171       2.288090  39.21513       3.351169  30.87258       3.131669  741.2230 32.02237 657.1705 33.78611 84.05249       46.55033 
1 1 1 10 6  22 f 818.7776 23.57677 47.70091       2.729089  47.21203       3.864046  48.18752       3.854998  812.2360 33.68868 820.7140 33.25930 -8.478027      47.34034 
1 1 1 10 6  24 o 751.3724 30.01365 40.38481       3.185071  39.03365       4.032456  42.62597       5.193429  735.9908 38.85246 765.5578 48.17974 -29.56696      61.89347 
1 1 1 10 6  26 o 876.3824 26.41756 54.93624       3.272729  56.27202       4.723173  53.70262       4.538995  882.0004 37.92813 861.9020 37.30022 20.09833       53.19633 
1 1 1 10 6  28 o 180.9003 67.37231 2.150628       2.307794  0.2530718      3.197586  4.213692       3.334120  167.8649 72.78918 232.9436 81.74870 -65.07874      109.4583 
1 1 1 10 6  30 o 630.8282 33.99277 29.16773       3.023503  29.42619       4.382413  28.93296       4.176755  621.1253 50.28527 617.7046 48.15949 3.420715       69.62718 
1 1 1 10 6  32 o 336.1229 53.93070 9.062367       2.478659  8.806167       3.626771  9.286918       3.395367  308.0492 81.81933 322.5860 75.68632 -14.53687      111.4577 
1 1 1 10 6  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 6  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 7  1  o 851.0928 11.34875 51.29603       1.366926  49.98319       1.905734  52.68715       1.961732  839.8036 16.03484 862.2165 16.07695 -22.41290      22.70648 
1 1 1 10 7  3  o 108.7888 37.38935 0.7698421      0.6956999 0.6580027      1.006790  0.8720462      0.9624441 115.5185 44.16825 120.9664 43.76106 -5.447838      62.17608 
1 1 1 10 7  5  o 555.2665 13.62603 21.84541       1.070756  21.96268       1.616522  21.75374       1.429265  555.9127 20.58286 553.5129 18.27093 2.399719       27.52238 
1 1 1 10 7  7  o 453.5350 16.27864 14.60360       1.043143  13.31594       1.435864  16.04283       1.518016  432.2367 23.56227 474.6714 22.66313 -42.43469      32.69248 
1 1 1 10 7  9  o 752.0420 22.35798 40.22416       2.376906  40.48019       3.274039  39.93882       3.456263  752.7237 30.79972 747.1938 32.76505 5.529846       44.96856 
1 1 1 10 7  11 o 567.9318 15.77964 22.88960       1.267045  21.65986       1.782928  24.14433       1.800952  551.5624 22.89098 582.5372 21.88424 -30.97479      31.66886 
1 1 1 10 7  13 o 752.1466 13.77499 40.08446       1.466269  41.05586       2.262624  39.38117       1.925230  760.2388 21.05043 745.1423 18.25676 15.09650       27.86449 
1 1 1 10 7  15 o 1808.423 17.15964 231.7811       4.391653  233.5446       6.170689  229.9711       6.251571  1813.908 24.03801 1799.859 24.54318 14.04932       34.35395 
1 1 1 10 7  17 o 439.4147 23.43043 13.73814       1.451783  12.72549       1.808715  15.57210       2.434092  422.0294 30.48915 466.0826 37.21117 -44.05316      48.10675 
1 1 1 10 7  19 o 1024.066 18.10664 74.35595       2.624131  73.15819       3.314658  76.36719       4.295218  1015.151 23.07216 1035.732 29.33293 -20.58154      37.31950 
1 1 1 10 7  21 f 796.8577 23.34285 45.16759       2.629578  49.62406       3.830813  41.19680       3.616042  833.2557 32.54835 758.8047 33.75765 74.45099       46.89322 
1 1 1 10 7  23 f 916.7217 27.00885 59.93479       3.500173  57.47728       5.787219  61.35223       4.395164  891.0798 46.04783 925.5297 33.61142 -34.44983      57.00991 
1 1 1 10 7  25 o 1025.968 25.68713 75.14763       3.726727  73.57076       5.494258  76.49134       5.071826  1009.581 38.52526 1031.314 34.79976 -21.73248      51.91550 
1 1 1 10 7  27 f 132.0939 59.10909 -0.6940688     2.269967  1.328063       3.416451  -2.292306      3.037325  188.1440 78.09333 137.2047 63.95219 50.93930       100.9379 
1 1 1 10 7  29 o 347.4691 53.86412 9.350067       2.563041  12.52568       4.119886  7.345010       3.273669  386.6983 77.97704 294.4971 77.50800 92.20123       109.9450 
1 1 1 10 7  31 o 329.3622 54.58626 8.620177       2.455310  9.498877       3.607957  7.862211       3.350937  327.6541 78.78126 297.4582 78.47916 30.19592       111.2001 
1 1 1 10 7  33 o 143.5799 66.79899 -1.151148      3.289401  0.9518537      4.871863  -2.913053      4.459298  184.8429 84.26684 151.5186 72.60944 33.32422       111.2341 
1 1 1 10 7  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 8  0  o 1459.315 17.57950 150.9161       3.629389  150.9161       3.629389  150.9161       3.629389  1459.315 17.57950 1459.315 17.57950 0.000000       0.000000 
1 1 1 10 8  2  o 652.8620 11.87629 30.18979       1.097291  29.75437       1.535250  30.64451       1.568905  647.6051 16.76542 657.2150 16.88220 -9.609924      23.79261 
1 1 1 10 8  4  f 272.5449 22.52271 5.311234       0.8609691 3.602800       1.159047  7.414476       1.286016  221.3758 38.38638 321.4987 28.56186 -100.1229      47.84657 
1 1 1 10 8  6  o 159.6856 37.89650 1.897375       0.8434806 0.8770454      1.156190  3.058266       1.233260  127.0175 47.60967 202.5023 44.27094 -75.48484      65.01228 
1 1 1 10 8  8  f 674.5402 17.19143 32.29833       1.639780  33.18408       2.325173  31.42193       2.312873  682.6987 24.10396 664.2079 24.64802 18.49078       34.47500 
1 1 1 10 8  10 o 511.7166 19.14842 18.61360       1.384253  18.42988       1.988559  18.78632       1.928100  507.9067 27.77093 513.0012 26.64912 -5.094452      38.48896 
1 1 1 10 8  12 o 578.3267 14.87976 23.72151       1.216825  20.01509       1.753984  27.16051       1.689525  530.2423 23.43178 618.3818 19.32956 -88.13947      30.37565 
1 1 1 10 8  14 o 331.4225 23.65984 7.836559       1.102421  6.802980       1.480909  9.121274       1.651049  307.1026 34.68011 356.4105 33.11197 -49.30789      47.94906 
1 1 1 10 8  16 o 332.4854 24.91096 7.889816       1.163627  9.449416       1.669594  6.416693       1.622645  363.0085 32.85467 297.4484 39.52444 65.56015       51.39660 
1 1 1 10 8  18 o 1009.247 17.98261 72.20684       2.568444  71.47954       3.235848  73.44539       4.222691  1003.597 22.78289 1015.897 29.40200 -12.29962      37.19594 
1 1 1 10 8  20 o 490.5867 24.01309 17.14554       1.662120  17.40680       2.069339  16.67054       2.790232  493.4359 29.77188 480.5298 41.43417 12.90604       51.02112 
1 1 1 10 8  22 f 413.3474 33.08885 12.28697       1.919452  12.99509       2.791941  11.65229       2.643194  421.6686 47.61793 398.9813 47.75971 22.68732       67.44225 
1 1 1 10 8  24 o 768.0308 27.14464 42.14194       2.945772  44.69598       4.257444  39.79622       4.080112  787.3011 38.32615 742.5583 38.96224 44.74274       54.65300 
1 1 1 10 8  26 o 707.0263 29.61955 35.93695       2.957133  37.98289       4.254066  34.02398       4.113509  721.3366 41.85193 682.0931 42.82987 39.24353       59.88306 
1 1 1 10 8  28 o 504.1727 44.57998 18.96792       3.148077  17.52031       3.803736  22.11541       5.608767  476.3833 57.58751 518.3337 78.95066 -41.95041      97.72168 
1 1 1 10 8  30 o 155.8161 64.09871 1.072354       2.273927  1.964409       3.292454  0.2587749      3.144299  188.0922 77.22636 162.5179 71.29079 25.57428       105.1013 
1 1 1 10 8  32 o 345.0179 71.81505 10.55994       3.392324  7.988051       4.724053  13.29817       4.874422  272.3496 97.14489 360.6036 94.42039 -88.25406      135.4708 
1 1 1 10 8  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 8  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 9  1  o 433.1949 14.36587 13.31384       0.8794960 12.59550       1.230867  14.06317       1.257139  420.7192 20.73668 444.6915 20.02722 -23.97223      28.82880 
1 1 1 10 9  3  o 358.5598 18.42356 9.145105       0.9317434 9.780654       1.328572  8.529972       1.307060  369.9829 25.53023 345.1939 26.96939 24.78903       37.13678 
1 1 1 10 9  5  o 493.8955 16.18728 17.31667       1.129905  16.17033       1.568387  18.55362       1.629200  476.4040 23.33358 510.4848 22.60739 -34.08087      32.48922 
1 1 1 10 9  7  o 1109.539 13.81435 87.25590       2.169165  89.64342       3.098927  84.96236       3.037327  1123.695 19.48691 1093.939 19.61909 29.75671       27.65228 
1 1 1 10 9  9  f 1268.043 19.38090 114.1536       3.477985  113.8136       5.856254  114.3389       4.322924  1261.866 32.82130 1267.935 24.09134 -6.068848      40.71400 
1 1 1 10 9  11 o 213.9169 29.24816 3.318750       0.8622849 3.112019       1.328053  3.469420       1.133772  204.0042 46.97153 217.0938 38.30235 -13.08960      60.60854 
1 1 1 10 9  13 o 973.5726 13.64711 67.14492       1.880308  66.79787       2.803469  67.42870       2.535058  970.3810 20.41426 975.1848 18.36882 -4.803711      27.46189 
1 1 1 10 9  15 o 2101.198 18.61563 312.9578       5.535597  315.8656       7.752486  309.9330       7.906828  2109.188 25.97203 2089.072 26.74416 20.11572       37.27997 
1 1 1 10 9  17 f 583.3823 20.31761 24.16442       1.674874  21.90325       2.068799  28.46558       2.853282  554.7072 26.42930 631.7297 32.01933 -77.02252      41.51801 
1 1 1 10 9  19 o 719.2952 19.65195 36.73846       1.998598  34.65984       2.495501  40.45649       3.337540  697.8247 25.31113 752.8498 31.39442 -55.02509      40.32695 
1 1 1 10 9  21 o 589.2861 22.39903 24.71640       1.864592  24.30733       2.325881  25.45216       3.119274  583.3742 28.25621 594.9841 37.23152 -11.60986      46.73970 
1 1 1 10 9  23 f 385.2643 39.04628 10.77853       2.099549  12.53411       2.969915  9.024620       2.968507  411.9199 52.11035 345.0282 63.11969 66.89169       81.85098 
1 1 1 10 9  25 o 944.1880 26.56565 63.77821       3.546229  63.19858       5.169176  64.29355       4.874074  933.9160 39.19768 943.4108 36.57590 -9.494812      53.61208 
1 1 1 10 9  27 f 747.5311 33.15866 40.56258       3.499161  35.44360       5.685875  43.68318       4.439405  679.7921 59.70786 770.8470 40.84034 -91.05493      72.33921 
1 1 1 10 9  29 o 273.7572 64.21301 6.127200       2.444501  5.035450       3.453916  7.222917       3.460187  243.3709 83.31998 287.5959 81.37716 -44.22505      116.4666 
1 1 1 10 9  31 o 172.2915 66.78633 2.051541       2.324362  2.129770       3.252871  1.969926       3.322524  185.6412 76.54661 184.2302 76.78498 1.411057       108.4219 
1 1 1 10 9  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 9  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 10 0  o 632.4670 24.02237 28.49446       2.143120  28.49446       2.143120  28.49446       2.143120  632.4670 24.02237 632.4670 24.02237 0.000000       0.000000 
1 1 1 10 10 2  o 390.9519 21.74641 10.89128       1.198439  11.46963       1.681478  10.29416       1.708544  400.0147 29.91941 378.4432 32.20680 21.57153       43.95963 
1 1 1 10 10 4  o 319.0734 23.99962 7.280440       1.075771  8.190254       1.497515  6.310252       1.546403  337.2835 31.74635 294.4373 37.99660 42.84625       49.51336 
1 1 1 10 10 6  o 569.2573 15.29864 22.99425       1.231367  22.49611       1.725200  23.51157       1.758097  562.2538 21.72226 574.8325 21.65004 -12.57867      30.66888 
1 1 1 10 10 8  o 322.4322 23.53030 7.431328       1.066315  7.691563       1.387637  7.056069       1.666319  326.9919 30.33178 311.4381 38.63447 15.55377       49.11863 
1 1 1 10 10 10 o 294.9014 25.02938 6.228046       1.034733  7.106695       1.613219  5.613904       1.348715  313.0938 37.13022 278.1958 35.03212 34.89801       51.04805 
1 1 1 10 10 12 o 304.2432 22.13115 6.604264       0.9463782 6.140762       1.423856  6.971071       1.266656  291.3922 35.24295 311.7256 29.04649 -20.33344      45.67017 
1 1 1 10 10 14 o 928.0487 15.36305 61.01920       2.017753  62.33952       2.752615  59.48578       2.966434  937.5601 20.74563 915.3387 22.91789 22.22137       30.91296 
1 1 1 10 10 16 f 402.6235 22.72335 11.53808       1.289511  12.42422       1.787271  10.57595       1.862331  416.9084 30.50324 383.8619 34.65449 33.04654       46.16689 
1 1 1 10 10 18 o 1301.743 18.14671 120.1721       3.343050  122.2733       4.283706  116.8987       5.346594  1312.179 23.06783 1281.567 29.47924 30.61255       37.43194 
1 1 1 10 10 20 o 134.3637 51.84103 0.8764812      1.395642  1.086614       1.777833  0.5390183      2.252981  150.4966 58.38954 153.1268 63.47524 -2.630157      86.24641 
1 1 1 10 10 22 o 333.9977 42.62199 8.162354       1.968799  8.952465       2.786295  7.374500       2.782313  345.2086 59.16058 310.8036 65.33337 34.40500       88.13866 
1 1 1 10 10 24 o 713.8117 27.59242 36.47274       2.782112  38.75615       3.917437  34.14911       3.951789  732.1584 37.93681 685.9558 40.89344 46.20264       55.78059 
1 1 1 10 10 26 o 751.5738 28.45490 40.66140       3.021088  41.65482       4.372936  39.75431       4.178612  753.7925 41.14828 736.9207 40.21991 16.87183       57.53974 
1 1 1 10 10 28 f 309.6747 57.50541 7.564259       2.427439  13.57605       3.722670  3.117225       3.201754  411.0547 66.24455 208.1743 78.96289 202.8805       103.0703 
1 1 1 10 10 30 o 177.7085 70.24062 2.047104       2.613096  3.640664       3.344864  -0.4486849     4.185991  212.8781 80.71727 172.6104 78.46447 40.26768       112.5698 
1 1 1 10 10 32 o 183.3500 75.32885 2.480307       3.135296  0.8063180      4.344547  4.299592       4.529169  177.2061 80.30926 215.2518 89.67728 -38.04568      120.3810 
1 1 1 10 10 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 11 1  o 111.1243 43.30259 0.5540737      0.9811352 1.599037       1.371066  -0.5426496     1.404612  154.0777 52.50161 104.5356 46.65654 49.54213       70.23711 
1 1 1 10 11 3  o 1033.417 16.15806 75.74531       2.363113  75.35158       3.323065  76.14812       3.361153  1029.536 22.80750 1034.933 22.94859 -5.397583      32.35460 
1 1 1 10 11 5  o 316.0562 20.59705 7.125353       0.9162558 5.813535       1.258791  8.603555       1.336237  283.5840 31.91920 346.4409 27.47922 -62.85690      42.11820 
1 1 1 10 11 7  o 778.7398 14.34853 42.99038       1.581319  42.10780       2.183036  43.96471       2.293713  769.7742 20.05616 786.4799 20.62560 -16.70575      28.76917 
1 1 1 10 11 9  o 910.7021 16.78715 58.81768       2.163580  59.79869       3.128119  57.91796       2.995703  916.8683 24.12871 902.4520 23.47598 14.41632       33.66476 
1 1 1 10 11 11 o 712.4526 14.01032 35.96196       1.412615  35.82346       2.146786  36.06773       1.875969  710.1721 21.38457 712.9189 18.60961 -2.746765      28.34814 
1 1 1 10 11 13 o 1038.526 13.72214 76.39456       2.016782  77.01775       3.062443  75.91730       2.679987  1042.076 20.76581 1034.871 18.29897 7.204834       27.67799 
1 1 1 10 11 15 o 503.3551 19.43695 17.99043       1.381992  18.15443       1.905606  17.80846       2.007213  504.8709 26.76626 499.8055 28.49547 5.065369       39.09507 
1 1 1 10 11 17 o 1162.305 17.88609 95.79449       2.942085  95.61742       3.681247  96.10755       4.894878  1160.537 22.41384 1161.668 29.79879 -1.131592      37.28738 
1 1 1 10 11 19 o 628.7701 21.41685 28.11591       1.902974  26.52750       2.361106  31.06041       3.214698  609.7418 27.43237 658.3225 34.62672 -48.58069      44.17630 
1 1 1 10 11 21 o 565.0598 23.97130 22.76197       1.912573  21.78787       2.369530  24.58296       3.239770  551.5470 30.47553 583.6625 39.45411 -32.11554      49.85363 
1 1 1 10 11 23 f 804.5577 26.02131 46.23771       2.958930  44.35209       4.114550  48.25737       4.258266  784.1367 37.18346 818.1287 36.87305 -33.99194      52.36631 
1 1 1 10 11 25 o 681.6636 29.70251 33.45393       2.858508  35.44359       4.098314  31.56902       3.988984  695.9064 41.80630 655.8902 43.21534 40.01617       60.12764 
1 1 1 10 11 27 o 498.4144 37.28242 18.28652       2.610696  17.88495       3.822835  18.63750       3.573887  480.6049 57.33474 494.5142 51.83667 -13.90924      77.29368 
1 1 1 10 11 29 o 291.3323 58.49783 6.848418       2.327976  3.240499       3.111357  11.43717       3.508883  205.8866 77.89844 370.1523 69.53616 -164.2657      104.4196 
1 1 1 10 11 31 o 328.3155 70.29926 9.563805       3.167848  9.172265       4.320304  10.01911       4.658854  295.8801 92.75549 304.9840 96.41823 -9.103912      133.7911 
1 1 1 10 11 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 11 35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 12 0  o 137.0591 63.90924 1.973805       1.379783  1.973805       1.379783  1.973805       1.379783  137.0591 63.90924 137.0591 63.90924 0.000000       0.000000 
1 1 1 10 12 2  o 794.4808 15.13207 44.75831       1.701381  46.17331       2.654724  43.77200       2.216395  805.4432 23.31428 784.8134 19.97165 20.62976       30.69890 
1 1 1 10 12 4  o 521.6206 15.49136 19.31239       1.142306  19.41306       1.599830  19.20769       1.631567  522.2109 21.69477 519.3558 22.24989 2.855164       31.07605 
1 1 1 10 12 6  f 381.4637 19.19711 10.35574       1.033025  10.84924       1.440935  9.833879       1.481756  389.5188 26.29350 370.4099 28.48527 19.10892       38.76543 
1 1 1 10 12 8  o 1096.660 16.82573 85.28676       2.611355  89.98766       3.807410  81.11123       3.588347  1125.229 23.90941 1068.327 23.73398 56.90283       33.68919 
1 1 1 10 12 10 o 731.8844 13.73165 37.94852       1.422280  37.19896       2.119964  38.56206       1.917984  723.7738 20.71824 737.4280 18.37831 -13.65424      27.69490 
1 1 1 10 12 12 f 738.3687 15.23004 38.62650       1.591454  37.53867       2.221877  39.77256       2.280583  727.1129 21.61627 748.4611 21.55309 -21.34814      30.52538 
1 1 1 10 12 14 o 750.9377 16.26937 39.95840       1.728998  39.93155       2.361228  39.98943       2.538756  749.8973 22.27399 750.2372 23.94192 -0.3399658     32.70086 
1 1 1 10 12 16 o 1044.289 17.42711 77.31808       2.575525  75.73042       3.207131  80.20158       4.322107  1032.921 21.93966 1061.404 28.80027 -28.48352      36.20503 
1 1 1 10 12 18 o 871.8195 19.04470 53.94526       2.349744  55.88519       3.024265  50.99041       3.732448  886.2247 24.13574 844.8872 31.26980 41.33752       39.50107 
1 1 1 10 12 20 o 300.3707 38.18154 6.574078       1.586418  7.409274       1.993836  5.133059       2.618967  317.3237 45.71554 258.7751 69.88522 58.54858       83.50961 
1 1 1 10 12 22 o 519.4603 26.69079 19.30520       1.955577  20.69474       2.492509  17.08020       3.154029  536.3578 32.99663 482.9936 46.72571 53.36423       57.20201 
1 1 1 10 12 24 o 195.3017 65.15854 2.793532       2.111930  3.869802       2.909315  1.594583       3.070652  226.8498 76.48569 186.8996 75.37653 39.95023       107.3857 
1 1 1 10 12 26 o 306.3350 54.15934 7.270747       2.262088  8.452650       3.280134  6.198858       3.123744  320.1170 73.90008 272.3008 77.41114 47.81619       107.0220 
1 1 1 10 12 28 o 116.7875 54.67648 -1.754254      2.260607  -0.1073977     3.233869  -3.328055      3.161328  160.1993 71.19055 128.5178 61.46569 31.68158       94.05385 
1 1 1 10 12 30 o 130.1814 58.60007 -0.4160727     2.267866  3.007789       3.405321  -3.144986      3.040149  198.7074 79.64185 124.0771 59.58853 74.63026       99.46667 
1 1 1 10 12 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 12 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 13 1  o 709.8644 14.20200 35.72246       1.426740  35.37749       2.001777  36.07864       2.034040  705.4991 20.06971 712.4418 20.19429 -6.942627      28.47108 
1 1 1 10 13 3  o 149.4837 39.33878 1.660741       0.8433511 2.302027       1.175193  0.9798173      1.210968  175.5718 46.54800 131.5827 48.84188 43.98901       67.47034 
1 1 1 10 13 5  o 566.4231 15.60573 22.76578       1.249772  25.04617       1.801336  20.64928       1.735398  593.4150 21.48492 538.5552 22.82100 54.85974       31.34326 
1 1 1 10 13 7  o 251.1388 26.11865 4.532888       0.9147468 2.473437       1.166477  7.822152       1.474178  182.0626 45.42351 329.7328 31.99294 -147.6703      55.55937 
1 1 1 10 13 9  o 644.3008 16.38922 29.44251       1.493187  31.23282       2.327612  28.19047       1.946498  662.6313 24.86509 629.8677 21.86976 32.76367       33.11433 
1 1 1 10 13 11 o 418.3677 18.00982 12.43024       1.063822  14.34791       1.657066  11.08573       1.387511  448.6939 26.20988 394.3506 24.99044 54.34338       36.21436 
1 1 1 10 13 13 o 1214.134 14.07896 104.4210       2.419116  106.5673       3.700592  102.8195       3.196740  1225.697 21.33380 1204.287 18.75675 21.41003       28.40681 
1 1 1 10 13 15 o 292.2005 29.26675 6.134595       1.193978  5.594740       1.594456  6.823773       1.801522  276.5910 42.05677 305.8947 42.78329 -29.30365      59.99318 
1 1 1 10 13 17 o 1269.445 18.22561 114.3424       3.274279  114.9995       4.167145  113.2821       5.293382  1272.021 23.14859 1260.704 29.66882 11.31714       37.63105 
1 1 1 10 13 19 o 284.4495 39.48709 5.917255       1.546763  4.362799       1.866542  9.324484       2.763433  240.0768 55.97322 353.3707 57.21291 -113.2939      80.03948 
1 1 1 10 13 21 o 288.0692 41.94374 6.108911       1.659773  8.583529       2.079380  1.763919       2.755334  341.8412 44.00171 185.8640 72.52655 155.9772       84.83072 
1 1 1 10 13 23 o 467.3594 36.59946 15.86352       2.401430  17.87724       3.476225  14.02525       3.321336  490.7125 50.78991 432.0434 55.60889 58.66910       75.31244 
1 1 1 10 13 25 f 450.7158 38.47339 14.94758       2.430606  15.84033       3.482884  14.09999       3.393646  455.2229 55.18808 427.8643 57.49971 27.35867       79.69906 
1 1 1 10 13 27 o 182.5737 66.35658 2.426440       2.216341  6.509548       3.147752  -1.588010      3.121175  274.7263 77.57538 142.6665 65.91922 132.0598       101.8002 
1 1 1 10 13 29 o 131.3224 58.77560 -0.3414284     2.245633  -2.637492      3.031261  2.451538       3.343215  128.5534 61.11982 191.7007 78.15912 -63.14729      99.21935 
1 1 1 10 13 31 o 237.7108 79.51406 5.647636       3.144715  6.548637       4.347261  4.658651       4.554577  242.6746 92.01938 216.4792 90.03741 26.19534       128.7412 
1 1 1 10 13 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 14 0  o 952.2086 17.18292 64.30033       2.313822  64.30033       2.313822  64.30033       2.313822  952.2086 17.18292 952.2086 17.18292 0.000000       0.000000 
1 1 1 10 14 2  f 670.6657 12.92978 31.87113       1.227205  32.05170       1.734439  31.69010       1.736622  671.8598 18.25843 668.0401 18.38637 3.819702       25.91195 
1 1 1 10 14 4  o 1064.747 12.32033 80.31342       1.856474  80.42914       2.628538  80.19823       2.622373  1064.893 17.44169 1063.366 17.42577 1.527466       24.65502 
1 1 1 10 14 6  o 237.3291 25.64472 4.049588       0.8476653 3.606651       1.183095  4.516817       1.215105  221.4110 39.19119 249.1491 35.46156 -27.73804      52.85330 
1 1 1 10 14 8  o 390.1907 19.76823 10.82624       1.088046  12.21533       1.538182  9.435173       1.539276  413.7809 26.40520 362.9137 30.24517 50.86725       40.14978 
1 1 1 10 14 10 o 338.3055 21.13338 8.149957       1.006753  7.586293       1.522752  8.587663       1.341869  324.7164 33.62228 346.5612 27.58717 -21.84482      43.49149 
1 1 1 10 14 12 o 544.0365 16.23374 20.99244       1.248476  22.41262       1.947117  20.00094       1.626933  561.3282 24.57021 530.5234 21.71522 30.80481       32.79095 
1 1 1 10 14 14 o 251.1948 33.13564 4.572968       1.149247  4.655396       1.531443  4.466708       1.738792  251.2362 44.71140 244.6464 51.83497 6.589767       68.45417 
1 1 1 10 14 16 o 1282.792 17.95439 116.7519       3.259467  111.8856       3.988961  126.5294       5.654234  1254.827 22.46240 1332.245 29.98954 -77.41833      37.46909 
1 1 1 10 14 18 o 553.1221 23.17842 21.79955       1.810344  22.04166       2.248353  21.35322       3.052748  555.1696 28.71423 543.7258 39.95160 11.44379       49.19997 
1 1 1 10 14 20 o 157.6524 56.08918 1.602053       1.573861  1.848584       1.943881  1.132899       2.681583  171.3438 62.16312 173.3383 70.24783 -1.994492      93.80304 
1 1 1 10 14 22 o 120.1419 52.44597 -0.2255281     1.683522  -0.4055432     2.098027  0.9996860E-01  2.821174  131.5727 57.95690 159.6888 68.80421 -28.11617      89.96123 
1 1 1 10 14 24 o 277.4745 56.98408 6.001118       2.162712  5.380605       2.955952  6.715922       3.172601  256.6955 76.00063 285.4174 76.84800 -28.72189      108.0820 
1 1 1 10 14 26 o 627.9269 33.61320 28.87058       2.976139  26.57292       4.008788  31.69206       4.442310  591.9237 48.27385 646.1023 48.94753 -54.17859      68.74755 
1 1 1 10 14 28 o 237.5672 66.83420 4.806774       2.340906  4.693664       3.247171  4.929164       3.377771  230.9673 80.70335 235.3730 82.30559 -4.405731      115.2703 
1 1 1 10 14 30 o 144.4248 65.95999 -0.4071453     3.002409  0.4775508      4.079392  -1.452783      4.434954  170.3988 77.45905 159.8900 75.39471 10.50873       108.0938 
1 1 1 10 14 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 14 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 15 1  f 265.0160 22.86846 5.025058       0.8493048 5.921288       1.204053  4.137570       1.198166  286.7997 30.11383 237.9619 36.76208 48.83774       47.52150 
1 1 1 10 15 3  o 590.0692 13.82672 24.66988       1.154627  22.67952       1.588904  26.89698       1.680743  565.0200 19.90182 615.4422 19.32113 -50.42224      27.73786 
1 1 1 10 15 5  o 444.2952 16.40871 14.01101       1.029957  14.02465       1.461897  13.99756       1.451320  443.8137 23.35757 443.4011 23.20926 0.4125977      32.92789 
1 1 1 10 15 7  o 600.9012 14.15275 25.58051       1.203549  24.37100       1.643828  26.97804       1.766989  585.8546 19.85523 616.3829 20.28408 -30.52838      28.38439 
1 1 1 10 15 9  o 281.0416 27.82217 5.667150       1.092070  5.150437       1.623458  6.094205       1.475904  264.7697 44.93094 290.1204 36.77157 -25.35071      58.05978 
1 1 1 10 15 11 o 714.7694 14.45701 36.19423       1.462394  37.62429       2.278896  35.19308       1.906774  727.8352 22.15018 704.2396 19.14972 23.59564       29.28041 
1 1 1 10 15 13 o 421.6747 19.11051 12.63888       1.137468  12.00574       1.738406  13.11288       1.504148  409.5439 30.20634 428.8637 24.88982 -19.31976      39.13982 
1 1 1 10 15 15 o 545.6104 19.54835 21.15979       1.506989  22.08156       2.035529  20.04177       2.241777  556.4481 25.91957 529.3420 30.04856 27.10608       39.68300 
1 1 1 10 15 17 o 708.5757 19.93089 35.69427       1.996647  39.06086       2.487274  29.59353       3.348267  740.5449 23.76376 641.3513 37.04730 99.19360       44.01385 
1 1 1 10 15 19 f 583.6047 23.28162 24.28866       1.919019  22.03203       2.334967  28.98528       3.368545  554.3790 29.87178 633.7843 37.72688 -79.40527      48.12111 
1 1 1 10 15 21 o 688.9985 23.69701 33.90403       2.307197  32.21246       2.824906  37.29309       3.998513  669.7435 29.87930 716.8539 39.56725 -47.11041      49.58165 
1 1 1 10 15 23 o 416.0090 33.21516 12.59477       1.939275  11.07944       2.373921  15.63459       3.362312  385.8567 44.27417 454.5493 53.27809 -68.69266      69.27306 
1 1 1 10 15 25 o 411.6771 43.39401 12.73435       2.490184  13.96189       3.517854  11.50149       3.525462  420.0654 60.95363 375.2738 68.92067 44.79160       92.00763 
1 1 1 10 15 27 o 142.3307 60.62852 0.5227319      2.144974  3.015502       2.968972  -2.198992      3.102323  199.2173 75.92645 134.8895 63.43603 64.32787       98.93915 
1 1 1 10 15 29 o 142.7891 62.11729 0.4938570      2.344385  3.119731       3.363097  -1.988335      3.269792  195.9484 78.93427 136.4525 64.46249 59.49596       101.9119 
1 1 1 10 15 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 15 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 16 0  f 882.5434 18.00618 55.23936       2.246825  55.23936       2.246825  55.23936       2.246825  882.5434 18.00618 882.5434 18.00618 0.000000       0.000000 
1 1 1 10 16 2  o 439.1811 16.46954 13.69051       1.021821  15.50559       1.487080  12.06695       1.406436  466.8281 22.57599 411.4934 24.25874 55.33469       33.13853 
1 1 1 10 16 4  o 533.4490 14.94818 20.17901       1.127386  20.26425       1.579925  20.09059       1.609206  534.0300 20.94567 531.6813 21.43044 2.348633       29.96640 
1 1 1 10 16 6  o 790.4393 13.08695 44.25434       1.463952  45.51499       2.089639  43.03920       2.051566  801.2299 18.42869 779.1190 18.60638 22.11090       26.18805 
1 1 1 10 16 8  o 97.15701 41.46092 -0.1687163E-01 1.006317  -0.5090166     1.460019  0.4285176      1.388934  107.8717 47.89138 123.6959 50.39832 -15.82424      69.52392 
1 1 1 10 16 10 f 597.8086 15.70561 25.34295       1.327579  29.22841       2.066884  22.61416       1.732125  641.2931 22.81035 564.1039 21.73772 77.18915       31.50937 
1 1 1 10 16 12 o 448.7245 18.63029 14.30788       1.180520  14.28066       1.811284  14.32798       1.556539  446.9995 28.78556 448.3394 24.62661 -1.339813      37.88243 
1 1 1 10 16 14 o 258.6008 36.39108 4.877328       1.295028  5.707067       1.735844  3.835791       1.944811  278.0199 45.70474 225.3191 59.94654 52.70081       75.38243 
1 1 1 10 16 16 o 962.7887 18.46777 65.81770       2.516317  68.58714       3.189199  61.25007       4.095717  981.9203 22.95016 925.2961 31.32247 56.62427       38.83049 
1 1 1 10 16 18 o 313.4936 35.11736 7.138112       1.531265  6.221269       1.823648  9.329714       2.819515  289.6616 46.02454 351.9559 58.67077 -62.29434      74.56888 
1 1 1 10 16 20 f 147.6373 55.83599 1.222746       1.598138  0.8181218E-01  1.983047  3.336743       2.699323  135.6223 58.04708 214.7512 73.65400 -79.12895      93.77833 
1 1 1 10 16 22 o 282.5783 46.90760 6.031382       1.810121  6.065516       2.191682  5.958136       3.210521  279.4271 57.34642 269.8029 79.02748 9.624146       97.64198 
1 1 1 10 16 24 o 404.8337 35.93990 12.09000       2.037704  10.67795       2.467808  15.11562       3.612381  374.5828 47.62806 438.4261 59.77593 -63.84332      76.43032 
1 1 1 10 16 26 o 526.4803 36.75394 20.61084       2.721258  16.40539       3.878941  24.68657       3.818647  449.4885 62.68069 566.9851 48.04208 -117.4966      78.97411 
1 1 1 10 16 28 o 120.9406 55.34939 -0.7747459     2.128602  -4.081004      2.927468  2.934099       3.100581  113.9472 55.59802 192.7769 76.41234 -78.82969      94.49860 
1 1 1 10 16 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 16 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 17 1  o 358.3648 21.08071 9.142512       1.064407  9.061924       1.620991  9.203599       1.411299  355.2845 32.60238 358.7403 28.02049 -3.455780      42.98910 
1 1 1 10 17 3  o 557.1186 14.90218 22.00680       1.173889  22.19462       1.659834  21.81885       1.660425  558.9402 21.02103 554.1616 21.21122 4.778687       29.86302 
1 1 1 10 17 5  o 366.2453 19.60896 9.539638       1.012652  9.370308       1.397556  9.726812       1.469354  362.0831 27.47869 368.8269 28.36816 -6.743774      39.49469 
1 1 1 10 17 7  o 463.7377 18.53989 15.27257       1.214292  14.92901       1.680086  15.64832       1.757033  457.6696 26.04693 468.5280 26.60807 -10.85846      37.23483 
1 1 1 10 17 9  f 229.2743 30.05308 3.804557       0.9516797 2.409923       1.367171  5.115571       1.325551  180.6135 51.16799 265.3404 36.24645 -84.72688      62.70541 
1 1 1 10 17 11 o 362.1421 21.45218 9.345057       1.094511  10.20004       1.671953  8.703900       1.447863  376.9307 31.63476 348.3137 29.65393 28.61697       43.36028 
1 1 1 10 17 13 o 347.3155 23.72900 8.619415       1.159330  6.864942       1.822953  9.810905       1.502267  305.9710 43.30847 369.8259 28.93334 -63.85486      52.08418 
1 1 1 10 17 15 o 576.0647 19.90594 23.60662       1.620394  23.25524       2.142246  24.07648       2.477252  570.5709 26.60340 579.7769 30.29696 -9.205994      40.31931 
1 1 1 10 17 17 o 219.2099 49.83453 3.633092       1.510870  4.173808       1.830393  2.476954       2.676485  234.0347 56.01196 197.8315 72.75823 36.20317       91.82102 
1 1 1 10 17 19 o 375.3285 34.55458 10.22231       1.814839  10.56590       2.192281  9.474069       3.235136  379.6041 41.48248 349.3777 67.87672 30.22635       79.54901 
1 1 1 10 17 21 o 328.7441 40.55364 8.000217       1.846769  6.836882       2.287028  10.18030       3.130798  297.5698 56.37095 361.0959 63.58667 -63.52609      84.97617 
1 1 1 10 17 23 f 307.4729 44.99831 7.177861       1.900087  8.640289       2.320980  4.206008       3.308627  335.0900 50.51109 228.5902 81.32452 106.4998       95.73425 
1 1 1 10 17 25 o 381.5079 36.26635 10.84182       1.934544  11.99175       2.328608  8.280087       3.475573  398.1221 41.95978 305.0801 79.65456 93.04202       90.03040 
1 1 1 10 17 27 o 171.3062 64.77038 2.193655       2.150167  3.747236       3.226835  0.9529844      2.883620  208.3461 79.21465 161.1881 69.50673 47.15800       105.3857 
1 1 1 10 17 29 o 114.3339 55.45726 -3.135895      2.797309  -0.9152352     4.005306  -5.250461      3.908458  153.7823 72.24512 125.5029 61.84153 28.27942       95.09853 
1 1 1 10 17 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 18 0  o 461.2027 24.49773 15.20507       1.588592  15.20507       1.588592  15.20507       1.588592  461.2027 24.49773 461.2027 24.49773 0.000000       0.000000 
1 1 1 10 18 2  o 410.1527 18.16476 11.95067       1.051759  10.32621       1.477004  13.62173       1.498044  380.1435 27.64345 437.3063 24.30134 -57.16284      36.80646 
1 1 1 10 18 4  o 239.3646 27.97411 4.128380       0.9297754 3.919445       1.296545  4.349581       1.334059  230.7780 41.21070 243.6320 40.08484 -12.85399      57.49014 
1 1 1 10 18 6  o 635.1479 14.37303 28.58429       1.291942  28.89914       1.797919  28.24814       1.857710  637.9287 19.93939 630.5906 20.84529 7.338135       28.84624 
1 1 1 10 18 8  o 440.0549 20.64955 13.77550       1.282402  14.44028       1.907272  13.22698       1.732482  449.2522 30.17371 430.1227 28.62431 19.12946       41.59090 
1 1 1 10 18 10 o 179.6096 39.35612 2.400630       0.9726725 1.981395       1.441198  2.751335       1.318156  167.1013 53.71632 191.6308 48.55469 -24.52951      72.40857 
1 1 1 10 18 12 o 119.0521 44.69117 0.7689812      1.019594  0.6394333E-01  1.473150  1.417255       1.412603  118.4094 50.33480 149.3810 53.13896 -30.97158      73.19386 
1 1 1 10 18 14 o 246.7667 37.71325 4.470670       1.275300  5.149231       1.682761  3.555041       1.954735  262.9381 46.94451 216.6656 61.11498 46.27248       77.06379 
1 1 1 10 18 16 o 336.3023 34.80769 8.205344       1.632708  10.34985       1.980865  3.661400       2.883417  377.3942 37.58781 224.6768 76.14310 152.7174       84.91534 
1 1 1 10 18 18 o 657.5667 22.89100 30.87275       2.126971  32.12460       2.596995  28.32212       3.706973  669.4735 27.46890 623.0503 42.29200 46.42322       50.42970 
1 1 1 10 18 20 o 216.2385 57.66501 3.649449       1.796968  5.072939       2.216307  0.9181431      3.069997  253.5186 62.23969 174.9134 73.41861 78.60515       96.25005 
1 1 1 10 18 22 f 285.4952 47.81003 6.258652       1.863451  5.162840       2.280288  8.461647       3.233169  251.8570 63.88787 318.2498 73.29865 -66.39281      97.23349 
1 1 1 10 18 24 o 240.2513 53.03423 4.614891       1.754867  3.720806       2.124539  6.534822       3.113280  211.9503 64.81298 272.1966 77.24793 -60.24625      100.8363 
1 1 1 10 18 26 o 147.6392 61.71400 0.9554504      2.155524  -0.1012505     3.126729  1.912485       2.975624  153.1551 68.88580 176.7617 73.08030 -23.60660      100.4290 
1 1 1 10 18 28 f 178.4297 71.37562 2.634129       2.729642  0.7911426      3.755252  4.698789       3.974681  165.2625 74.80349 212.7862 85.77837 -47.52371      113.8134 
1 1 1 10 18 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 18 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 19 1  o 506.4387 16.43204 18.20114       1.176150  16.90129       1.645348  19.55940       1.681910  487.1914 23.93701 524.3433 22.71953 -37.15189      33.00238 
1 1 1 10 19 3  o 391.1877 19.99542 10.88691       1.103297  12.39538       1.590330  9.487236       1.531904  416.5913 27.12219 363.7970 30.02148 52.79425       40.45865 
1 1 1 10 19 5  o 526.7107 16.84506 19.69277       1.254024  17.01938       1.807119  22.17584       1.741609  488.4653 26.23796 558.3541 22.08404 -69.88879      34.29483 
1 1 1 10 19 7  o 144.8870 46.95820 1.469289       1.099931  1.286716       1.645382  1.616799       1.478966  151.8464 56.82033 156.8689 54.48684 -5.022476      78.72334 
1 1 1 10 19 9  o 70.77824 33.82656 -1.290198      0.9537842 0.4073360      1.394072  -2.784060      1.307770  122.8158 50.31896 72.59464 35.77117 50.22120       61.73795 
1 1 1 10 19 11 o 344.5170 22.51245 8.478576       1.091611  10.33939       1.655375  7.046770       1.452069  379.1021 31.12858 312.0414 33.40075 67.06073       45.65741 
1 1 1 10 19 13 o 102.6671 42.81136 0.1778002      1.033578  2.283473       1.661526  -1.151364      1.320082  178.2427 57.70979 91.03137 42.33964 87.21135       71.57558 
1 1 1 10 19 15 f 288.8310 38.69269 6.117925       1.541837  6.905924       2.114598  5.223444       2.252944  303.5910 51.02560 260.3503 62.03288 43.24066       80.32242 
1 1 1 10 19 17 o 412.3947 31.60393 12.28946       1.830426  11.97438       2.180954  13.04024       3.366589  405.0150 38.51304 414.7269 59.02411 -9.711975      70.47765 
1 1 1 10 19 19 o 178.2806 57.68780 2.372147       1.660409  2.916194       1.982760  1.094949       3.037954  195.8094 63.01136 176.5344 73.48797 19.27502       96.80347 
1 1 1 10 19 21 o 281.2913 45.58909 6.042495       1.752767  4.730467       2.060069  9.482655       3.335796  242.2344 60.32385 338.0629 71.93549 -95.82854      93.88122 
1 1 1 10 19 23 o 191.3652 59.48807 2.954504       1.780987  2.656072       2.169853  3.570642       3.117787  185.5016 65.87259 210.9734 78.35873 -25.47186      102.3684 
1 1 1 10 19 25 o 189.0343 59.62387 2.970425       1.782508  1.425138       2.182327  6.067725       3.089632  156.7036 63.42069 255.4652 78.16743 -98.76167      100.6595 
1 1 1 10 19 27 o 106.1548 51.51941 -2.960842      2.423206  -3.824569      3.025708  -1.415986      4.046530  115.3447 56.33276 151.0482 71.46353 -35.70351      90.99679 
1 1 1 10 19 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 19 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 20 0  o 105.2010 59.85159 1.038835       1.387996  1.038835       1.387996  1.038835       1.387996  105.2010 59.85159 105.2010 59.85159 0.000000       0.000000 
1 1 1 10 20 2  o 228.1058 31.76367 3.782334       0.9976090 3.817595       1.425339  3.748474       1.396760  226.3383 46.06646 224.3301 45.55312 2.008224       64.78584 
1 1 1 10 20 4  o 394.5094 20.20953 11.08156       1.124563  12.15213       1.604206  10.04713       1.576889  412.1042 27.66668 374.1438 30.03332 37.96036       40.83437 
1 1 1 10 20 6  o 301.4361 25.62668 6.515592       1.082866  6.294299       1.388605  6.859001       1.729816  294.7600 33.90500 306.3258 40.92516 -11.56580      53.14525 
1 1 1 10 20 8  o 589.4558 16.23026 24.67185       1.352643  25.82646       1.997968  23.69484       1.837893  601.9705 23.49787 576.7188 22.56187 25.25171       32.57587 
1 1 1 10 20 10 o 174.2170 43.44841 2.277401       1.067558  1.418321       1.561784  3.030833       1.462601  152.5341 55.66290 200.2817 51.36074 -47.74762      75.73826 
1 1 1 10 20 12 o 141.3186 46.31926 1.400223       1.068673  4.047181       1.655026  -0.4926413     1.399558  231.0981 51.87941 104.7875 46.68350 126.3105       69.79128 
1 1 1 10 20 14 o 219.2614 47.77346 3.636184       1.440403  4.146164       1.864515  2.881301       2.268450  232.4530 57.09801 200.1350 67.53823 32.31796       88.43979 
1 1 1 10 20 16 f 306.6938 39.80558 6.934232       1.686983  8.884174       2.018835  2.421766       3.071121  347.0204 41.95895 200.5821 77.02843 146.4383       87.71507 
1 1 1 10 20 18 o 264.3329 46.94752 5.309206       1.691903  4.314731       1.990734  7.895988       3.210676  233.7859 59.90354 310.9139 74.03570 -77.12799      95.23507 
1 1 1 10 20 20 o 98.79599 46.22832 -1.375120      1.612343  -0.9426969     1.877229  -2.591288      3.148179  114.0472 52.11280 134.6872 63.51412 -20.63998      82.15709 
1 1 1 10 20 22 o 130.4160 54.58407 0.5290229      1.689463  -1.252256      2.002924  4.921801       3.145343  113.3682 52.53042 236.7765 79.52618 -123.4083      95.30928 
1 1 1 10 20 24 o 175.7718 61.17779 2.476323       1.864980  3.060468       2.139407  0.6274551      3.806153  191.3878 65.57373 172.5422 76.91972 18.84555       101.0770 
1 1 1 10 20 26 o 123.1275 57.47831 -1.148584      2.468633  0.6568624      3.099869  -4.278746      4.081639  155.1756 69.28133 133.9283 65.41290 21.24728       95.28248 
1 1 1 10 20 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 20 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 21 1  f 325.8421 24.34468 7.599264       1.114501  7.220373       1.538240  8.017945       1.616994  315.6192 35.02735 332.8269 34.84558 -17.20767      49.40779 
1 1 1 10 21 3  o 320.2922 24.75201 7.347847       1.113259  6.365529       1.544957  8.408746       1.605562  295.4583 37.81449 341.1218 33.69786 -45.66348      50.65059 
1 1 1 10 21 5  o 129.6877 44.30003 1.123846       0.9762673 -0.4646066     1.337141  2.937290       1.428704  102.7446 45.71076 197.3279 50.84483 -94.58329      68.37156 
1 1 1 10 21 7  f 356.7859 25.55855 9.119557       1.281968  6.574014       1.815618  11.65034       1.810347  298.4860 44.32543 402.1961 32.07109 -103.7101      54.71105 
1 1 1 10 21 9  o 86.88353 39.29729 -0.5458088     1.034099  -0.9254560     1.509482  -0.2100597     1.419532  102.5711 46.81606 110.6870 48.24139 -8.115921      67.22332 
1 1 1 10 21 11 o 116.1195 45.15099 0.6333028      1.064858  1.388619       1.610791  0.4696952E-01  1.419211  152.4326 56.37687 115.4975 49.26098 36.93512       74.86652 
1 1 1 10 21 13 o 95.02846 41.94324 -0.2915687     1.104005  -1.095237      1.674633  0.3262105      1.468243  106.5490 48.88619 122.8321 51.10711 -16.28313      70.72338 
1 1 1 10 21 15 o 251.9188 44.11267 4.767780       1.515418  5.193599       1.894160  4.010519       2.525965  260.1961 53.23534 226.9687 70.89088 33.22742       88.65393 
1 1 1 10 21 17 o 283.5656 42.57736 6.038897       1.655921  8.414885       1.962135  0.1582812      3.086869  335.7545 42.22572 163.5956 71.22210 172.1589       82.79855 
1 1 1 10 21 19 o 245.9047 48.71431 4.711203       1.635319  3.082980       1.880836  9.755136       3.310386  196.5475 61.13831 342.3836 70.66370 -145.8362      93.44115 
1 1 1 10 21 21 o 173.2799 58.07046 2.345415       1.677180  2.527237       1.971789  1.869654       3.189566  180.1836 62.89299 182.6566 75.60319 -2.473038      98.34312 
1 1 1 10 21 23 o 113.5673 51.04588 -0.4034994     1.713706  -1.384352      1.914492  3.550646       3.843952  107.4945 50.32292 208.0233 84.17781 -100.5288      98.07294 
1 1 1 10 21 25 o 168.4738 67.26450 2.199365       2.419576  3.119598       3.321440  1.158854       3.531839  189.3808 77.63942 166.4144 74.14789 22.96631       107.3582 
1 1 1 10 21 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 21 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 22 0  o 169.4093 67.10047 2.849048       1.549752  2.849048       1.549752  2.849048       1.549752  169.4093 67.10047 169.4093 67.10047 0.000000       0.000000 
1 1 1 10 22 2  o 120.1188 45.33862 0.7753751      1.052513  1.811502       1.498487  -0.2335250     1.478667  162.1139 54.89165 112.6810 49.17103 49.43289       73.69453 
1 1 1 10 22 4  o 175.9720 43.41797 2.327364       1.074517  1.345991       1.491956  3.384990       1.548833  148.7766 54.38671 211.2454 52.13098 -62.46887      75.33627 
1 1 1 10 22 6  f 147.0145 49.15166 1.497698       1.201648  3.092078       1.818413  0.2617185      1.601040  202.5127 59.51829 126.5843 53.06896 75.92842       79.74171 
1 1 1 10 22 8  f 115.1657 45.44703 0.5649793      1.092338  0.6926479      1.628906  0.4606497      1.472507  136.3715 54.93449 126.1693 51.70654 10.20222       75.44113 
1 1 1 10 22 10 o 121.4380 46.07939 0.7890099      1.090559  -0.4811172     1.603873  1.881192       1.487284  112.9569 50.16960 163.3539 54.68341 -50.39693      74.21095 
1 1 1 10 22 12 o 140.9841 47.20461 1.387544       1.108279  4.197606       1.684184  -0.7586809     1.471869  234.1734 52.15757 103.0075 46.70716 131.1659       70.01408 
1 1 1 10 22 14 o 239.3130 43.49241 4.317840       1.418748  4.263832       1.731157  4.428312       2.475893  234.7850 53.32104 236.1379 69.46280 -1.352859      87.56834 
1 1 1 10 22 16 o 163.7536 56.30335 1.937414       1.577641  -0.6902672E-01 1.816921  8.085674       3.180527  125.5378 54.64770 312.6166 73.18851 -187.0788      91.33963 
1 1 1 10 22 18 f 131.6259 53.00014 0.7891719      1.515508  -0.7508541     1.729715  5.877407       3.144083  111.0157 50.45459 259.3718 78.75243 -148.3561      93.52866 
1 1 1 10 22 20 o 197.4856 56.04827 3.184810       1.638919  3.215590       1.841863  3.067774       3.591600  197.5835 60.33337 203.9628 81.77646 -6.379288      101.6243 
1 1 1 10 22 22 o 105.7421 48.85438 -0.9516205     1.713859  -1.525063      1.954986  0.9523709      3.562307  107.0447 50.34628 171.2221 75.46751 -64.17731      90.71986 
1 1 1 10 22 24 f 113.7619 53.67163 -1.497730      2.252877  -0.4066423     2.942650  -3.042982      3.501937  140.4265 64.56685 130.0276 62.82364 10.39885       90.08711 
1 1 1 10 22 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 22 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 23 1  o 123.0756 46.56496 0.8155578      1.111739  1.079587       1.566359  0.5475278      1.578181  143.5358 55.03889 131.6063 53.68421 11.92947       76.88481 
1 1 1 10 23 3  o 180.4408 44.13510 2.455321       1.117571  5.070934       1.634027  0.1565012      1.531880  260.4922 46.00639 121.8682 51.54593 138.6240       69.09103 
1 1 1 10 23 5  o 108.3103 44.99994 0.2395259      1.135960  1.964777       1.715394  -1.107956      1.516000  169.4521 58.69016 100.0177 46.11607 69.43443       74.64065 
1 1 1 10 23 7  f 202.1854 42.38329 3.073853       1.173894  3.407692       1.722544  2.784363       1.604055  210.8307 56.56380 191.7498 55.77406 19.08090       79.43683 
1 1 1 10 23 9  f 100.9219 43.76411 -0.1154752     1.156050  -0.4390201     1.706360  0.1590288      1.571729  117.2616 51.93217 122.9019 52.10781 -5.640312      73.56748 
1 1 1 10 23 11 f 179.9688 51.13699 2.468353       1.363475  -3.514500      2.864290  4.221283       1.550405  122.0203 58.39825 235.4090 48.16229 -113.3887      75.69651 
1 1 1 10 23 13 o 178.2188 45.07145 2.434769       1.137329  1.930364       1.652506  2.888728       1.567694  165.3994 57.58628 192.9614 54.83446 -27.56206      79.51728 
1 1 1 10 23 15 o 110.2716 47.76811 -0.3130945E-01 1.374314  -0.8237829     1.660607  1.691347       2.448352  108.0402 49.23203 171.7785 67.96091 -63.73830      83.91948 
1 1 1 10 23 17 f 139.3205 54.51694 1.088487       1.560408  1.746213       1.726498  -1.845053      3.646192  158.6152 58.41899 150.8501 70.23096 7.765060       91.35188 
1 1 1 10 23 19 o 106.2608 47.83150 -0.4641869     1.510869  0.1828017      1.663892  -3.504251      3.606767  122.3114 52.77079 135.3236 64.96744 -13.01216      83.69901 
1 1 1 10 23 21 o 104.8821 50.59932 -2.710459      2.251224  -3.028172      2.940941  -2.260832      3.498608  121.1026 58.27518 139.3072 66.06755 -18.20465      88.09607 
1 1 1 10 23 23 o 116.7921 54.54930 -1.097118      2.228173  -2.105457      2.965283  0.2106056      3.376921  125.1597 59.76939 153.0731 69.92619 -27.91342      91.98941 
1 1 1 10 23 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 23 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 24 0  o 214.9821 65.27369 4.139071       1.732966  4.139071       1.732966  4.139071       1.732966  214.9821 65.27369 214.9821 65.27369 0.000000       0.000000 
1 1 1 10 24 2  f 167.5654 48.03273 2.110039       1.197785  2.053075       1.685396  2.168171       1.702582  170.9390 58.21027 174.3568 58.50950 -3.417816      82.53362 
1 1 1 10 24 4  o 88.10963 40.33266 -0.7340364     1.131073  0.2867437      1.620853  -1.702927      1.579120  127.1172 53.35107 94.87545 44.81379 32.24172       69.67506 
1 1 1 10 24 6  o 120.3613 49.18456 0.4534224      1.327593  0.5373812      2.071110  0.3948637      1.729680  145.5450 60.63972 132.6438 55.35219 12.90126       82.10384 
1 1 1 10 24 8  o 111.0369 46.48874 0.2238867      1.226118  0.4864255      1.844710  0.1610924E-01  1.641083  137.6043 57.27219 122.2399 52.57052 15.36440       77.74165 
1 1 1 10 24 10 o 110.0180 45.78995 0.2722698      1.179160  0.8124011      1.710311  -0.2170674     1.627907  139.6733 56.28133 117.2380 51.36591 22.43534       76.19741 
1 1 1 10 24 12 o 111.1537 45.05553 0.4527919      1.103368  1.415961       1.588289  -0.4455721     1.533926  149.8499 55.87539 109.3275 48.77868 40.52240       74.17155 
1 1 1 10 24 14 o 122.4941 50.67104 0.4857623      1.431576  0.4476856      1.669643  0.5914575      2.781774  129.0719 54.15828 159.4784 68.51288 -30.40654      87.33347 
1 1 1 10 24 16 o 186.1186 51.59201 2.776381       1.406030  1.742331       1.609801  6.102845       2.887305  156.1052 56.57891 263.3407 74.27475 -107.2355      93.36976 
1 1 1 10 24 18 o 221.3568 50.03492 3.956772       1.530450  3.237927       1.672341  7.661780       3.796660  197.4823 56.80209 279.8346 86.83446 -82.35222      103.7627 
1 1 1 10 24 20 o 97.94811 48.01757 -3.619029      2.261315  -0.7947787     2.974629  -7.485808      3.480614  140.1813 64.62147 108.5801 54.29998 31.60116       84.40629 
1 1 1 10 24 22 f 155.2577 64.71193 1.614673       2.359974  1.547760       3.066559  1.711866       3.695858  162.5809 70.88074 170.7720 75.98453 -8.191086      103.9121 
1 1 1 10 24 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 24 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 25 1  f 86.05804 40.23442 -1.123128      1.217122  -2.678879      1.735243  0.3835013      1.707629  90.93426 44.00509 131.3903 54.92612 -40.45608      70.37988 
1 1 1 10 25 3  f 179.8483 48.04456 2.472080       1.246041  1.844245       1.764694  3.096333       1.759654  165.7098 59.34385 200.3043 58.46074 -34.59453      83.30276 
1 1 1 10 25 5  o 141.4030 52.21789 1.232184       1.380976  1.608115       2.121556  0.9557920      1.819128  166.6442 64.01527 145.8930 58.29892 20.75116       86.58359 
1 1 1 10 25 7  o 78.22988 37.63664 -1.749615      1.225190  -2.476678      1.785687  -1.102900      1.684130  94.40417 45.42302 105.8651 48.73770 -11.46095      66.62292 
1 1 1 10 25 9  o 136.1568 48.91277 1.222887       1.199867  0.9592990      1.798493  1.434311       1.610729  144.2708 57.85968 150.8526 56.26487 -6.581818      80.70612 
1 1 1 10 25 11 o 80.11232 37.84251 -1.184468      1.126307  -0.3275020E-01 1.604275  -2.303921      1.581644  118.2758 51.41997 87.36552 42.21346 30.91029       66.52811 
1 1 1 10 25 13 f 108.4314 44.11612 0.4447826      1.062445  2.750125       1.570199  -1.501935      1.442907  185.2893 55.52217 89.84550 42.55670 95.44377       69.95558 
1 1 1 10 25 15 o 81.03471 38.92930 -1.703638      1.299838  -1.074163      1.467183  -4.000480      2.802596  95.76298 44.57277 112.4763 54.77341 -16.71329      70.61769 
1 1 1 10 25 17 o 150.6050 63.51435 0.9826053      2.314762  2.474183       3.076418  -0.9637216     3.514231  185.3900 75.20174 151.1373 69.87334 34.25267       102.6527 
1 1 1 10 25 19 o 121.2154 55.79656 -0.7882692     2.206183  -0.9443659     2.846261  -0.5533369     3.491798  134.8822 62.54121 150.9159 69.72816 -16.03369      93.66653 
1 1 1 10 25 21 o 132.9848 59.18017 0.3502423      2.242774  -1.414772      2.954605  2.749947       3.445119  128.6507 60.92556 178.8497 76.52823 -50.19904      97.81868 
1 1 1 10 25 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 25 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 26 0  o 109.1276 65.65726 0.9649979      1.834300  0.9649979      1.834300  0.9649979      1.834300  109.1276 65.65726 109.1276 65.65726 0.000000       0.000000 
1 1 1 10 26 2  o 84.56259 40.05760 -1.421138      1.278911  -1.686592      1.824379  -1.164644      1.793328  103.8145 48.76686 108.9342 50.20203 -5.119713      69.98894 
1 1 1 10 26 4  o 109.7096 47.01605 0.5718810E-01  1.304000  0.7852108      1.960577  -0.5203598     1.746246  145.0421 59.57677 116.0357 51.88936 29.00642       79.00568 
1 1 1 10 26 6  o 80.80103 38.68493 -1.637543      1.259377  -2.617267      1.850308  -0.7919490     1.718989  94.99931 45.84179 110.7361 50.31590 -15.73682      68.06732 
1 1 1 10 26 8  o 101.5166 45.04860 -0.3042542     1.290305  1.412679       1.833409  -1.989190      1.816245  153.5894 59.37527 99.42494 47.28219 54.16446       75.90143 
1 1 1 10 26 10 o 91.37567 41.44553 -0.5379047     1.160005  -3.584654      1.600130  2.836907       1.684076  77.23767 38.32927 187.9535 57.74783 -110.7159      69.31049 
1 1 1 10 26 12 o 74.03976 35.50596 -1.400559      1.070532  -1.607277      1.539007  -1.206771      1.490099  92.13170 43.73040 95.02673 44.45705 -2.895027      62.36006 
1 1 1 10 26 14 o 135.4137 49.53206 1.269528       1.237778  -0.4768025E-01 1.366350  7.296975       2.922815  107.6813 47.12186 285.4734 72.28507 -177.7921      86.28790 
1 1 1 10 26 16 o 106.1670 50.00704 -1.514678      1.941397  -3.059933      2.773631  -0.3045506E-01 2.718305  116.3306 56.13288 143.5426 64.42297 -27.21206      85.44717 
1 1 1 10 26 18 o 156.0169 63.39893 1.664020       2.191029  2.660774       2.891460  0.3198875      3.357718  179.8302 72.92087 155.1269 70.42137 24.70334       101.3737 
1 1 1 10 26 20 o 129.8644 58.43761 0.1937321      2.253156  2.442336       2.984148  -2.788044      3.436381  169.7498 71.87759 126.4035 61.34780 43.34624       94.49836 
1 1 1 10 26 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 26 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 27 1  o 112.7743 47.34659 0.2819552      1.277177  -0.5491888     1.783005  1.157803       1.830327  115.9248 52.08974 147.8526 58.67591 -31.92784      78.46147 
1 1 1 10 27 3  o 161.3937 54.42664 1.953577       1.473170  2.043072       2.120608  1.870102       2.048041  172.0720 64.48192 167.1847 63.21316 4.887329       90.29852 
1 1 1 10 27 5  o 191.8744 53.73605 2.947364       1.516878  4.281923       2.302960  1.924717       2.015954  226.0243 67.12404 167.3422 62.83694 58.68210       91.94628 
1 1 1 10 27 7  f 139.4271 51.88245 1.277894       1.368036  1.867586       2.017890  0.7763290      1.861009  165.2015 62.68145 139.5112 57.74766 25.69028       85.22767 
1 1 1 10 27 9  f 96.38464 43.23227 -0.3806783     1.222133  0.3418920      1.773664  -1.033862      1.686355  128.4489 54.93509 104.5609 48.36230 23.88803       73.19000 
1 1 1 10 27 11 o 70.58878 34.23972 -1.655631      1.066488  -3.258525      1.527897  -0.1326437     1.489326  76.22591 37.76179 110.5323 48.75408 -34.30640      61.66776 
1 1 1 10 27 13 o 153.9602 49.18515 1.885844       1.209692  -0.9825304     2.787075  2.551638       1.342767  134.9902 62.34360 176.3190 50.95437 -41.32875      80.51752 
1 1 1 10 27 15 o 96.96664 46.60703 -2.128812      1.868610  -2.734613      2.561320  -1.439495      2.732175  112.2609 54.11231 127.5111 59.82884 -15.25024      80.66990 
1 1 1 10 27 17 o 129.5024 57.75692 0.1819883      2.148313  2.173618       2.899465  -2.242250      3.198904  169.1322 71.19272 127.9182 61.35220 41.21406       93.98136 
1 1 1 10 27 19 o 134.6000 58.91492 0.7828008      2.136901  -0.6944919     2.815575  2.789819       3.281781  129.5633 60.77370 173.1803 74.40787 -43.61702      96.07275 
1 1 1 10 27 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 27 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 28 0  f 112.9080 69.17262 1.037516       2.116152  1.037516       2.116152  1.037516       2.116152  112.9080 69.17262 112.9080 69.17262 0.000000       0.000000 
1 1 1 10 28 2  o 181.9641 55.12605 2.681881       1.541752  0.2721806E-01  2.198648  5.250048       2.162533  135.0572 59.41709 250.1064 61.52679 -115.0491      85.53325 
1 1 1 10 28 4  f 149.6527 58.69526 1.373877       1.812269  4.492000       3.953038  0.5441287      2.039189  225.3618 87.16777 138.7447 59.10825 86.61713       105.3186 
1 1 1 10 28 6  o 92.39317 43.81767 -1.551862      1.538834  -3.251193      2.781602  -0.8024090     1.847260  116.5992 56.25033 112.6614 51.56097 3.937828       76.30618 
1 1 1 10 28 8  o 93.43501 42.68384 -0.6138487     1.258376  -1.521868      1.808914  0.2376292      1.751689  102.3074 48.21419 124.9030 54.01776 -22.59557      72.40529 
1 1 1 10 28 10 f 88.39196 40.19703 -0.4877734     1.099980  -3.141461      1.606608  1.853799       1.509173  79.71541 39.34948 154.9331 54.94432 -75.21767      67.58151 
1 1 1 10 28 12 o 96.09076 43.16363 -0.3218984     1.223193  -1.131735      2.663977  -0.1055494     1.376922  129.0996 60.07973 105.6874 46.73588 23.41214       76.11713 
1 1 1 10 28 14 o 121.6826 54.86069 -0.1944309     1.996622  0.7715378      2.839174  -1.139557      2.808377  151.3111 67.00113 130.1734 60.94287 21.13774       90.57144 
1 1 1 10 28 16 o 107.7589 50.22223 -0.8554426     1.872400  -0.5518394     2.682800  -1.143777      2.614469  129.9249 60.40547 122.8922 57.93008 7.032776       83.69418 
1 1 1 10 28 18 f 95.86633 46.77647 -2.558382      2.072382  -4.470175      2.741902  -0.1105396E-01 3.165002  100.5441 49.94263 139.5415 65.12138 -38.99739      82.06741 
1 1 1 10 28 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 28 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 29 1  o 148.0304 55.03747 1.565205       1.538861  0.2236836      2.179650  2.898456       2.172922  135.5912 59.42100 186.3452 65.94370 -50.75400      88.76613 
1 1 1 10 29 3  f 99.36408 46.65467 -1.315314      1.666418  -4.481826      2.737888  0.5480247      2.100250  106.2753 52.24784 138.4883 59.51398 -32.21301      79.19439 
1 1 1 10 29 5  o 128.5616 53.28723 0.7106873      1.587586  2.214534       2.746361  -0.4404907E-01 1.945600  176.0630 71.18549 124.9852 55.39789 51.07780       90.20145 
1 1 1 10 29 7  o 180.7181 54.41516 2.744854       1.505512  2.596508       2.651706  2.815417       1.828854  180.5609 70.94485 181.7858 60.63434 -1.224899      93.32574 
1 1 1 10 29 9  o 106.8969 47.23786 -0.7745272E-01 1.404307  0.6503864      2.730444  -0.3392239     1.637482  150.1349 66.12608 110.3220 49.71558 39.81286       82.73026 
1 1 1 10 29 11 o 101.0795 48.18236 -1.742626      1.908804  -4.979155      2.602551  2.025231       2.808062  97.75534 48.57420 168.0575 70.35711 -70.30220      85.49606 
1 1 1 10 29 13 o 115.0545 52.77549 -0.4683129     1.950046  -2.306172      2.653656  1.689244       2.875211  114.6328 55.21107 159.8521 69.16918 -45.21937      88.50219 
1 1 1 10 29 15 o 131.9172 57.02288 0.8750337      1.950081  0.9153422      2.720619  0.8324417      2.796614  143.7413 64.48615 143.7306 64.85284 0.1075745E-01  91.45685 
1 1 1 10 29 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 29 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 29 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 30 0  o 167.0841 80.74828 3.394387       2.221868  3.394387       2.221868  3.394387       2.221868  167.0841 80.74828 167.0841 80.74828 0.000000       0.000000 
1 1 1 10 30 2  o 151.7909 57.60754 1.719468       1.704683  3.141962       2.672861  0.7441381      2.213233  188.6794 72.00912 141.6147 60.97842 47.06477       94.35931 
1 1 1 10 30 4  o 105.2070 49.12355 -1.104291      1.804756  -3.541585      3.641367  -0.3106198     2.077929  130.2973 63.21735 123.0326 55.67076 7.264709       84.23579 
1 1 1 10 30 6  o 116.0725 49.86073 0.3384537      1.473050  -1.368271      2.544693  1.198587       1.806495  122.3456 57.51051 140.8000 57.43559 -18.45441      81.27918 
1 1 1 10 30 8  o 85.46645 40.88287 -1.505416      1.399901  -1.221561      2.788693  -1.601044      1.618621  128.0284 60.18896 92.49758 44.16823 35.53083       74.65617 
1 1 1 10 30 10 o 143.0877 61.83295 1.057875       2.291589  7.295321       3.772131  -2.590674      2.884984  243.7704 86.82274 117.3766 56.78656 126.3938       103.7444 
1 1 1 10 30 12 o 141.7406 59.08574 1.422166       1.967829  -0.4997154     2.635261  3.844559       2.958575  127.1976 59.38102 186.8300 74.45094 -59.63244      95.23155 
1 1 1 10 30 14 o 119.8027 54.19785 0.1569001      1.968197  -1.072214      2.713605  1.521238       2.858982  121.3481 57.73241 149.5725 66.67349 -28.22435      88.19516 
1 1 1 10 30 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 30 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 30 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 31 1  o 100.0767 46.56116 -0.8600082     1.598388  -0.2567219     2.395337  -1.344268      2.146072  128.7268 58.83800 110.9241 52.34835 17.80272       78.75443 
1 1 1 10 31 3  o 122.3142 53.78963 0.2953242      1.800256  0.4862821      3.622812  0.2327089      2.074518  155.5858 71.57501 127.6672 56.85897 27.91862       91.41075 
1 1 1 10 31 5  o 158.2793 56.44881 2.176316       1.595031  3.163744       2.627051  1.599777       2.007383  180.7614 70.73582 148.2068 60.51165 32.55453       93.08714 
1 1 1 10 31 7  o 104.3582 49.15182 -1.094265      1.875008  -3.199731      2.572803  1.290689       2.738246  104.9557 51.40413 150.0389 66.14671 -45.08318      83.77214 
1 1 1 10 31 9  o 154.2775 61.39467 2.116433       2.009189  0.2366168      2.722964  4.363087       2.976819  134.9988 62.08540 193.1972 75.38603 -58.19836      97.66090 
1 1 1 10 31 11 o 134.3545 57.60376 1.171337       1.959076  0.2131304      2.604809  2.419222       2.972579  130.9625 60.40743 160.3215 69.84262 -29.35902      92.34202 
1 1 1 10 31 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 31 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 31 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 32 0  o 59.44194 43.57977 -5.438222      2.386265  -5.438222      2.386265  -5.438222      2.386265  59.44194 43.57977 59.44194 43.57977 0.000000       0.000000 
1 1 1 10 32 2  o 153.1730 55.97530 2.128677       1.580190  4.081670       2.522985  0.8680643      2.027007  191.8951 70.62975 131.8509 57.55285 60.04417       91.10924 
1 1 1 10 32 4  o 159.6297 56.43395 2.398905       1.591076  1.640667       2.603415  2.850950       2.010165  148.9942 65.12629 168.6257 62.86292 -19.63142      90.51618 
1 1 1 10 32 6  o 102.1288 48.30093 -1.009781      1.845289  -0.2862032E-01 2.454268  -2.285755      2.798808  125.6614 58.19945 112.8937 54.92242 12.76770       80.02280 
1 1 1 10 32 8  o 140.4191 58.52929 1.611386       1.930671  -0.2732578     2.572673  4.041210       2.921174  124.1490 58.18898 181.3184 73.37798 -57.16938      93.64980 
1 1 1 10 32 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 32 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 32 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 32 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 33 1  o 172.8326 56.11605 2.982557       1.570381  2.656415       2.446930  3.210962       2.047720  158.6746 65.99509 171.6786 63.55210 -13.00401      91.61999 
1 1 1 10 33 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 33 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 33 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 33 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 33 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 33 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 34 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 35 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 35 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 35 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10 35 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 0  1  o 719.7697 17.25852 36.75443       1.755709  36.75443       1.755709  36.75443       1.755709  719.7697 17.25852 719.7697 17.25852 0.000000       0.000000 
1 1 1 11 0  3  f 236.6795 33.91458 4.213475       1.068435  4.213475       1.068435  4.213475       1.068435  236.6795 33.91458 236.6795 33.91458 0.000000       0.000000 
1 1 1 11 0  5  o 71.04235 45.42087 0.6662647E-01  1.021253  0.6662647E-01  1.021253  0.6662647E-01  1.021253  71.04235 45.42087 71.04235 45.42087 0.000000       0.000000 
1 1 1 11 0  7  o 667.9241 24.83532 31.77211       2.340183  31.77211       2.340183  31.77211       2.340183  667.9241 24.83532 667.9241 24.83532 0.000000       0.000000 
1 1 1 11 0  9  o 857.2396 19.90758 52.16769       2.412189  52.16769       2.412189  52.16769       2.412189  857.2396 19.90758 857.2396 19.90758 0.000000       0.000000 
1 1 1 11 0  11 o 178.1104 51.71235 2.761944       1.131119  2.761944       1.131119  2.761944       1.131119  178.1104 51.71235 178.1104 51.71235 0.000000       0.000000 
1 1 1 11 0  13 o 633.7878 42.86555 28.98571       3.803778  28.98571       3.803778  28.98571       3.803778  633.7878 42.86555 633.7878 42.86555 0.000000       0.000000 
1 1 1 11 0  15 o 2840.463 31.45039 572.5906       12.63907  572.5906       12.63907  572.5906       12.63907  2840.463 31.45039 2840.463 31.45039 0.000000       0.000000 
1 1 1 11 0  17 f 85.37934 55.07896 -0.9802636E-02 1.545098  -0.9802636E-02 1.545098  -0.9802636E-02 1.545098  85.37934 55.07896 85.37934 55.07896 0.000000       0.000000 
1 1 1 11 0  19 o 1211.347 29.69424 104.2908       5.083591  104.2908       5.083591  104.2908       5.083591  1211.347 29.69424 1211.347 29.69424 0.000000       0.000000 
1 1 1 11 0  21 o 1009.113 31.47234 72.54610       4.484670  72.54610       4.484670  72.54610       4.484670  1009.113 31.47234 1009.113 31.47234 0.000000       0.000000 
1 1 1 11 0  23 o 1135.196 32.45505 91.86023       5.204382  91.86023       5.204382  91.86023       5.204382  1135.196 32.45505 1135.196 32.45505 0.000000       0.000000 
1 1 1 11 0  25 o 862.2145 37.86147 53.36747       4.599574  53.36747       4.599574  53.36747       4.599574  862.2145 37.86147 862.2145 37.86147 0.000000       0.000000 
1 1 1 11 0  27 o 119.8515 77.95782 0.4300377E-01  3.183122  0.4300377E-01  3.183122  0.4300377E-01  3.183122  119.8515 77.95782 119.8515 77.95782 0.000000       0.000000 
1 1 1 11 0  29 o 741.8229 44.28660 40.30741       4.611043  40.30741       4.611043  40.30741       4.611043  741.8229 44.28660 741.8229 44.28660 0.000000       0.000000 
1 1 1 11 0  31 o 476.4756 62.30973 17.82820       4.002840  17.82820       4.002840  17.82820       4.002840  476.4756 62.30973 476.4756 62.30973 0.000000       0.000000 
1 1 1 11 0  33 o 110.0662 74.01476 -0.4832334     3.281390  -0.4832334     3.281390  -0.4832334     3.281390  110.0662 74.01476 110.0662 74.01476 0.000000       0.000000 
1 1 1 11 0  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 1  0  o 909.7249 16.72493 58.66951       2.151608  58.66951       2.151608  58.66951       2.151608  909.7249 16.72493 909.7249 16.72493 0.000000       0.000000 
1 1 1 11 1  2  o 746.3498 12.07817 39.45166       1.275743  39.56057       1.793660  39.34015       1.814875  747.0526 16.96559 744.9490 17.21474 2.103638       24.16978 
1 1 1 11 1  4  f 142.0465 35.75228 1.495739       0.7180726 2.662785       1.037535  0.4227946      0.9948266 189.5002 39.94863 108.0430 43.13305 81.45719       58.79075 
1 1 1 11 1  6  o 390.3784 18.41364 10.83380       1.014424  11.80710       1.451619  9.904818       1.418190  406.7653 25.34264 372.1779 27.11144 34.58737       37.11171 
1 1 1 11 1  8  f 1196.096 16.84671 101.4658       2.851682  105.8557       4.148430  97.53310       3.926490  1220.251 24.02232 1171.375 23.68584 48.87573       33.73561 
1 1 1 11 1  10 o 565.7313 13.76578 22.68300       1.102125  25.40794       1.582572  20.11688       1.535761  598.0552 18.72137 531.8735 20.44112 66.18170       27.71875 
1 1 1 11 1  12 o 1058.419 15.92867 79.42380       2.385926  79.33801       3.737050  79.48283       3.099966  1056.345 24.99789 1058.103 20.70185 -1.757935      32.45707 
1 1 1 11 1  14 o 608.0424 18.90464 26.24106       1.624778  24.74700       2.538650  27.27768       2.114603  588.9929 30.56053 619.3571 24.17144 -30.36420      38.96415 
1 1 1 11 1  16 o 735.8131 16.66256 38.36242       1.735118  40.10763       2.506700  36.75707       2.404164  751.4917 23.59919 719.3801 23.64702 32.11157       33.40813 
1 1 1 11 1  18 o 556.5374 19.23140 21.98488       1.512418  23.73916       2.167452  20.32013       2.111413  577.5513 26.58924 534.0695 28.03362 43.48187       38.63769 
1 1 1 11 1  20 o 1018.460 19.09807 73.58443       2.752663  72.99029       3.487005  74.56696       4.484104  1013.538 24.31042 1022.643 31.01945 -9.104614      39.41070 
1 1 1 11 1  22 o 564.4960 27.81545 22.75228       2.215273  26.41178       3.199632  19.38304       3.070119  606.1757 37.48100 517.7693 42.26598 88.40643       56.49105 
1 1 1 11 1  24 o 556.5568 32.08535 22.22924       2.516467  19.69727       3.442296  25.13565       3.688044  519.4522 47.34536 588.2223 44.63639 -68.77008      65.06911 
1 1 1 11 1  26 o 565.2509 34.84436 23.09853       2.773814  31.79192       3.985586  14.93242       3.862826  660.0452 42.90008 442.6632 63.47508 217.3820       76.61268 
1 1 1 11 1  28 o 187.8430 68.98712 2.424027       2.404850  5.677703       3.444427  -0.6704781     3.359119  261.4874 82.93407 160.4242 71.83669 101.0632       109.7204 
1 1 1 11 1  30 o 1194.611 26.99519 103.1327       4.563866  104.0533       6.493577  102.2341       6.415689  1186.367 38.72821 1176.110 38.59794 10.25708       54.67793 
1 1 1 11 1  32 o 201.0723 69.52746 3.415052       2.406973  3.915930       3.384979  2.902771       3.423294  213.6458 81.15533 197.6273 79.62806 16.01843       113.6962 
1 1 1 11 1  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 1  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 2  1  o 456.8313 14.51899 14.80146       0.9374759 15.16107       1.339842  14.45654       1.312173  461.8247 20.55161 450.9385 20.61600 10.88620       29.10993 
1 1 1 11 2  3  f 528.2974 13.53507 19.78563       1.011116  18.97318       1.413111  20.63795       1.447373  516.8241 19.35448 539.0878 19.00118 -22.26373      27.12271 
1 1 1 11 2  5  o 612.8730 12.88673 26.60955       1.117720  27.21683       1.573382  25.99085       1.588111  619.2269 17.97316 605.0438 18.56901 14.18311       25.84265 
1 1 1 11 2  7  o 860.4775 16.69670 52.50583       2.033247  53.33580       2.920114  51.72477       2.832765  865.9559 23.85053 852.8328 23.49313 13.12311       33.47797 
1 1 1 11 2  9  o 616.0895 22.12564 27.00176       1.925988  30.37774       3.481707  25.51321       2.311928  650.2551 38.00015 597.9886 27.39154 52.26648       46.84344 
1 1 1 11 2  11 o 937.2803 14.71935 62.27345       1.952441  65.29497       2.842849  59.57584       2.686148  958.8741 20.94944 915.9540 20.72223 42.92010       29.46675 
1 1 1 11 2  13 o 524.0792 15.94343 19.48577       1.181117  18.67890       1.815261  20.07815       1.555393  512.1008 25.12416 531.5215 20.71724 -19.42065      32.56421 
1 1 1 11 2  15 o 1189.245 17.22485 100.2297       2.898990  99.25989       4.616166  100.8613       3.725218  1182.064 27.59438 1192.401 22.07545 -10.33691      35.33801 
1 1 1 11 2  17 o 1490.413 18.19819 157.4329       3.838439  159.9349       5.029957  153.9443       5.939449  1501.382 23.67300 1472.102 28.50942 29.27930       37.05668 
1 1 1 11 2  19 o 661.5248 18.42129 31.05371       1.722911  28.07928       2.397080  34.23252       2.478066  627.9673 27.03612 693.7387 25.28274 -65.77136      37.01579 
1 1 1 11 2  21 f 221.1468 56.59507 3.682289       1.778425  3.996218       2.468548  3.343526       2.564331  231.6348 69.66329 216.9754 71.78114 14.65944       100.0275 
1 1 1 11 2  23 o 1294.467 23.02618 119.1690       4.218254  127.9483       6.274638  111.9293       5.697990  1337.698 33.14445 1251.121 32.20800 86.57703       46.21590 
1 1 1 11 2  25 o 1125.822 25.10322 90.39499       3.999622  88.78713       5.560816  92.11825       5.756921  1110.928 35.41505 1131.286 36.00407 -20.35742      50.50266 
1 1 1 11 2  27 o 207.1579 70.57623 3.192610       2.477576  1.598629       3.469536  4.851190       3.539142  192.9657 79.25693 248.3699 84.35593 -55.40419      115.7479 
1 1 1 11 2  29 o 691.4475 32.70463 34.83137       3.191212  31.70481       4.401545  38.29613       4.633494  648.7322 48.28875 715.2108 46.02205 -66.47864      66.70706 
1 1 1 11 2  31 o 708.4722 32.38714 36.86422       3.238657  38.95994       4.622303  34.84323       4.539135  715.4274 45.89547 674.3736 47.87242 41.05383       66.31865 
1 1 1 11 2  33 f 449.6254 64.90892 17.38658       4.010808  13.83980       5.728089  20.79809       5.617798  341.4509 106.7692 457.5675 89.96242 -116.1166      139.6170 
1 1 1 11 2  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 3  0  f 1795.550 19.50085 228.4891       4.953995  228.4891       4.953995  228.4891       4.953995  1795.550 19.50085 1795.550 19.50085 0.000000       0.000000 
1 1 1 11 3  2  f 66.15356 30.81682 -0.6557503     0.7036448 -1.275980      1.007218  -0.6448714E-01 0.9834167 74.01926 35.20324 94.83864 40.73959 -20.81937      53.84220 
1 1 1 11 3  4  f 781.4365 12.76479 43.25826       1.411651  43.48723       1.881830  42.96360       2.134758  783.1611 16.97889 778.1957 19.38385 4.965393       25.76852 
1 1 1 11 3  6  o 466.4338 16.70022 15.44669       1.100603  15.93592       1.573619  14.97820       1.539904  472.9909 23.58299 458.4914 23.81408 14.49954       33.51518 
1 1 1 11 3  8  o 125.1442 51.09673 0.4427463      1.431372  2.260722       2.001835  -1.459057      2.047468  183.5498 63.40958 117.0505 53.83303 66.49934       83.17915 
1 1 1 11 3  10 o 479.7882 17.55337 16.35278       1.189863  17.44111       1.684110  15.26802       1.681335  494.6768 24.12911 462.5102 25.78911 32.16663       35.31702 
1 1 1 11 3  12 o 756.4592 13.21132 40.54379       1.414333  38.28338       1.953142  43.03580       2.050765  734.3422 18.80932 778.8641 18.60520 -44.52191      26.45646 
1 1 1 11 3  14 o 752.6701 15.89586 40.14390       1.693201  39.82151       2.401026  40.46284       2.388123  748.7475 22.68521 754.7961 22.38139 -6.048645      31.86763 
1 1 1 11 3  16 f 1270.961 19.64561 114.5138       3.533601  105.4245       6.876620  117.7749       4.119012  1215.298 40.03737 1288.548 22.58773 -73.24988      45.96952 
1 1 1 11 3  18 o 120.7696 46.55807 0.6870660      1.125025  0.5893948E-01  1.641799  1.243084       1.544688  125.3848 53.21259 148.7931 55.17542 -23.40833      76.65446 
1 1 1 11 3  20 o 823.0428 19.88332 48.07064       2.315960  46.71397       2.948848  50.25452       3.741351  810.1576 25.75225 839.1279 31.56133 -28.97028      40.73445 
1 1 1 11 3  22 o 448.4315 32.85658 14.43908       2.070681  14.35876       2.937354  14.51842       2.919498  443.6988 47.51789 446.3491 46.91901 -2.650360      66.77832 
1 1 1 11 3  24 o 1004.217 24.56256 71.82859       3.490767  73.55658       4.925236  70.08444       4.948224  1012.473 34.42356 987.8448 35.45240 24.62854       49.41512 
1 1 1 11 3  26 o 266.1485 65.24249 5.537287       2.438067  9.676935       3.431205  1.315842       3.464939  350.9572 71.51329 190.8957 78.88608 160.0615       106.4761 
1 1 1 11 3  28 o 628.3978 34.03522 28.76068       3.015499  32.47503       4.319238  25.22865       4.211906  659.8635 46.55104 577.5067 52.09444 82.35687       69.86294 
1 1 1 11 3  30 o 961.8345 29.59175 67.23855       4.023221  77.17489       6.207877  60.04291       5.282803  1015.427 43.29847 897.2319 41.71867 118.1955       60.12657 
1 1 1 11 3  32 o 168.9718 67.09953 1.898358       2.395019  1.443199       3.551130  2.278149       3.243827  178.4555 77.04391 185.7826 76.50571 -7.327133      108.5767 
1 1 1 11 3  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 3  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 4  1  f 1120.855 11.77157 88.98051       1.867254  91.30988       2.682752  86.79169       2.600559  1134.893 16.70343 1106.470 16.60761 28.42261       23.55456 
1 1 1 11 4  3  f 1096.234 12.80535 85.13232       1.986618  84.44136       3.039679  85.64752       2.624770  1090.923 19.68856 1099.081 16.87492 -8.158691      25.93072 
1 1 1 11 4  5  o 768.0812 15.72075 41.82185       1.708835  41.70131       2.212265  42.00017       2.690691  766.2205 20.41977 768.2758 24.77966 -2.055298      32.10917 
1 1 1 11 4  7  o 256.6307 42.62279 4.850005       1.493717  4.233008       2.117148  5.461538       2.107753  236.5777 62.36285 269.4311 57.05668 -32.85335      84.52567 
1 1 1 11 4  9  o 609.6432 19.17489 26.40680       1.652297  26.08849       2.247716  26.78103       2.437167  604.8633 26.32118 612.5108 28.19148 -7.647461      38.56895 
1 1 1 11 4  11 o 198.3411 30.17342 2.866242       0.8202862 1.212314       1.111901  4.841336       1.215072  136.3524 47.25027 258.2095 34.08290 -121.8571      58.26003 
1 1 1 11 4  13 o 387.0837 19.78558 10.65584       1.080265  8.699229       1.600698  12.29230       1.463901  347.9296 32.89933 415.2353 25.02756 -67.30569      41.33697 
1 1 1 11 4  15 o 732.5458 16.61991 38.02435       1.722992  38.81028       2.474778  37.28501       2.400288  739.1736 23.68815 724.5170 23.44050 14.65656       33.32545 
1 1 1 11 4  17 o 93.30826 42.58314 -0.8165817     1.248374  -2.657082      2.153465  0.1149962      1.532073  108.6157 51.60476 122.4457 51.65737 -13.82996      73.01736 
1 1 1 11 4  19 o 783.2059 17.72908 43.49272       1.965088  42.67582       2.742452  44.35474       2.817162  774.6400 25.04901 789.7161 25.23941 -15.07611      35.55954 
1 1 1 11 4  21 o 647.9405 24.31396 29.89392       2.225561  29.06612       2.554631  32.50051       4.533161  638.1727 28.35672 669.6892 48.15229 -31.51648      55.88154 
1 1 1 11 4  23 o 790.8016 25.12598 44.57247       2.808399  43.11614       3.967763  46.03456       3.975600  774.7300 36.28976 800.9370 35.15961 -26.20703      50.52866 
1 1 1 11 4  25 o 1102.690 25.46751 86.77914       3.974291  85.66536       5.484373  88.01081       5.767284  1090.625 35.58062 1104.718 36.94123 -14.09375      51.28971 
1 1 1 11 4  27 o 854.6461 28.05839 52.54624       3.389064  54.55255       4.872457  50.66587       4.717043  863.6044 39.97543 832.0737 40.17664 31.53064       56.67625 
1 1 1 11 4  29 o 164.6649 67.24432 1.240903       2.479509  -1.789691      3.493804  4.316149       3.519448  150.6807 69.66499 231.9620 83.71428 -81.28125      108.9096 
1 1 1 11 4  31 o 465.6355 44.12168 16.52656       2.872801  15.97741       3.929311  17.15720       4.210787  440.3789 64.99921 454.0521 67.58677 -13.67322      93.77030 
1 1 1 11 4  33 o 227.6876 84.52804 5.129667       3.627280  5.287039       5.226724  4.983456       5.037978  228.1727 95.78689 224.6447 94.15638 3.528000       134.3151 
1 1 1 11 4  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 5  0  o 653.4844 19.98165 30.34473       1.844020  30.34473       1.844020  30.34473       1.844020  653.4844 19.98165 653.4844 19.98165 0.000000       0.000000 
1 1 1 11 5  2  o 304.9221 21.50309 6.633389       0.9219672 7.606565       1.369839  5.827471       1.246577  325.4539 30.08160 284.2623 31.51595 41.19156       43.56785 
1 1 1 11 5  4  o 1485.579 17.95255 156.5425       3.774346  157.1044       5.354198  155.9875       5.321415  1486.429 25.45251 1481.154 25.38674 5.274170       35.94881 
1 1 1 11 5  6  o 737.5822 17.56441 38.59211       1.833428  36.92141       2.571141  40.32048       2.615136  720.0411 25.27101 752.6202 24.58565 -32.57904      35.25731 
1 1 1 11 5  8  o 1074.372 17.11904 81.87984       2.602878  81.15077       3.649328  82.63481       3.713562  1068.270 24.13860 1077.949 24.34293 -9.678711      34.28192 
1 1 1 11 5  10 o 498.6028 15.06862 17.64059       1.062060  18.52975       1.551097  16.85578       1.457252  510.2970 21.52647 486.7002 21.20788 23.59680       30.21858 
1 1 1 11 5  12 o 580.1744 14.38367 23.85190       1.180995  21.31807       1.646909  26.53417       1.694463  547.6212 21.29109 611.2432 19.61376 -63.62201      28.94841 
1 1 1 11 5  14 o 677.8130 16.46814 32.55658       1.579699  31.75354       2.170098  33.46176       2.303972  668.5532 22.97043 686.2269 23.75993 -17.67377      33.04807 
1 1 1 11 5  16 o 1586.624 16.67887 178.3690       3.745073  176.7735       5.243158  180.0311       5.351159  1578.475 23.47120 1592.905 23.73767 -14.42944      33.38225 
1 1 1 11 5  18 o 1482.412 18.93243 155.8224       3.971871  157.7827       6.432743  154.6146       5.049331  1489.239 30.52192 1475.691 24.17791 13.54883       38.93789 
1 1 1 11 5  20 o 783.7018 22.35837 43.66349       2.477232  45.98866       3.451342  41.19273       3.557750  802.7380 30.43559 759.0434 33.20021 43.69464       45.03975 
1 1 1 11 5  22 o 1204.108 22.61163 103.0765       3.853160  105.6616       5.503950  100.5918       5.396036  1215.847 32.01502 1186.241 32.17239 29.60657       45.38749 
1 1 1 11 5  24 o 650.0959 29.56829 30.26978       2.713219  26.85983       3.725722  34.12019       3.959041  607.9622 43.59194 686.5898 40.93065 -78.62756      59.79611 
1 1 1 11 5  26 o 671.3254 31.75059 32.49892       3.007961  33.56398       4.315932  31.49296       4.194467  675.7476 45.39386 654.3836 45.57719 21.36401       64.32637 
1 1 1 11 5  28 f 440.6209 43.71688 14.49086       2.690142  17.22449       4.000438  12.23425       3.634681  469.3766 61.71744 390.5056 68.25198 78.87103       92.01835 
1 1 1 11 5  30 o 343.4420 53.34276 9.244221       2.508591  7.437337       3.644778  10.87062       3.457956  287.8132 84.17496 361.0351 70.20714 -73.22186      109.6105 
1 1 1 11 5  32 o 222.8008 82.67343 4.612633       3.469071  4.258315       4.969019  4.949531       4.845333  221.0974 93.14030 228.8086 93.78520 -7.711227      132.1771 
1 1 1 11 5  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 5  36 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 6  1  o 1199.572 16.62952 102.0327       2.823097  103.6052       4.032753  100.5216       3.953356  1207.518 23.59871 1189.436 23.48578 18.08203       33.29386 
1 1 1 11 6  3  o 555.8384 18.40367 21.94291       1.445685  23.53761       2.088161  20.47492       2.003481  574.7111 25.73938 535.8209 26.50304 38.89014       36.94492 
1 1 1 11 6  5  o 828.6725 16.67660 48.70232       1.955737  50.05186       2.782125  47.38394       2.749816  838.8142 23.45945 816.0645 23.83554 22.74976       33.44366 
1 1 1 11 6  7  o 188.3360 47.95174 2.656070       1.281252  2.201040       2.086972  2.931318       1.623150  183.4277 64.65187 198.1084 55.62410 -14.68079      85.28719 
1 1 1 11 6  9  o 1504.801 15.12266 160.5438       3.220528  158.7224       4.517210  162.4266       4.592759  1494.797 21.35346 1512.109 21.46202 -17.31238      30.27521 
1 1 1 11 6  11 o 1173.527 12.86157 97.56747       2.136028  98.96016       3.073710  96.26670       2.970530  1181.123 18.38857 1164.996 18.01730 16.12671       25.74418 
1 1 1 11 6  13 o 1096.420 13.90195 85.15773       2.157112  86.70190       3.331593  84.04312       2.830522  1105.494 21.29490 1088.773 18.37002 16.72156       28.12349 
1 1 1 11 6  15 f 1390.359 16.12554 136.9610       3.172935  135.6263       4.410463  138.3929       4.568103  1382.729 22.53861 1396.672 23.11116 -13.94263      32.28180 
1 1 1 11 6  17 o 598.1426 18.65537 25.38792       1.577237  24.20537       2.191089  26.65968       2.272223  583.1667 26.61916 612.1183 26.29115 -28.95160      37.41396 
1 1 1 11 6  19 o 473.0648 28.71784 15.98625       1.913558  15.20738       2.746981  16.72051       2.667144  458.6823 42.81240 481.8752 39.45555 -23.19290      58.22063 
1 1 1 11 6  21 o 195.2228 53.67678 2.851841       1.528905  2.049303       1.932680  4.194024       2.499383  176.9399 62.22856 236.2260 69.87109 -59.28613      93.56475 
1 1 1 11 6  23 o 257.0745 57.27791 5.017168       2.030491  5.577921       2.897920  4.476373       2.845882  268.6166 73.91601 243.3342 75.12421 25.28239       105.3908 
1 1 1 11 6  25 o 525.8863 40.93208 20.15532       3.022345  17.79634       3.788107  24.28714       5.013389  487.8533 55.87416 566.5714 63.62356 -78.71808      84.67513 
1 1 1 11 6  27 o 762.5403 29.54557 41.98102       3.182383  40.45942       4.420456  43.61815       4.585201  740.8594 42.33731 769.3600 42.27478 -28.50055      59.82980 
1 1 1 11 6  29 o 211.1626 68.86919 3.592572       2.363864  2.732071       3.436694  4.365245       3.256590  203.3368 80.49531 230.4262 80.79819 -27.08937      114.0519 
1 1 1 11 6  31 o 394.2251 47.31222 12.07579       2.586920  18.11783       3.936924  7.484751       3.431790  471.4646 60.38976 284.5813 81.21614 186.8832       101.2076 
1 1 1 11 6  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 6  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 7  0  o 95.46931 57.18610 0.6824981      1.379392  0.6824981      1.379392  0.6824981      1.379392  95.46931 57.18610 95.46931 57.18610 0.000000       0.000000 
1 1 1 11 7  2  o 839.5938 16.56081 49.99121       1.967752  50.54105       2.809036  49.46144       2.757329  842.9140 23.57116 833.8896 23.38779 9.024353       33.20525 
1 1 1 11 7  4  o 602.4373 18.24290 25.77666       1.553548  21.86381       2.099293  30.51387       2.309870  553.5367 26.87863 654.4875 24.98414 -100.9509      36.69698 
1 1 1 11 7  6  o 486.4841 16.98184 16.80838       1.167365  16.10959       1.637505  17.53052       1.664636  475.3077 24.42570 495.9746 23.78524 -20.66690      34.09329 
1 1 1 11 7  8  o 556.6091 15.75790 21.98701       1.240027  23.82555       1.792321  20.29895       1.717404  578.6550 21.92616 533.9271 22.78085 44.72784       31.61841 
1 1 1 11 7  10 o 1229.703 12.84764 107.1376       2.235854  109.0005       3.227453  105.4186       3.100327  1239.521 18.39866 1219.058 17.97063 20.46326       25.71876 
1 1 1 11 7  12 o 280.4266 24.20211 5.625415       0.9510985 5.726343       1.491024  5.556174       1.234979  280.6599 38.55714 277.5469 32.02829 3.112946       50.12449 
1 1 1 11 7  14 o 1127.121 14.12274 89.98504       2.252730  86.46660       3.359965  92.85818       3.036256  1104.130 21.50278 1144.533 18.74521 -40.40247      28.52634 
1 1 1 11 7  16 o 1044.650 15.97103 77.32027       2.361149  76.11137       3.275670  78.62766       3.406510  1035.809 22.34604 1052.730 22.86509 -16.92041      31.97121 
1 1 1 11 7  18 o 721.4564 17.91959 36.90775       1.829607  39.95522       2.640184  34.09212       2.537765  749.5112 24.92533 692.1190 25.95500 57.39221       35.98519 
1 1 1 11 7  20 o 887.1801 22.61565 55.96971       2.837177  54.48037       3.967583  57.52826       4.058716  873.0932 32.16538 897.2558 32.01468 -24.16260      45.38228 
1 1 1 11 7  22 o 570.2462 25.17877 23.19883       2.026957  22.07256       2.564670  25.07302       3.308398  554.6144 32.82213 589.3391 39.90258 -34.72461      51.66728 
1 1 1 11 7  24 o 1161.029 27.61900 96.32267       4.538067  98.78693       7.792387  95.05796       5.582410  1163.925 47.40622 1149.839 34.34410 14.08679       58.53945 
1 1 1 11 7  26 o 455.5039 39.00486 15.20539       2.490201  15.36166       3.500628  15.04530       3.543108  449.7960 56.21756 444.2908 57.71302 5.505188       80.56802 
1 1 1 11 7  28 o 240.8809 67.29365 4.742263       2.381999  4.601405       3.243366  4.907202       3.509682  236.8011 80.74859 243.3400 83.96513 -6.538925      116.4924 
1 1 1 11 7  30 o 151.6989 63.32458 0.8976083      2.264905  1.912260       3.172383  -0.1572611     3.234643  184.0302 75.70820 158.3219 70.72288 25.70830       103.6024 
1 1 1 11 7  32 o 167.7583 72.34008 1.324414       3.123520  1.197030       4.490676  1.443801       4.347453  183.3920 82.51425 184.1817 82.15163 -0.7896729     116.4366 
1 1 1 11 7  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 8  1  f 365.0982 23.00081 9.511903       1.182388  9.997913       1.696080  9.052385       1.649203  372.8363 32.46812 354.4847 33.26293 18.35162       46.48227 
1 1 1 11 8  3  o 157.9830 45.60053 1.837579       1.076020  2.868415       1.505061  0.7598019      1.538948  195.7228 53.02991 135.9998 53.85705 59.72301       75.58276 
1 1 1 11 8  5  o 785.0033 14.21860 43.68169       1.579604  42.17239       2.209905  45.25836       2.258687  770.3549 20.28809 798.1066 20.01328 -27.75171      28.49803 
1 1 1 11 8  7  o 458.1596 17.56867 14.91498       1.137025  15.51047       1.579023  14.27369       1.638625  466.4071 24.00307 447.0719 26.01130 19.33521       35.39400 
1 1 1 11 8  9  o 1314.288 12.93295 122.3894       2.405515  126.7264       3.511563  118.5547       3.301930  1336.437 18.56659 1292.727 18.04850 43.71008       25.89337 
1 1 1 11 8  11 o 431.3316 16.91552 13.20892       1.030561  10.89027       1.425091  15.75069       1.492082  390.6209 25.92578 470.5082 22.47309 -79.88727      34.31015 
1 1 1 11 8  13 o 445.0349 18.10808 14.06180       1.138095  14.76959       1.805292  13.59496       1.466138  455.0570 28.17063 437.0307 23.79494 18.02634       36.87524 
1 1 1 11 8  15 o 621.6276 19.48507 27.42225       1.712046  30.65517       2.233609  22.81756       2.665689  656.8048 24.07057 565.2936 33.47063 91.51117       41.22712 
1 1 1 11 8  17 o 595.6727 19.08468 25.18967       1.606762  24.85440       2.231813  25.55043       2.315084  590.7592 26.76437 598.9009 27.38691 -8.141785      38.29327 
1 1 1 11 8  19 o 623.7689 21.48070 27.66637       1.893405  26.08558       2.367692  30.47050       3.153460  604.6724 27.74240 652.2664 34.28230 -47.59399      44.10121 
1 1 1 11 8  21 o 603.0393 26.87062 25.95817       2.287447  27.46900       3.227606  24.43353       3.242322  617.9883 37.07507 582.0423 39.59822 35.94604       54.24555 
1 1 1 11 8  23 o 778.7933 22.73605 43.21415       2.503178  44.91555       3.202168  40.54091       4.013834  792.4160 28.60119 749.6941 37.95516 42.72186       47.52496 
1 1 1 11 8  25 o 578.0300 33.60311 24.16171       2.736989  26.93328       3.878918  21.41355       3.862508  605.0370 45.63757 536.2807 51.52623 68.75635       68.83124 
1 1 1 11 8  27 o 548.5570 36.54481 22.06483       2.820873  16.31347       3.992637  27.79710       3.986004  455.3315 63.70075 609.5485 46.55956 -154.2169      78.90233 
1 1 1 11 8  29 o 213.0372 73.50758 3.690008       2.689883  3.218559       3.280858  4.656734       4.698098  207.9233 79.67413 239.3106 94.30888 -31.38722      123.4590 
1 1 1 11 8  31 o 153.8221 69.55762 -0.2183985     3.237669  -2.735612      4.258739  3.228882       4.983784  151.8545 72.26839 211.6272 91.31772 -59.77269      116.4545 
1 1 1 11 8  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 8  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 9  0  o 237.2698 53.98246 4.588093       1.579900  4.588093       1.579900  4.588093       1.579900  237.2698 53.98246 237.2698 53.98246 0.000000       0.000000 
1 1 1 11 9  2  o 567.5811 15.54782 22.86097       1.247693  23.59672       1.775457  22.14309       1.753752  575.8544 21.82552 557.7452 22.26312 18.10913       31.17691 
1 1 1 11 9  4  o 632.8262 13.29053 28.38180       1.190273  28.25797       1.673032  28.50873       1.693759  630.6769 18.76553 633.4513 18.91496 -2.774414      26.64434 
1 1 1 11 9  6  o 622.3781 13.40276 27.45249       1.180506  25.65444       1.637431  29.39858       1.703504  600.8400 19.28178 643.3087 18.73124 -42.46869      26.88209 
1 1 1 11 9  8  o 641.7848 16.39058 29.22644       1.487469  29.09268       2.319055  29.31994       1.938836  639.0223 25.69578 642.1897 21.36303 -3.167358      33.41635 
1 1 1 11 9  10 o 85.54763 37.09427 -0.1208823     0.8303961 -0.3031460E-01 1.178896  -0.2100684     1.169870  104.7420 44.79132 100.5245 43.80345 4.217491       62.64986 
1 1 1 11 9  12 o 1179.945 13.96007 98.62185       2.331146  97.90752       3.553432  99.16155       3.088683  1174.830 21.37240 1182.702 18.45347 -7.872437      28.23668 
1 1 1 11 9  14 o 936.2135 14.32970 62.08502       1.898593  59.92905       2.831748  63.84562       2.558959  919.1962 21.76841 949.0203 19.05321 -29.82416      28.92902 
1 1 1 11 9  16 o 1243.874 16.30779 109.6520       2.870724  112.1232       4.054410  107.1677       4.065246  1256.883 22.79360 1228.698 23.37878 28.18567       32.65143 
1 1 1 11 9  18 o 378.4146 26.33479 10.23503       1.401519  9.219804       1.915081  11.40581       2.056569  356.9418 38.52076 397.7475 36.95840 -40.80569      53.38326 
1 1 1 11 9  20 o 717.5825 20.97363 36.61369       2.127644  37.23074       2.668309  35.53646       3.525603  722.6459 26.13404 703.7536 35.51395 18.89227       44.09341 
1 1 1 11 9  22 o 709.8015 26.80868 35.98437       2.688133  32.61241       3.699618  39.75556       3.912498  672.1454 39.06152 742.9420 37.33131 -70.79651      54.03174 
1 1 1 11 9  24 o 1072.266 25.40319 82.14018       3.854879  86.12096       5.687247  78.75696       5.243048  1091.619 36.86677 1044.641 35.51640 46.97742       51.19154 
1 1 1 11 9  26 o 268.7501 63.67442 5.759505       2.384389  2.675970       3.343945  8.948871       3.400845  205.4973 79.98100 330.7440 74.45689 -125.2467      109.2739 
1 1 1 11 9  28 f 221.2558 72.48287 4.011449       2.617078  4.242943       4.041601  3.844296       3.434324  231.9197 88.53873 221.5080 82.24619 10.41170       120.8451 
1 1 1 11 9  30 o 194.7401 66.63454 3.110992       2.209015  1.169136       2.984681  5.463131       3.284890  168.2440 71.58725 244.5398 81.25440 -76.29579      108.2913 
1 1 1 11 9  32 o 325.1456 76.66781 10.03306       3.470056  10.39500       4.846137  9.652216       4.971048  298.9316 98.66934 284.7201 99.82686 14.21152       140.3604 
1 1 1 11 9  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 10 1  o 527.8650 14.29882 19.76742       1.067193  19.42391       1.507252  20.11275       1.511232  522.5568 20.42065 531.7963 20.11638 -9.239502      28.66481 
1 1 1 11 10 3  o 464.1041 15.31580 15.28981       1.004569  13.39359       1.367559  17.51217       1.480504  433.5248 22.36572 496.0423 21.13819 -62.51743      30.77415 
1 1 1 11 10 5  o 84.24913 36.69693 -0.1461594     0.8203806 -1.060694      1.085151  1.073800       1.253322  81.12232 37.94759 135.5990 49.80250 -54.47671      62.61237 
1 1 1 11 10 7  o 681.1480 16.48722 32.90029       1.589310  31.82615       2.025589  34.62066       2.563478  669.1075 21.41881 697.1443 26.02858 -28.03674      33.70835 
1 1 1 11 10 9  o 616.7394 13.95114 26.94951       1.217675  25.17919       1.694636  28.83923       1.750843  595.3867 20.14110 637.3177 19.43476 -41.93103      27.98882 
1 1 1 11 10 11 o 332.9180 21.53762 7.895470       1.009295  7.198864       1.547176  8.411525       1.331662  315.9652 35.19720 342.9525 27.67200 -26.98727      44.77256 
1 1 1 11 10 13 o 1233.706 14.22509 107.8104       2.483629  107.0405       3.753749  108.4098       3.312291  1228.469 21.59142 1236.641 18.92627 -8.171997      28.71225 
1 1 1 11 10 15 o 719.6689 17.15333 36.70959       1.747033  35.69265       2.416702  37.82275       2.528440  708.6464 24.13280 729.4568 24.52739 -20.81036      34.40908 
1 1 1 11 10 17 o 709.4839 18.18034 35.72812       1.823923  35.31840       2.509843  36.18665       2.655117  704.4020 25.21782 712.8242 26.36516 -8.422180      36.48370 
1 1 1 11 10 19 o 973.4932 19.16215 67.27907       2.639958  66.25483       3.312617  69.06182       4.370371  964.7986 24.28063 983.0948 31.45302 -18.29620      39.73463 
1 1 1 11 10 21 o 563.3902 24.95064 22.65135       1.984413  22.67674       2.551470  22.61247       3.157029  562.1320 32.20727 559.1781 40.16158 2.953857       51.48068 
1 1 1 11 10 23 o 414.6190 44.12276 12.61716       2.549279  15.95850       3.651152  9.438808       3.560988  461.6685 57.09883 346.4726 74.81686 115.1959       94.11609 
1 1 1 11 10 25 o 760.9659 28.47274 41.69506       3.060889  39.87513       4.312472  43.54274       4.345215  737.0303 41.51262 771.2908 39.94437 -34.26050      57.60946 
1 1 1 11 10 27 o 148.1271 62.13660 0.6551663      2.196866  -2.291580      3.062206  3.780197       3.153481  135.4749 63.49319 219.8125 79.25381 -84.33765      101.5507 
1 1 1 11 10 29 o 217.6902 69.18062 3.993702       2.395719  2.066324       3.380405  5.938633       3.395764  188.6608 77.93589 256.2866 82.46071 -67.62579      113.4626 
1 1 1 11 10 31 o 184.8682 76.34179 2.498104       3.241965  2.868891       4.511257  2.102101       4.662126  199.4075 86.46229 192.8276 85.59591 6.579895       121.6651 
1 1 1 11 10 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 11 0  o 888.6297 17.42085 56.01621       2.188937  56.01621       2.188937  56.01621       2.188937  888.6297 17.42085 888.6297 17.42085 0.000000       0.000000 
1 1 1 11 11 2  o 826.0610 12.49506 48.35121       1.460731  48.48812       2.059643  48.21265       2.071983  826.6741 17.60507 824.3025 17.76151 2.371643       25.00819 
1 1 1 11 11 4  o 737.7723 12.85792 38.56871       1.342496  38.17199       1.881901  38.97980       1.915701  733.4673 18.12993 741.1725 18.26369 -7.705261      25.73435 
1 1 1 11 11 6  o 223.4893 28.39264 3.611924       0.8777704 3.385482       1.233604  3.844147       1.249254  213.6720 42.29260 228.4633 40.09995 -14.79128      58.28096 
1 1 1 11 11 8  o 206.3867 35.28364 3.121794       0.9935628 4.379220       1.424355  1.930100       1.386625  243.8710 42.83241 165.1528 52.64836 78.71815       67.87094 
1 1 1 11 11 10 o 523.4242 15.43658 19.42913       1.142220  21.52395       1.648280  17.49377       1.584306  550.4276 21.19940 495.9943 22.63020 54.43335       31.00872 
1 1 1 11 11 12 o 811.3929 14.50632 46.63632       1.665743  46.96073       2.563903  46.39937       2.191194  813.3054 22.29657 809.0036 19.13862 4.301758       29.38408 
1 1 1 11 11 14 o 410.6876 19.99776 11.98983       1.158791  9.203005       1.736907  14.22521       1.555598  357.7726 34.74126 446.9247 24.69075 -89.15216      42.62145 
1 1 1 11 11 16 f 734.4692 17.58052 38.25615       1.827364  41.32666       2.565270  35.09290       2.603726  762.3039 23.80773 702.0088 26.25420 60.29510       35.44137 
1 1 1 11 11 18 o 382.5449 26.88732 10.47178       1.446355  12.42331       2.051419  8.542790       2.039543  415.2885 35.23712 342.1021 43.07984 73.18643       55.65543 
1 1 1 11 11 20 o 515.7475 25.92181 18.99852       1.885939  16.80667       2.354756  22.91977       3.149586  483.1881 34.66615 563.2399 39.76871 -80.05182      52.75692 
1 1 1 11 11 22 o 205.9225 57.65993 3.222014       1.746663  5.655361       2.218224  -0.7485572     2.833544  271.7802 59.33998 149.7471 66.58672 122.0331       89.19094 
1 1 1 11 11 24 f 456.1958 38.42627 15.22038       2.457800  12.16931       3.360062  18.73152       3.604507  397.4077 61.74723 500.2059 51.66114 -102.7982      80.50835 
1 1 1 11 11 26 o 591.6512 33.34510 25.54612       2.780714  22.95037       3.876162  28.29854       3.991418  550.1326 50.34436 614.3834 46.24531 -64.25073      68.36069 
1 1 1 11 11 28 f 137.6898 60.09362 0.7733816E-01  2.209300  -0.7783739     3.006647  1.081623       3.257219  147.0171 66.69964 174.4667 74.52621 -27.44960      100.0150 
1 1 1 11 11 30 o 119.6553 57.59745 -3.080440      2.878388  -1.896278      3.892137  -4.509850      4.276229  150.4728 70.85432 140.6274 68.29380 9.845383       98.40923 
1 1 1 11 11 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 11 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 12 1  o 492.9522 15.12590 17.24308       1.053978  16.93975       1.468225  17.56558       1.513925  487.9183 21.31448 496.8317 21.58304 -8.913361      30.33372 
1 1 1 11 12 3  o 230.8949 27.30924 3.846324       0.8751150 2.988616       1.248567  4.674545       1.226917  200.0646 45.17122 253.4634 35.14898 -53.39877      57.23539 
1 1 1 11 12 5  o 650.5245 13.51111 29.98360       1.243868  29.15131       1.707397  30.92492       1.815794  640.7622 18.84908 659.9099 19.46421 -19.14771      27.09508 
1 1 1 11 12 7  o 418.1560 20.06946 12.43254       1.184198  11.24246       1.647218  13.70551       1.703622  396.4225 29.57425 438.1916 27.61234 -41.76901      40.46082 
1 1 1 11 12 9  o 604.5006 14.51052 25.88789       1.241365  26.36664       1.758374  25.41220       1.752749  609.3726 20.41843 598.1965 20.73544 11.17603       29.10104 
1 1 1 11 12 11 o 595.2982 16.88113 25.13370       1.420748  25.75266       1.996394  24.49854       2.022340  601.9506 23.48006 586.9834 24.39812 14.96716       33.86121 
1 1 1 11 12 13 o 739.6815 15.10659 38.76506       1.581361  39.56065       2.423788  38.17540       2.086652  746.2503 22.97778 733.3937 20.12351 12.85663       30.54397 
1 1 1 11 12 15 o 550.9943 19.40434 21.56599       1.510731  21.48582       2.067086  21.65793       2.213404  549.0217 26.68406 550.9422 28.48472 -1.920471      39.03099 
1 1 1 11 12 17 o 952.0663 17.12634 64.30441       2.307553  64.84531       3.187192  63.70851       3.345289  954.9641 23.58313 945.9454 25.01088 9.018677       34.37598 
1 1 1 11 12 19 o 175.0853 55.47932 2.212826       1.541702  2.288251       1.959427  2.090247       2.497929  182.9301 62.75244 187.7950 70.06272 -4.864944      94.05665 
1 1 1 11 12 21 o 246.3786 51.81352 4.591429       1.749231  2.413708       2.203266  8.304521       2.876958  188.8569 66.44024 329.4277 64.01676 -140.5709      92.26295 
1 1 1 11 12 23 o 264.0822 50.53451 5.298172       1.819851  6.742662       2.293365  2.841924       2.990556  296.4868 56.72326 206.8618 76.75987 89.62503       95.44425 
1 1 1 11 12 25 o 400.4141 45.30949 12.03478       2.522485  15.42239       3.511139  8.421270       3.626312  447.0189 56.78060 315.1627 80.89940 131.8562       98.83699 
1 1 1 11 12 27 o 383.9481 45.71035 11.22985       2.435035  9.158798       3.406579  13.39359       3.481978  327.2895 75.13794 408.2259 62.23611 -80.93640      97.56558 
1 1 1 11 12 29 o 294.3784 58.55170 7.158386       2.353422  4.123630       3.296621  10.31243       3.360789  217.0251 80.58068 343.5342 71.45837 -126.5090      107.7012 
1 1 1 11 12 31 o 333.4175 72.00316 10.30572       3.297961  8.837299       4.706773  11.72197       4.622414  272.6434 96.99721 323.5840 94.83779 -50.94061      135.6564 
1 1 1 11 12 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 13 0  o 295.8451 32.08408 6.430418       1.303306  6.430418       1.303306  6.430418       1.303306  295.8451 32.08408 295.8451 32.08408 0.000000       0.000000 
1 1 1 11 13 2  o 336.4485 20.13477 8.061287       0.9543191 7.661624       1.321283  8.497161       1.379843  326.8451 28.86122 344.3788 28.56907 -17.53366      40.60988 
1 1 1 11 13 4  o 501.6305 15.32509 17.84992       1.086668  17.63751       1.525832  18.06853       1.547970  498.0116 21.70157 504.0657 21.75098 -6.054108      30.72562 
1 1 1 11 13 6  o 292.5212 23.58750 6.114341       0.9681970 6.778468       1.250957  5.122200       1.528985  307.3650 29.10536 264.4370 42.28001 42.92798       51.32954 
1 1 1 11 13 8  o 639.8909 16.27361 29.03506       1.472505  27.83401       2.002823  30.44806       2.172369  625.8793 22.64899 654.5464 23.48973 -28.66718      32.63042 
1 1 1 11 13 10 o 101.2370 41.40963 0.2582480      0.9421721 -0.6226803     1.393129  1.000793       1.279035  103.0974 46.20707 134.7692 50.16307 -31.67178      68.20138 
1 1 1 11 13 12 o 251.4818 29.24770 4.557074       1.021523  5.845844       1.596044  3.662805       1.329508  283.2040 41.01481 222.5207 43.77845 60.68330       59.98973 
1 1 1 11 13 14 o 995.0146 14.60883 70.16280       2.057143  74.57468       3.202760  67.06441       2.683988  1024.825 22.08284 972.2203 19.50725 52.60449       29.46497 
1 1 1 11 13 16 o 1400.089 17.04278 139.0627       3.376880  140.2673       4.681943  137.7566       4.875174  1404.509 23.55493 1391.529 24.75587 12.98022       34.17145 
1 1 1 11 13 18 o 227.0765 43.70656 3.838063       1.353584  3.195276       1.910761  4.485575       1.917772  206.7166 61.07891 243.1997 56.76013 -36.48306      83.38073 
1 1 1 11 13 20 o 452.9610 29.77315 14.73472       1.897976  13.33511       2.344354  17.39716       3.233408  428.4971 39.08939 487.1282 47.50557 -58.63107      61.52040 
1 1 1 11 13 22 o 725.4951 24.51815 37.64388       2.513724  36.60593       3.100930  39.63316       4.292920  713.2280 30.79415 737.3453 41.30491 -24.11737      51.52063 
1 1 1 11 13 24 o 284.5707 54.90039 6.294576       2.130872  6.325664       2.461580  6.201633       4.256248  281.5555 63.31782 270.5862 92.49646 10.96933       112.0926 
1 1 1 11 13 26 o 305.9525 57.20916 7.436643       2.386032  5.480292       3.347811  9.456301       3.401547  251.5712 81.95247 334.7693 73.78881 -83.19809      110.2769 
1 1 1 11 13 28 o 98.76450 48.12786 -3.344354      2.173756  -3.636714      3.097796  -3.060752      3.051048  122.7926 59.26872 125.7852 60.21946 -2.992592      84.49358 
1 1 1 11 13 30 o 266.8461 83.74155 7.340335       3.520489  11.78826       5.253820  3.715662       4.742759  311.2851 102.7354 206.5417 89.10250 104.7434       135.9920 
1 1 1 11 13 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 14 1  o 918.7845 12.84427 59.79593       1.670102  58.62872       2.346267  60.99473       2.377811  909.2905 18.23287 927.4692 18.11582 -18.17865      25.70254 
1 1 1 11 14 3  o 341.0454 19.99684 8.278621       0.9609123 9.825700       1.347814  6.679404       1.370337  370.9906 25.83264 304.5923 32.28064 66.39832       41.34447 
1 1 1 11 14 5  o 565.6055 15.07251 22.68295       1.205401  23.79511       1.702525  21.56510       1.706874  578.7911 20.81900 550.8466 21.93919 27.94452       30.24497 
1 1 1 11 14 7  o 282.0635 27.58345 5.706626       1.087013  6.260518       1.490436  5.077202       1.588814  294.1485 36.59253 262.9738 44.26176 31.17468       57.42923 
1 1 1 11 14 9  o 567.6666 15.53847 22.84945       1.247133  20.48866       1.721328  25.45798       1.809391  536.8632 22.70712 598.6839 21.39013 -61.82074      31.19537 
1 1 1 11 14 11 o 556.0764 16.90095 21.93855       1.328498  22.32838       2.027044  21.64502       1.758917  560.0441 25.64337 551.7672 22.57291 8.276917       34.16312 
1 1 1 11 14 13 o 268.3437 28.95720 5.184905       1.082291  5.168849       1.674918  5.196415       1.418116  264.4983 46.43898 266.8677 38.67460 -2.369476      60.43429 
1 1 1 11 14 15 o 665.6237 21.01130 31.50517       1.976775  29.27825       2.444460  35.71362       3.360404  640.6039 27.02403 706.0756 33.72703 -65.47168      43.21818 
1 1 1 11 14 17 o 473.0904 23.73714 15.96718       1.584173  17.03044       2.138853  14.67504       2.357841  487.2205 31.18324 450.7533 37.29554 36.46716       48.61432 
1 1 1 11 14 19 o 213.1612 53.90851 3.452931       1.627034  3.914162       2.075703  2.717973       2.620218  226.3010 62.66845 201.8696 72.30972 24.43135       95.68714 
1 1 1 11 14 21 o 363.5150 38.59961 9.664380       1.955434  9.719242       2.425061  9.562408       3.306190  361.1939 48.68013 349.8519 69.22845 11.34201       84.63058 
1 1 1 11 14 23 o 102.1367 48.09109 -1.748106      1.792550  -2.520283      2.208292  -0.2563995     3.069304  109.1357 51.96696 158.4473 69.93502 -49.31157      87.12906 
1 1 1 11 14 25 o 198.2654 60.25117 3.134045       1.839792  1.972188       2.329661  5.059489       2.999037  174.7371 67.09239 244.3125 77.37424 -69.57538      102.4117 
1 1 1 11 14 27 o 585.0815 34.39670 25.34665       2.835521  23.41789       3.958482  27.37925       4.063650  547.3774 51.71313 595.2888 48.65993 -47.91132      71.00730 
1 1 1 11 14 29 o 391.6501 61.58776 13.09476       3.301034  14.94211       4.729398  11.33978       4.609639  384.5174 88.71484 322.7030 94.74135 61.81436       129.7931 
1 1 1 11 14 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 14 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 15 0  o 215.5151 48.76015 3.765966       1.297015  3.765966       1.297015  3.765966       1.297015  215.5151 48.76015 215.5151 48.76015 0.000000       0.000000 
1 1 1 11 15 2  o 368.5254 18.78063 9.654570       0.9762543 11.10952       1.394231  8.255038       1.367423  394.7254 25.08842 339.5494 28.72567 55.17599       38.13913 
1 1 1 11 15 4  o 842.2432 13.25910 50.24557       1.580415  50.29397       2.221628  50.19600       2.248708  842.2391 18.63872 841.3963 18.88481 0.8427734      26.53371 
1 1 1 11 15 6  f 674.4078 16.21476 32.23077       1.547579  34.12659       2.180485  30.30644       2.196820  693.1567 22.25693 652.9836 23.81224 40.17316       32.59438 
1 1 1 11 15 8  o 332.2884 22.10358 7.869232       1.033526  9.167490       1.470342  6.601306       1.453064  357.8838 29.28654 302.4776 34.56448 55.40619       45.30347 
1 1 1 11 15 10 o 247.1040 30.50045 4.411141       1.043996  5.124978       1.580092  3.858077       1.390820  264.1210 43.80680 228.2361 44.65919 35.88492       62.55781 
1 1 1 11 15 12 o 210.5118 37.69170 3.263105       1.081666  2.599298       1.682363  3.730872       1.412257  188.7448 57.66721 223.8356 46.11765 -35.09082      73.84000 
1 1 1 11 15 14 o 433.5827 21.44415 13.39077       1.311750  12.47628       2.009578  14.06970       1.731513  416.2746 34.41918 443.5033 27.72599 -27.22870      44.19740 
1 1 1 11 15 16 o 937.1510 17.57609 62.34391       2.331050  62.05060       3.142249  62.70287       3.476192  933.4066 23.80699 937.6589 26.22200 -4.252319      35.41703 
1 1 1 11 15 18 o 98.76539 45.84005 -1.273752      1.534834  -0.8514717     1.861544  -2.170242      2.712347  117.4791 52.96838 130.7397 60.76828 -13.26065      80.61286 
1 1 1 11 15 20 o 332.0529 40.01712 8.098894       1.842631  9.041096       2.322028  6.496589       3.028087  348.3035 48.41454 285.9197 74.20055 62.38376       88.59847 
1 1 1 11 15 22 f 254.2659 52.81643 4.999641       1.838357  4.785855       2.319701  5.360629       3.014316  244.7007 65.63541 256.1500 76.96729 -11.44931      101.1532 
1 1 1 11 15 24 o 258.3246 53.56462 5.256259       1.893909  4.974069       2.344524  5.786227       3.212981  245.9230 65.99554 259.5273 79.76908 -13.60431      103.5303 
1 1 1 11 15 26 o 522.1723 36.37823 20.28190       2.671473  20.42557       3.807505  20.14260       3.749236  510.0130 53.54982 506.9001 53.04840 3.112946       75.37717 
1 1 1 11 15 28 o 196.5751 67.35065 3.359411       2.256925  4.078023       3.205992  2.653406       3.177742  211.3832 79.26981 187.6286 76.31185 23.75452       110.0327 
1 1 1 11 15 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 15 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 16 1  o 585.5531 16.32034 24.31736       1.351113  23.18641       1.992550  25.27997       1.838283  570.9070 24.72035 596.5105 21.81255 -25.60352      32.96791 
1 1 1 11 16 3  f 413.4476 18.16442 12.14163       1.060231  12.76141       1.485428  11.49799       1.513760  423.2016 24.91206 401.4011 26.80119 21.80051       36.59118 
1 1 1 11 16 5  o 749.0487 13.94168 39.74658       1.477900  40.87452       2.087544  38.61317       2.092598  758.9505 19.45183 737.5754 20.06612 21.37512       27.94678 
1 1 1 11 16 7  o 399.2078 21.47157 11.34107       1.208597  9.884958       1.632811  13.10565       1.797457  371.3457 31.36269 428.1741 29.85015 -56.82840      43.29723 
1 1 1 11 16 9  o 109.0754 43.62236 0.4247154      1.019347  2.891065       1.559370  -1.415559      1.346986  197.0316 54.22269 89.06732 41.85948 107.9643       68.50049 
1 1 1 11 16 11 f 170.7658 44.75335 2.173342       1.094431  2.048767       1.614137  2.279344       1.488949  171.7376 56.95486 177.0334 54.28211 -5.295731      78.67912 
1 1 1 11 16 13 o 648.5896 16.90316 29.86754       1.550199  31.21308       2.437836  28.95411       2.008605  661.5204 26.09120 637.7889 22.28773 23.73157       34.31462 
1 1 1 11 16 15 o 564.2128 21.38661 22.66689       1.704581  22.00105       2.279609  23.51133       2.567223  554.3640 29.15918 572.5055 31.81083 -18.14148      43.15306 
1 1 1 11 16 17 o 385.2104 29.83811 10.67627       1.613958  10.74834       2.148301  10.58289       2.445417  383.9917 40.12392 379.0993 46.55706 4.892365       61.46128 
1 1 1 11 16 19 o 126.6406 53.86126 0.1347743      1.688285  -1.915550      2.071336  4.192780       2.914041  111.4959 52.24366 234.4294 76.46529 -122.9335      92.60853 
1 1 1 11 16 21 o 133.8228 55.85758 0.4465158      1.762031  1.527728       2.210648  -1.437044      2.917788  166.5446 64.97054 141.6779 64.82589 24.86676       91.77999 
1 1 1 11 16 23 o 311.6249 44.77433 7.375981       1.917983  6.924671       2.345774  8.286189       3.331339  295.1499 58.22868 312.5341 76.05100 -17.38416      95.78275 
1 1 1 11 16 25 o 139.7911 57.35094 0.8365657      1.814024  0.3127089      2.257215  1.791956       3.048296  141.8957 61.34275 180.0261 74.15258 -38.13039      96.23688 
1 1 1 11 16 27 o 169.2530 65.54009 2.082553       2.236670  2.270697       3.278698  1.918781       3.058978  184.1664 76.47775 176.5606 73.63941 7.605789       106.1678 
1 1 1 11 16 29 o 234.7198 75.26826 5.497431       2.830895  5.146847       4.138439  5.805744       3.880935  218.1879 87.67735 229.2729 86.94253 -11.08499      123.4760 
1 1 1 11 16 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 17 0  f 167.7362 61.08178 2.668494       1.334241  2.668494       1.334241  2.668494       1.334241  167.7362 61.08178 167.7362 61.08178 0.000000       0.000000 
1 1 1 11 17 2  o 255.8680 27.36172 4.706084       0.9754217 4.463886       1.388340  4.942179       1.370737  246.6698 41.22414 260.4101 38.34066 -13.74034      56.29774 
1 1 1 11 17 4  o 723.2981 14.32829 37.06724       1.466666  35.02657       2.027455  39.30749       2.124290  702.3410 20.41949 744.0858 20.19169 -41.74475      28.71689 
1 1 1 11 17 6  o 515.3855 19.05626 18.86757       1.387526  18.19875       1.890260  19.64897       2.043164  505.2414 26.52939 524.8817 27.60267 -19.64032      38.28467 
1 1 1 11 17 8  o 448.4689 18.38666 14.29219       1.164483  12.73956       1.591653  16.08046       1.708169  422.3199 26.76872 474.8550 25.51217 -52.53510      36.97884 
1 1 1 11 17 10 o 133.0359 45.92213 1.161982       1.049855  2.133273       1.605669  0.4366642      1.387540  173.8770 56.76328 123.3348 50.32711 50.54218       75.86098 
1 1 1 11 17 12 o 448.8978 20.48658 14.34802       1.298047  16.16631       1.964487  12.93896       1.729345  475.0568 29.36376 424.8853 28.93269 50.17148       41.22295 
1 1 1 11 17 14 o 256.1649 32.93133 4.772839       1.166262  7.198588       1.864136  3.212706       1.494980  312.9858 43.23945 206.1434 51.41864 106.8425       67.18279 
1 1 1 11 17 16 o 331.3958 33.99617 7.963617       1.571818  5.443993       2.055008  11.51581       2.440022  267.5058 56.07826 396.2499 44.26693 -128.7441      71.44461 
1 1 1 11 17 18 o 125.0199 53.32043 0.9789038E-01  1.662647  0.9224300      2.050839  -1.483298      2.839995  152.5259 61.56984 140.6608 64.20664 11.86511       88.95694 
1 1 1 11 17 20 o 212.6109 58.20592 3.539011       1.802240  2.830072       2.191720  5.019293       3.167038  195.1266 66.38174 248.9819 79.58802 -53.85530      103.6378 
1 1 1 11 17 22 o 179.6521 60.39922 2.453717       1.814277  1.950871       2.221453  3.460965       3.144042  172.8935 65.72803 213.1239 78.77438 -40.23045      102.5942 
1 1 1 11 17 24 o 146.8190 58.05456 1.203349       1.785710  1.251594       2.239974  1.119223       2.957875  157.2445 64.02672 168.7846 71.51877 -11.54013      95.99143 
1 1 1 11 17 26 o 291.9129 46.67138 6.726502       1.863161  6.964595       2.291975  6.262637       3.199140  289.3991 57.98417 257.2369 79.69038 32.16223       98.55314 
1 1 1 11 17 28 o 156.9273 68.57383 1.099569       2.884499  0.3209380      4.040895  1.908518       4.118816  164.2249 75.56495 179.8014 80.09517 -15.57646      110.1149 
1 1 1 11 17 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 18 1  o 144.2639 43.44354 1.505636       0.9595703 1.912678       1.346137  1.085138       1.368207  163.9055 51.82931 139.4096 51.88382 24.49585       73.33627 
1 1 1 11 18 3  o 373.0098 20.61326 9.905914       1.083914  11.05758       1.557379  8.823958       1.509513  393.1714 28.17613 350.6009 30.73365 42.57047       41.69474 
1 1 1 11 18 5  o 174.5778 40.58183 2.270375       0.9835402 2.138136       1.369882  2.411068       1.412991  171.3805 51.97165 180.6807 52.28630 -9.300232      73.72184 
1 1 1 11 18 7  o 533.5446 17.76945 20.22017       1.339856  21.85455       1.969991  18.81339       1.827686  553.6722 25.20766 513.6202 25.22144 40.05206       35.65876 
1 1 1 11 18 9  o 308.1962 26.71569 6.816867       1.153737  5.395095       1.700790  8.028805       1.570276  269.8089 46.20327 333.3806 33.74676 -63.57172      57.21526 
1 1 1 11 18 11 o 416.5078 21.46694 12.36699       1.261088  12.92852       1.876184  11.90422       1.703230  424.1139 31.48339 407.2186 29.76013 16.89529       43.32285 
1 1 1 11 18 13 o 467.5693 20.52621 15.57410       1.354924  12.92028       2.089710  17.49895       1.779709  422.8985 35.23634 494.8030 25.50144 -71.90445      43.49624 
1 1 1 11 18 15 o 384.5576 29.64201 10.64628       1.600762  9.795373       2.120890  11.77267       2.440179  365.6759 41.72886 400.6595 43.74534 -34.98361      60.45620 
1 1 1 11 18 17 o 234.1391 49.86963 4.173689       1.601799  3.484932       2.115134  5.099872       2.452749  213.1997 64.56384 254.7582 67.10896 -41.55849      93.12412 
1 1 1 11 18 19 o 125.7209 53.99983 0.7311507E-01  1.727435  -0.4784442     2.071835  1.330974       3.128780  128.2385 56.98516 181.3737 74.95753 -53.13521      94.15912 
1 1 1 11 18 21 o 103.7067 48.44389 -1.430674      1.758245  -2.857635      2.124680  1.669706       3.131808  102.3970 49.33929 182.8768 75.22689 -80.47977      89.96361 
1 1 1 11 18 23 o 237.5489 54.33521 4.544930       1.786886  4.533629       2.195251  4.567121       3.076087  232.6521 64.45573 229.8112 78.63208 2.840912       101.6737 
1 1 1 11 18 25 o 131.8191 55.64866 0.5689053      1.779879  2.716960       2.187894  -3.634524      3.060592  183.2959 66.02384 120.6619 58.40322 62.63401       88.14808 
1 1 1 11 18 27 o 181.4813 59.87375 2.888264       1.784519  2.705325       2.211029  3.230120       3.022479  177.0897 65.94637 189.7261 75.36631 -12.63640      100.1449 
1 1 1 11 18 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 18 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 19 0  o 166.9451 65.02060 2.732134       1.464423  2.732134       1.464423  2.732134       1.464423  166.9451 65.02060 166.9451 65.02060 0.000000       0.000000 
1 1 1 11 19 2  o 408.5522 19.95030 11.87972       1.150010  9.389087       1.578820  14.69468       1.678470  361.4352 31.17041 453.6037 26.25897 -92.16852      40.75693 
1 1 1 11 19 4  o 203.4264 36.18045 3.048823       1.003425  1.826706       1.381143  4.414997       1.460277  161.2533 52.64540 244.1280 43.87955 -82.87469      68.53432 
1 1 1 11 19 6  o 216.6488 38.83267 3.467846       1.146885  2.885257       1.593776  4.093516       1.651654  196.2292 55.12634 233.1950 51.43114 -36.96585      75.39281 
1 1 1 11 19 8  o 144.6260 46.30003 1.484373       1.071510  0.3580858      1.536403  2.550961       1.495130  126.6510 52.45153 185.0786 53.85094 -58.42757      75.17372 
1 1 1 11 19 10 o 94.15903 41.59182 -0.3114288     1.087596  -1.264894      1.602550  0.5027066      1.480838  101.8238 47.11351 127.7332 52.04060 -25.90945      70.19905 
1 1 1 11 19 12 o 449.2311 21.02465 14.38797       1.332944  14.31850       2.015256  14.44200       1.777236  445.9174 32.15003 448.7544 28.12588 -2.837006      42.71638 
1 1 1 11 19 14 o 296.0061 30.66051 6.345239       1.265823  7.318653       1.994636  5.688869       1.637906  313.9154 46.28566 276.9413 43.20028 36.97415       63.31371 
1 1 1 11 19 16 o 240.6129 48.49784 4.396890       1.594327  5.747607       2.076872  2.458804       2.487792  273.5828 55.54067 192.1296 70.23067 81.45323       89.53834 
1 1 1 11 19 18 o 379.8010 35.70485 10.57825       1.896614  9.078377       2.292982  13.82718       3.374770  346.6963 48.02174 423.6867 57.78791 -76.99042      75.13674 
1 1 1 11 19 20 o 161.6174 58.52259 1.817966       1.721786  1.857424       2.050083  1.723501       3.172038  167.8038 63.28965 184.0030 75.70128 -16.19919      98.67251 
1 1 1 11 19 22 o 236.3739 55.34615 4.524508       1.818619  4.458676       2.175080  4.677453       3.315308  230.6243 64.25887 231.6254 81.49923 -1.001114      103.7850 
1 1 1 11 19 24 o 177.8880 60.31097 2.574165       1.809015  3.722413       2.259365  0.5232478      3.019553  207.2723 67.31060 158.1347 69.59832 49.13762       96.82274 
1 1 1 11 19 26 o 106.7796 49.42112 -0.8550868     1.765302  -0.1066996     2.200381  -2.206782      2.957155  128.4295 57.77420 124.9637 59.67897 3.465858       83.06286 
1 1 1 11 19 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 19 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 20 1  o 96.59033 41.38876 -0.3269929E-01 1.010305  -0.1045340     1.413895  0.4224351E-01  1.444160  112.7126 48.63738 116.7975 49.74982 -4.084877      69.57470 
1 1 1 11 20 3  o 134.7832 46.25256 1.208883       1.064510  2.428875       1.503352  -0.1792700E-01 1.507547  181.2958 54.32790 118.0329 50.56713 63.26289       74.21964 
1 1 1 11 20 5  o 287.7190 31.39689 5.987827       1.257703  5.226953       1.767409  6.768391       1.790130  264.4476 49.03059 303.4724 42.87467 -39.02484      65.13245 
1 1 1 11 20 7  o 343.2057 23.85099 8.427878       1.151251  8.441962       1.596368  8.412615       1.661836  341.6898 33.44037 340.7543 34.95596 0.9354248      48.37538 
1 1 1 11 20 9  o 101.7237 43.32877 0.2605348E-01  1.095413  0.9656065      1.601409  -0.8001332     1.501691  142.0116 55.32700 104.1301 47.20098 37.88155       72.72558 
1 1 1 11 20 11 o 90.62582 41.05043 -0.6072063     1.133400  -0.4433663     1.666914  -0.7480816     1.545683  116.1843 51.39790 106.6005 48.14599 9.583778       70.42571 
1 1 1 11 20 13 o 166.5811 48.95059 2.073473       1.230086  5.242047       1.955350  -0.1774793E-02 1.582441  262.0447 54.50455 120.4225 51.70333 141.6223       75.12643 
1 1 1 11 20 15 o 275.1571 41.94527 5.639333       1.581789  5.562426       2.038332  5.755761       2.507965  268.6951 55.44370 269.7772 66.19467 -1.082092      86.34661 
1 1 1 11 20 17 o 248.5987 47.29274 4.730801       1.603067  5.315182       2.043787  3.796429       2.584324  259.9955 57.11041 219.2816 72.03847 40.71391       91.93008 
1 1 1 11 20 19 o 274.3062 46.65540 5.795966       1.746375  6.614615       2.083372  3.861432       3.202625  290.4614 52.61947 219.6224 79.77431 70.83900       95.56542 
1 1 1 11 20 21 o 121.7307 52.79139 0.8124104E-01  1.682399  0.3072416      1.977893  -0.5101894     3.199631  134.2283 57.71978 152.9898 69.16775 -18.76152      90.08746 
1 1 1 11 20 23 o 108.0721 49.44771 -0.7485204     1.697472  -1.637300      2.076190  1.043404       2.948016  109.9264 51.75805 163.4046 70.36890 -53.47819      87.35376 
1 1 1 11 20 25 f 138.4554 59.87079 0.6722031      2.151282  2.231635       3.115296  -0.7493038     2.974340  175.0389 73.74352 137.9250 63.94542 37.11385       97.60698 
1 1 1 11 20 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 20 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 21 0  o 130.3196 66.39793 1.808702       1.538434  1.808702       1.538434  1.808702       1.538434  130.3196 66.39793 130.3196 66.39793 0.000000       0.000000 
1 1 1 11 21 2  f 113.3418 45.46365 0.4661105      1.110620  0.6136739      1.574542  0.3199956      1.566794  133.2400 53.88978 126.7264 52.76636 6.513657       75.42146 
1 1 1 11 21 4  o 155.2553 47.03328 1.765793       1.122317  2.208959       1.540321  1.264254       1.638627  174.5053 55.47355 150.2704 56.60357 24.23494       79.25452 
1 1 1 11 21 6  o 90.44788 41.26013 -0.7253411     1.170398  -2.906797      1.577361  1.946926       1.745814  83.07896 40.59594 169.9352 59.18824 -86.85625      71.77241 
1 1 1 11 21 8  o 183.7056 44.82754 2.545669       1.154980  3.052902       1.703395  2.114023       1.571359  200.7124 57.19867 171.7351 56.15921 28.97736       80.15949 
1 1 1 11 21 10 o 111.9628 46.02378 0.3331934      1.171159  0.6792798      1.703046  0.2268145E-01  1.613145  138.0984 55.97646 122.0761 52.30393 16.02222       76.60983 
1 1 1 11 21 12 o 188.2063 46.55139 2.693797       1.232945  2.107147       1.819419  3.191970       1.676616  174.1498 60.43677 203.8823 56.26974 -29.73248      82.57655 
1 1 1 11 21 14 o 183.0350 47.84531 2.566504       1.252995  0.9258929      1.899926  3.829299       1.666865  147.5214 59.36288 222.2684 53.61497 -74.74706      79.99073 
1 1 1 11 21 16 o 153.4804 55.52347 1.582378       1.549363  2.784811       1.950495  -0.4736493     2.550521  190.4379 62.58512 141.4738 63.02446 48.96414       88.81993 
1 1 1 11 21 18 o 138.8713 53.68696 1.111386       1.498976  1.025639       1.848258  1.276183       2.562277  145.2795 58.51876 165.1290 67.99728 -19.84952      89.71107 
1 1 1 11 21 20 o 121.9179 52.11065 0.2572306      1.594240  -0.4028623     1.897004  1.844417       2.941573  120.5877 53.99231 178.0608 73.03918 -57.47318      90.82891 
1 1 1 11 21 22 o 112.9825 50.14035 -0.1862075     1.598762  -1.123680      1.911773  1.994484       2.915775  110.2246 51.15918 176.1841 72.54158 -65.95947      88.76678 
1 1 1 11 21 24 o 162.0757 64.05704 2.006293       2.173123  -2.789176      3.256701  5.855345       2.917690  126.8495 61.11239 240.9805 76.31750 -114.1309      97.77058 
1 1 1 11 21 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 21 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 22 1  o 117.2576 46.80138 0.5346683      1.170978  0.7949828      1.665387  0.2801332      1.646796  139.7670 55.80443 128.4296 53.83088 11.33748       77.53643 
1 1 1 11 22 3  o 370.6696 26.35773 9.859463       1.373638  8.094344       1.751911  12.67646       2.213187  333.0676 37.83700 417.7093 37.84939 -84.64166      53.51836 
1 1 1 11 22 5  o 160.2921 50.19088 1.874456       1.265361  3.134787       1.815413  0.6836274      1.764647  203.2834 59.39370 140.1802 56.92133 63.10323       82.26572 
1 1 1 11 22 7  o 151.3170 49.38471 1.631449       1.215405  1.009610       1.751042  2.209560       1.688354  146.5714 57.63249 175.5767 58.25026 -29.00531      81.94263 
1 1 1 11 22 9  o 215.3632 42.28464 3.483463       1.242745  3.294455       1.842293  3.641282       1.683443  207.2192 59.62344 217.6046 54.72612 -10.38541      80.93147 
1 1 1 11 22 11 o 104.5837 45.46359 -0.1322923     1.253913  -1.130602      1.864388  0.6922513      1.694379  112.7938 51.68816 137.2886 55.76569 -24.49481      76.03603 
1 1 1 11 22 13 o 155.8345 51.18914 1.770691       1.304904  3.551773       1.967347  0.3715993      1.743661  212.4795 61.75758 131.6411 55.29791 80.83836       82.89667 
1 1 1 11 22 15 f 171.1259 56.44379 2.213473       1.585950  2.837979       1.956845  1.018057       2.707370  191.0453 62.68171 165.4788 69.16711 25.56647       93.34391 
1 1 1 11 22 17 o 262.9854 42.73660 5.296996       1.536007  4.875828       1.908377  6.071735       2.588300  245.8434 56.09403 268.1687 68.08810 -22.32524      88.21864 
1 1 1 11 22 19 o 103.5498 47.34575 -0.7511324     1.552676  -1.658188      1.833789  1.545905       2.918211  102.4305 48.35515 172.3206 71.90218 -69.89010      86.64954 
1 1 1 11 22 21 o 99.51263 46.26208 -1.030468      1.573051  0.4705313E-01  1.846266  -3.884555      3.004796  123.9926 54.50210 116.8673 56.86737 7.125252       78.76787 
1 1 1 11 22 23 o 156.5057 63.18811 1.753370       2.160507  1.024001       3.164172  2.390424       2.957160  158.9850 70.54799 174.8618 72.62389 -15.87683      101.2484 
1 1 1 11 22 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 22 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 23 0  o 364.5399 36.96204 9.781966       1.858298  9.781966       1.858298  9.781966       1.858298  364.5399 36.96204 364.5399 36.96204 0.000000       0.000000 
1 1 1 11 23 2  o 332.9065 28.39167 7.993655       1.324868  9.064980       1.874315  6.923859       1.872977  352.1003 38.22731 305.2894 44.67325 46.81094       58.79649 
1 1 1 11 23 4  o 127.9247 48.64226 0.8822493      1.216796  2.177223       1.698701  -0.4824013     1.743802  174.5184 58.44124 118.0174 52.37056 56.50101       78.47327 
1 1 1 11 23 6  o 119.6859 48.49746 0.4975071      1.277886  1.575197       1.961839  -0.2967194     1.684180  163.7531 61.87909 118.6701 52.11216 45.08297       80.89931 
1 1 1 11 23 8  o 204.6913 45.15791 3.186178       1.272984  4.047622       1.881377  2.458772       1.728824  227.9862 58.13848 181.9949 58.86218 45.99130       82.73355 
1 1 1 11 23 10 o 198.6749 46.31301 3.025649       1.278028  2.373625       1.837722  3.636354       1.778539  180.0147 60.78896 215.5901 57.31234 -35.57547      83.54641 
1 1 1 11 23 12 o 116.2949 47.54824 0.4571031      1.241545  0.1139371      1.866563  0.7293985      1.662688  130.1938 56.02940 135.7537 55.20489 -5.559860      78.65668 
1 1 1 11 23 14 o 203.6996 44.18619 3.213570       1.237068  3.293252       1.903199  3.155276       1.627850  202.2428 61.24345 198.7796 55.66592 3.463211       82.76143 
1 1 1 11 23 16 o 130.1773 52.61746 0.7762560      1.499996  2.761184       1.924955  -2.292226      2.393371  186.0368 62.21016 114.7943 54.50078 71.24249       82.70695 
1 1 1 11 23 18 o 143.8450 53.50588 1.418304       1.454723  2.030459       1.823221  0.3458364      2.413241  164.7744 60.13977 144.2279 62.87900 20.54652       87.00896 
1 1 1 11 23 20 o 145.1972 60.61148 1.016152       2.075034  -0.2466827     2.954668  2.245156       2.914822  145.7613 66.12621 178.0000 72.82507 -32.23866      98.36751 
1 1 1 11 23 22 o 187.3835 70.09055 3.279355       2.503170  4.181437       3.338150  2.120472       3.783579  202.4084 79.57829 176.5068 77.78725 25.90160       111.2814 
1 1 1 11 23 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 23 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 24 1  o 106.7163 45.90702 -0.2493514E-01 1.252076  -2.740127      1.781142  2.627520       1.760444  92.21224 44.61382 187.0943 59.28461 -94.88210      74.19608 
1 1 1 11 24 3  o 118.0801 47.99862 0.4739732      1.256343  -0.5887731     1.834058  1.413519       1.724476  119.1598 53.23985 154.3199 58.08070 -35.16003      78.78990 
1 1 1 11 24 5  o 160.8828 53.23471 1.874154       1.410383  2.030447       2.044070  1.732131       1.948523  174.7199 63.69214 166.1241 61.89916 8.595825       88.81551 
1 1 1 11 24 7  o 173.3301 50.71583 2.293831       1.322837  -0.3025408     1.919512  4.642283       1.825570  125.8682 55.44056 244.2955 54.21946 -118.4273      77.54615 
1 1 1 11 24 9  o 161.1941 50.26815 1.959604       1.270611  2.483939       1.860236  1.501044       1.739649  182.0309 61.15915 155.2778 58.35826 26.75317       84.53477 
1 1 1 11 24 11 f 114.3206 46.94320 0.4319930      1.216752  -0.8345714     1.702452  1.754504       1.739646  109.2768 49.81593 160.3575 58.71082 -51.08072      76.99731 
1 1 1 11 24 13 o 122.8296 48.25511 0.7803503      1.226651  1.651128       1.878666  0.1332288      1.619530  158.8834 60.43443 121.0715 52.14779 37.81189       79.82300 
1 1 1 11 24 15 o 119.2346 49.78598 0.4351748      1.400521  0.8029335      1.716118  -0.2981949     2.423411  135.9002 55.77124 136.6611 61.11918 -0.7608643     82.74047 
1 1 1 11 24 17 o 141.9818 53.12724 1.381067       1.438421  1.681473       1.760856  0.7785249      2.493808  154.7378 58.58963 151.3413 64.94104 3.396545       87.46476 
1 1 1 11 24 19 o 151.2551 61.99158 1.360429       2.116756  -2.097752      2.990206  4.834100       2.996896  128.1454 60.86223 223.2079 77.55999 -95.06252      98.58886 
1 1 1 11 24 21 o 137.0958 60.84577 0.4606341      2.354752  -1.888918      3.184085  3.296776       3.498292  129.7989 61.97120 187.2163 78.46396 -57.41737      99.98511 
1 1 1 11 24 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 24 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 25 0  o 131.2814 71.01231 1.856908       1.842447  1.856908       1.842447  1.856908       1.842447  131.2814 71.01231 131.2814 71.01231 0.000000       0.000000 
1 1 1 11 25 2  o 192.2660 48.70649 2.859068       1.326586  5.336595       1.934516  0.6598299      1.822633  261.9434 53.98098 139.3238 57.35796 122.6196       78.76472 
1 1 1 11 25 4  o 137.0620 52.77613 1.035708       1.444374  2.748097       2.068095  -0.5949340     2.018128  190.8459 64.48660 124.3247 55.67567 66.52122       85.19567 
1 1 1 11 25 6  o 111.2837 47.31576 0.1437439      1.302209  0.3252584      1.941656  -0.4646228E-02 1.755574  135.8350 57.76634 124.4193 53.94244 11.41576       79.03630 
1 1 1 11 25 8  o 147.2189 50.55566 1.557681       1.271861  -0.3320733     1.805257  3.420155       1.792179  120.1756 53.30916 206.4342 58.61783 -86.25866      79.23331 
1 1 1 11 25 10 o 79.97739 38.16119 -1.458574      1.203546  -2.363500      1.721737  -0.5938435     1.683064  91.90657 44.31725 111.3976 50.28307 -19.49098      67.02541 
1 1 1 11 25 12 o 143.6950 48.33535 1.538597       1.161897  1.089725       1.700782  1.931414       1.591043  141.8359 56.47241 160.7078 56.46599 -18.87183      79.85951 
1 1 1 11 25 14 o 132.3476 47.57839 1.225053       1.135524  1.922788       1.694342  0.6561393      1.529956  160.4945 58.06284 127.2283 52.48235 33.26620       78.26678 
1 1 1 11 25 16 o 172.2057 61.63874 2.383141       1.903562  0.8637612      2.912733  3.515860       2.514946  158.9570 69.19360 200.2284 70.93570 -41.27141      99.09404 
1 1 1 11 25 18 o 140.6401 58.84272 0.9966263      1.962337  2.019960       2.855391  0.8073399E-01  2.701339  170.3888 71.11220 142.0014 63.93517 28.38737       95.62766 
1 1 1 11 25 20 f 118.6943 55.32152 -0.8371630     2.272378  -0.8745211     3.000697  -0.7869334     3.479447  133.3788 62.61938 141.9796 66.89748 -8.600739      91.63220 
1 1 1 11 25 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 25 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 26 1  o 129.4514 50.42834 0.8952948      1.330275  1.153146       1.871066  0.6317279      1.891689  149.0103 59.26371 139.1881 57.96940 9.822189       82.90138 
1 1 1 11 26 3  o 96.70299 43.61425 -0.5125958     1.263218  0.6367866      1.739935  -1.793695      1.836928  134.9281 55.84287 102.2393 48.30462 32.68874       73.83605 
1 1 1 11 26 5  o 137.7574 51.30374 1.213823       1.338222  2.491844       1.960102  0.9800141E-01  1.831500  180.5845 62.72647 127.3959 55.16515 53.18863       83.53325 
1 1 1 11 26 7  o 181.4434 50.34701 2.616693       1.338243  1.740715       1.976016  3.358874       1.818860  162.2088 61.91283 202.7310 59.51026 -40.52220      85.87589 
1 1 1 11 26 9  o 80.49326 38.30957 -1.368819      1.197117  -3.841659      1.760731  0.7569309      1.632491  81.20731 40.28323 132.8792 54.44820 -51.67194      67.72995 
1 1 1 11 26 11 o 181.4721 45.69770 2.622901       1.172731  3.681875       1.704677  1.671390       1.615869  210.8593 56.13480 153.1021 56.49401 57.75714       79.64100 
1 1 1 11 26 13 o 87.49193 39.98499 -0.5657851     1.105730  0.4233485      1.626704  -1.415333      1.507561  124.4610 52.89965 92.37305 43.67826 32.08790       68.60149 
1 1 1 11 26 15 o 109.9722 51.37840 -1.231090      1.978933  0.8545933      2.804865  -3.298342      2.792444  155.1986 67.72335 114.4623 55.49353 40.73628       87.55560 
1 1 1 11 26 17 o 98.24564 47.40028 -2.251400      1.976233  0.9441542      2.994683  -4.716564      2.630273  155.0435 68.72460 99.67448 49.40756 55.36902       84.64146 
1 1 1 11 26 19 o 111.5874 52.77780 -1.282582      2.203898  -2.271645      2.836400  0.2243322      3.501062  117.7469 56.80343 148.9432 69.16482 -31.19632      89.50085 
1 1 1 11 26 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 26 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 27 0  o 171.8707 74.34225 3.211162       1.863363  3.211162       1.863363  3.211162       1.863363  171.8707 74.34225 171.8707 74.34225 0.000000       0.000000 
1 1 1 11 27 2  o 175.1936 50.91361 2.448008       1.337193  5.075067       1.869858  -0.3017740     1.913035  250.5425 54.30592 122.5773 54.59607 127.9652       77.00561 
1 1 1 11 27 4  o 119.5014 50.94330 0.2694814      1.516464  -0.8109583     2.310549  1.087076       2.009943  127.2179 58.01015 148.2704 60.54544 -21.05248      83.85062 
1 1 1 11 27 6  o 140.8783 50.88140 1.400439       1.300456  3.406129       1.905176  -0.3493556     1.779495  201.7167 61.31499 117.1210 52.37740 84.59573       80.64069 
1 1 1 11 27 8  o 171.3719 48.86243 2.362028       1.242748  3.288733       1.797785  1.513949       1.719829  198.0303 59.42585 150.5072 57.68227 47.52315       82.81712 
1 1 1 11 27 10 o 137.6910 48.52349 1.395193       1.175562  0.9757664      1.781366  1.718768       1.564631  139.0963 56.92254 152.3926 55.69765 -13.29633      79.63921 
1 1 1 11 27 12 o 174.7812 53.41803 2.542777       1.443419  5.868481       2.908175  1.455714       1.662670  247.3759 75.86470 146.1431 56.53049 101.2329       94.61051 
1 1 1 11 27 14 o 135.8491 57.53884 0.8035922      1.913179  -0.4412007     2.733168  1.999475       2.678935  136.3588 62.52270 167.6323 69.32697 -31.27350      93.35587 
1 1 1 11 27 16 o 101.3475 48.48216 -1.780538      1.969258  0.4243601      2.983528  -3.482659      2.621387  146.2104 66.37677 105.7033 51.79457 40.50715       84.19354 
1 1 1 11 27 18 o 116.4910 53.10460 -0.1767610     1.934640  0.8082118      2.872513  -0.9944587     2.617256  144.9641 65.53823 122.4941 57.80905 22.47000       87.39076 
1 1 1 11 27 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 27 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 28 1  o 144.9801 51.98145 1.535919       1.354417  1.440374       1.903828  1.633830       1.927258  151.7180 59.95888 156.2410 60.74488 -4.522949      85.35226 
1 1 1 11 28 3  o 150.7411 57.18873 1.573135       1.679625  0.8084625      2.788486  2.008546       2.104168  157.1388 68.05638 166.4760 63.80271 -9.337173      93.28696 
1 1 1 11 28 5  f 136.6001 50.94160 1.278117       1.320267  0.6582146      1.949429  1.803381       1.794463  136.9770 58.05183 157.4725 59.25182 -20.49554      82.95055 
1 1 1 11 28 7  o 70.91045 34.87346 -2.315604      1.223138  -3.054192      1.811601  -1.696857      1.658127  87.72465 43.00006 94.54647 45.02301 -6.821823      62.25814 
1 1 1 11 28 9  f 84.50577 39.85275 -1.125288      1.239830  -2.109584      1.787477  -0.2126634     1.721170  94.60065 45.49917 115.2699 51.53340 -20.66920      68.74493 
1 1 1 11 28 11 f 161.6962 52.43404 2.176473       1.371310  3.330146       2.816196  1.817911       1.570015  191.4371 73.69869 152.2917 55.77223 39.14540       92.42315 
1 1 1 11 28 13 o 132.8162 57.37237 0.6728145      1.971399  3.182726       2.790311  -1.828722      2.785652  184.1829 72.65066 122.2468 58.25389 61.93616       93.12160 
1 1 1 11 28 15 o 130.4781 56.42004 0.7743138      1.910361  -0.3434664     2.769660  1.788681       2.638431  132.0836 61.39768 155.7502 66.81461 -23.66661      90.74066 
1 1 1 11 28 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 28 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 28 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 29 0  o 103.6519 64.09500 0.8580480      1.856856  0.8580480      1.856856  0.8580480      1.856856  103.6519 64.09500 103.6519 64.09500 0.000000       0.000000 
1 1 1 11 29 2  o 86.71001 41.00087 -1.241540      1.328461  -1.951875      1.842099  -0.4717606     1.917631  97.92936 46.85879 117.3438 53.24936 -19.41441      70.93124 
1 1 1 11 29 4  o 174.4578 53.66090 2.558864       1.453643  4.852859       2.057876  0.2742732      2.053654  234.3871 61.33921 131.3370 57.61382 103.0501       84.15374 
1 1 1 11 29 6  o 115.1848 48.49030 0.4537467      1.345354  -1.741129      1.856028  2.883723       1.952903  100.0041 47.62534 181.7181 62.63627 -81.71402      78.68594 
1 1 1 11 29 8  o 121.0114 50.77429 0.6010145      1.467429  4.149327       2.806699  -0.7337998     1.721454  205.3311 74.66637 106.6043 49.14894 98.72686       89.39063 
1 1 1 11 29 10 o 96.60515 46.67554 -2.219615      1.933087  -0.1947641     2.700603  -4.347171      2.768246  135.6275 62.17313 104.4489 51.57597 31.17862       80.78105 
1 1 1 11 29 12 o 123.7912 55.56229 0.1628617      2.022375  1.836748       2.989354  -1.249822      2.746229  159.9291 69.84888 123.6792 58.62019 36.24990       91.18768 
1 1 1 11 29 14 o 111.5096 52.05818 -0.6873038     2.025531  -4.631904      2.791821  3.696783       2.943239  100.4387 49.97423 182.1229 73.67226 -81.68419      89.02261 
1 1 1 11 29 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 29 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 29 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 30 1  o 186.2308 55.08091 3.039658       1.553274  3.442000       2.194197  2.635504       2.199134  191.9042 66.38200 173.6930 65.54139 18.21120       93.28581 
1 1 1 11 30 3  o 103.2205 48.53126 -1.208726      1.813874  -5.199406      3.437051  0.3317669      2.135464  115.1436 56.96877 131.4754 58.16805 -16.33189      81.41843 
1 1 1 11 30 5  o 122.9368 51.76005 0.6722997      1.533206  -2.485803      2.512846  2.545263       1.935162  110.4271 53.31999 169.5362 61.94589 -59.10915      81.73319 
1 1 1 11 30 7  o 163.0901 54.91692 2.347225       1.499843  4.162159       2.629664  1.472151       1.825963  200.0387 72.33955 143.3645 58.01559 56.67424       92.72981 
1 1 1 11 30 9  o 119.8990 54.18897 0.2457768E-01  1.961937  1.101107       2.714392  -1.153056      2.838996  146.6354 65.18922 125.4695 59.50772 21.16582       88.26553 
1 1 1 11 30 11 o 135.0871 57.69756 1.149435       1.951860  4.462246       2.837928  -1.824353      2.688798  195.1040 74.26226 115.3401 55.55777 79.76385       92.74454 
1 1 1 11 30 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 30 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 30 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 30 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 31 0  o 115.5488 70.66959 1.490778       2.200243  1.490778       2.200243  1.490778       2.200243  115.5488 70.66959 115.5488 70.66959 0.000000       0.000000 
1 1 1 11 31 2  o 107.8578 49.92067 -0.5826218     1.801244  -0.7396995     3.530517  -0.5273473     2.094323  139.5130 66.22411 115.9375 53.71907 23.57559       85.27233 
1 1 1 11 31 4  o 81.45966 39.89855 -2.333152      1.550588  -2.629629      2.547151  -2.158597      1.954458  107.2838 52.23868 95.73255 46.41611 11.55121       69.88086 
1 1 1 11 31 6  o 114.2451 52.38528 -0.2110176     1.918967  0.8500820      2.634784  -1.409745      2.800445  139.8483 63.03857 120.6171 57.73127 19.23128       85.47959 
1 1 1 11 31 8  o 164.6527 62.20222 2.713196       1.982073  2.082779       2.568085  3.642020       3.117184  153.9546 65.97867 176.8996 74.09849 -22.94493      99.21577 
1 1 1 11 31 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 31 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 31 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 31 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 32 1  o 123.6888 52.58135 0.9211047      1.607708  -0.8814075     2.477456  2.232368       2.113059  116.9574 55.50520 153.0619 62.23750 -36.10450      83.39264 
1 1 1 11 32 3  o 104.9471 47.61783 -0.7357200E-01 1.532876  -0.3865847     2.351897  0.1575895      2.021134  119.1299 55.77197 119.1365 54.29831 -0.6614685E-02 77.83842 
1 1 1 11 32 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 32 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 32 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 32 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 32 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 32 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 33 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 34 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 34 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 34 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 34 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 34 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 35 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 35 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11 35 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 0  0  o 775.2109 26.04816 42.72435       2.850381  42.72435       2.850381  42.72435       2.850381  775.2109 26.04816 775.2109 26.04816 0.000000       0.000000 
1 1 1 12 0  2  o 977.8944 24.57673 67.95852       3.396375  67.95852       3.396375  67.95852       3.396375  977.8944 24.57673 977.8944 24.57673 0.000000       0.000000 
1 1 1 12 0  4  o 676.6323 26.30721 32.63486       2.510448  32.63486       2.510448  32.63486       2.510448  676.6323 26.30721 676.6323 26.30721 0.000000       0.000000 
1 1 1 12 0  6  o 418.6918 23.44488 12.54916       1.379157  12.54916       1.379157  12.54916       1.379157  418.6918 23.44488 418.6918 23.44488 0.000000       0.000000 
1 1 1 12 0  8  o 1001.317 25.84180 71.28500       3.656453  71.28500       3.656453  71.28500       3.656453  1001.317 25.84180 1001.317 25.84180 0.000000       0.000000 
1 1 1 12 0  10 o 1045.255 26.07862 77.64429       3.852259  77.64429       3.852259  77.64429       3.852259  1045.255 26.07862 1045.255 26.07862 0.000000       0.000000 
1 1 1 12 0  12 f 2109.508 22.32052 315.4402       6.661865  315.4402       6.661865  315.4402       6.661865  2109.508 22.32052 2109.508 22.32052 0.000000       0.000000 
1 1 1 12 0  14 f 2141.272 26.72089 325.1548       8.094502  325.1548       8.094502  325.1548       8.094502  2141.272 26.72089 2141.272 26.72089 0.000000       0.000000 
1 1 1 12 0  16 o 3683.447 38.80762 964.0134       20.22473  964.0134       20.22473  964.0134       20.22473  3683.447 38.80762 3683.447 38.80762 0.000000       0.000000 
1 1 1 12 0  18 o 361.9790 37.76537 9.611465       1.882009  9.611465       1.882009  9.611465       1.882009  361.9790 37.76537 361.9790 37.76537 0.000000       0.000000 
1 1 1 12 0  20 o 774.4564 26.34238 42.70889       2.879587  42.70889       2.879587  42.70889       2.879587  774.4564 26.34238 774.4564 26.34238 0.000000       0.000000 
1 1 1 12 0  22 o 803.3981 27.96536 46.01223       3.170844  46.01223       3.170844  46.01223       3.170844  803.3981 27.96536 803.3981 27.96536 0.000000       0.000000 
1 1 1 12 0  24 o 552.8268 49.58592 22.47070       3.804193  22.47070       3.804193  22.47070       3.804193  552.8268 49.58592 552.8268 49.58592 0.000000       0.000000 
1 1 1 12 0  26 o 731.5459 41.77963 38.85575       4.292861  38.85575       4.292861  38.85575       4.292861  731.5459 41.77963 731.5459 41.77963 0.000000       0.000000 
1 1 1 12 0  28 o 718.2808 44.51685 37.83842       4.484934  37.83842       4.484934  37.83842       4.484934  718.2808 44.51685 718.2808 44.51685 0.000000       0.000000 
1 1 1 12 0  30 o 133.4707 83.51899 1.311463       3.248482  1.311463       3.248482  1.311463       3.248482  133.4707 83.51899 133.4707 83.51899 0.000000       0.000000 
1 1 1 12 0  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 0  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 1  1  o 1010.193 17.25027 72.38228       2.466154  72.48170       3.476231  72.28154       3.499220  1009.701 24.32742 1008.268 24.52311 1.433472       34.54282 
1 1 1 12 1  3  o 559.3318 27.81752 22.33249       2.195042  18.05746       2.919495  27.89163       3.329220  499.9526 41.64055 623.0353 37.93792 -123.0826      56.33136 
1 1 1 12 1  5  f 559.6989 27.65941 22.36120       2.184086  22.59922       2.998918  22.09234       3.187200  560.5245 38.03028 553.4494 40.98303 7.075073       55.90985 
1 1 1 12 1  7  o 374.7070 20.79782 10.00172       1.098556  8.616316       1.524019  11.50012       1.584958  346.1206 31.45634 400.8405 28.11836 -54.71985      42.19175 
1 1 1 12 1  9  o 693.8996 22.66610 34.24450       2.222850  35.79995       2.837933  31.77549       3.575499  708.4954 28.36115 665.2697 38.13666 43.22571       47.52641 
1 1 1 12 1  11 o 2143.136 18.36029 325.7079       5.568640  319.2787       7.747158  332.5807       8.009905  2119.641 25.82619 2163.224 26.16412 -43.58276      36.76348 
1 1 1 12 1  13 o 505.0762 17.79763 18.10308       1.270163  16.90532       1.873822  19.12124       1.727635  487.0885 27.29236 518.5510 23.60374 -31.46252      36.08337 
1 1 1 12 1  15 o 694.7062 17.60482 34.22271       1.729429  33.32532       2.361675  35.26039       2.539565  684.8575 24.40591 704.3524 25.51925 -19.49493      35.31120 
1 1 1 12 1  17 o 914.0318 16.86305 59.21260       2.181310  59.71349       3.092652  58.71674       3.077083  916.8420 23.85535 909.1405 23.93682 7.701538       33.79421 
1 1 1 12 1  19 o 453.2976 23.34816 14.63773       1.492760  13.98639       2.072089  15.34051       2.152363  441.5026 33.41112 462.5519 33.09902 -21.04929      47.03028 
1 1 1 12 1  21 o 519.1945 23.38678 19.20597       1.713973  18.91352       2.415648  19.50247       2.432285  513.3848 33.43023 521.4124 33.13338 -8.027588      47.06804 
1 1 1 12 1  23 o 755.3966 27.16621 40.75656       2.899453  46.74601       4.278337  35.66910       3.943046  805.7005 37.62554 702.8212 39.80580 102.8793       54.77392 
1 1 1 12 1  25 f 644.5946 32.03557 29.93578       2.913238  27.67296       3.921898  32.72132       4.351371  614.1495 45.44544 667.6135 46.34313 -53.46399      64.90742 
1 1 1 12 1  27 o 437.0750 44.32175 14.24273       2.703666  12.34213       3.763409  16.26990       3.886694  392.0029 70.42633 457.1936 61.63924 -65.19073      93.59094 
1 1 1 12 1  29 o 158.1375 65.76983 0.9733329      2.430156  -3.120362      3.405868  5.218997       3.468509  136.6297 64.90995 246.4626 83.51201 -109.8329      105.7712 
1 1 1 12 1  31 o 651.9595 34.71484 31.63745       3.191443  33.16440       4.487000  30.07405       4.540236  651.9746 48.98843 616.4843 52.54011 35.49030       71.83543 
1 1 1 12 1  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 1  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 2  0  o 79.94464 52.70041 -0.2944907     1.528394  -0.2944907     1.528394  -0.2944907     1.528394  79.94464 52.70041 79.94464 52.70041 0.000000       0.000000 
1 1 1 12 2  2  o 1164.832 17.25414 96.24472       2.844306  95.24974       3.967430  97.29688       4.079838  1157.427 24.22122 1169.699 24.64614 -12.27246      34.55575 
1 1 1 12 2  4  o 1585.471 26.13814 178.8799       5.864795  178.0190       8.184936  179.7884       8.407696  1577.355 36.66621 1584.779 37.48769 -7.423828      52.43794 
1 1 1 12 2  6  o 353.0084 24.65922 8.905642       1.224177  8.457253       1.685268  9.406536       1.781210  342.1585 35.30999 361.0362 35.31240 -18.87766      49.93757 
1 1 1 12 2  8  o 1100.705 14.75570 85.88382       2.298533  90.15235       3.343879  82.06037       3.164745  1126.697 20.97122 1074.974 20.80276 51.72302       29.53890 
1 1 1 12 2  10 o 1325.212 13.98336 124.4412       2.622507  124.5783       4.028414  124.3404       3.454868  1324.690 21.48820 1323.996 18.43847 0.6939697      28.31466 
1 1 1 12 2  12 o 1371.840 15.79063 133.3545       3.065651  135.7213       4.422682  131.1656       4.253251  1382.942 22.59758 1359.618 22.10468 23.32385       31.61119 
1 1 1 12 2  14 o 839.6126 16.42819 49.94776       1.952039  48.35540       2.748510  51.56846       2.772850  825.2173 23.55884 852.2819 23.01022 -27.06458      32.93158 
1 1 1 12 2  16 o 1652.213 18.85320 193.5107       4.408298  189.0516       5.619159  200.6474       7.108855  1632.089 24.32808 1680.114 29.89793 -48.02490      38.54532 
1 1 1 12 2  18 o 1243.436 18.39812 109.6530       3.237553  110.8058       4.216304  107.9967       5.053846  1248.994 23.85348 1231.945 28.98750 17.04846       37.54016 
1 1 1 12 2  20 o 2108.938 19.81746 315.7457       5.914687  312.9482       8.281737  318.6581       8.450064  2096.209 27.91688 2115.093 28.22999 -18.88330      39.70245 
1 1 1 12 2  22 o 367.6467 31.31886 9.725027       1.614009  11.46494       2.378548  8.240154       2.197315  396.6951 43.05748 334.3479 47.79649 62.34726       64.33080 
1 1 1 12 2  24 o 672.5672 30.60561 32.46378       2.905473  31.99423       4.159393  32.91124       4.060318  662.4822 44.62488 672.7006 42.87305 -10.21844      61.88279 
1 1 1 12 2  26 o 744.1261 30.04925 39.92775       3.157954  39.42929       4.411019  40.45187       4.523133  732.5210 42.73554 741.6354 43.28335 -9.114380      60.82578 
1 1 1 12 2  28 o 753.6354 30.87454 41.24935       3.285952  39.73312       4.677731  42.72642       4.616940  728.7093 45.58712 757.8010 43.22995 -29.09167      62.82527 
1 1 1 12 2  30 f 336.3282 56.62183 9.044632       2.599417  9.571630       3.649354  8.501879       3.703505  328.7193 79.35541 305.9391 83.30922 22.78021       115.0552 
1 1 1 12 2  32 o 180.3816 77.07330 1.934980       3.485328  5.548349       5.056800  -1.334862      4.810421  232.5984 95.62560 167.5271 78.84937 65.07132       123.9414 
1 1 1 12 2  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 3  1  o 818.8069 17.41350 47.56028       2.017843  47.53534       2.889493  47.58401       2.819129  817.1255 25.01641 817.6669 24.38958 -0.5414429     34.93812 
1 1 1 12 3  3  o 568.2159 27.49257 23.04236       2.204235  20.56488       3.017692  25.87609       3.227379  534.0731 40.22144 599.9232 38.21182 -65.85016      55.47889 
1 1 1 12 3  5  o 158.3970 51.37709 1.764468       1.316534  3.831088       1.613816  -2.347375      2.276366  225.8126 51.62691 115.4430 54.30584 110.3696       74.92972 
1 1 1 12 3  7  o 889.2631 12.69068 56.03255       1.597111  56.57919       2.273112  55.49960       2.244472  892.9792 17.98704 884.4260 17.93217 8.553223       25.39875 
1 1 1 12 3  9  o 707.8245 13.50406 35.50140       1.352725  34.60018       1.901948  36.42396       1.924333  698.0157 19.27212 716.2246 19.00182 -18.20886      27.06443 
1 1 1 12 3  11 o 259.9868 26.02661 4.850309       0.9447491 4.669702       1.317955  5.041203       1.354968  253.0439 37.97392 263.2205 37.42745 -10.17654      53.31821 
1 1 1 12 3  13 o 1313.419 15.83472 122.2224       2.943293  118.3978       4.108689  126.2538       4.218369  1291.870 22.47318 1334.061 22.34338 -42.19067      31.69023 
1 1 1 12 3  15 o 1147.828 17.95945 93.37386       2.917358  99.82439       4.921736  89.87982       3.622308  1185.263 29.34160 1125.615 22.73922 59.64758       37.12145 
1 1 1 12 3  17 o 2007.330 20.52925 285.8377       5.831921  286.2357       9.156928  285.5661       7.564513  2005.027 32.27081 2004.647 26.66387 0.3791504      41.86129 
1 1 1 12 3  19 o 366.3343 27.53425 9.604906       1.417035  6.895406       1.948207  12.64858       2.064857  306.3449 46.38716 419.3615 35.11428 -113.0166      58.17887 
1 1 1 12 3  21 o 725.6439 20.10064 37.42546       2.062218  40.21360       2.946185  34.74724       2.887533  750.7148 27.77889 697.4160 29.32143 53.29877       40.39076 
1 1 1 12 3  23 o 1010.167 21.57492 72.58875       3.084340  70.34039       3.903942  76.32309       5.031286  992.2888 27.82751 1031.042 34.52994 -38.75354      44.34735 
1 1 1 12 3  25 o 256.8317 66.93488 5.183022       2.457163  5.922191       3.430772  4.404513       3.520886  271.8071 82.20936 242.1126 84.07097 29.69453       117.5853 
1 1 1 12 3  27 o 669.5514 32.16051 32.55582       3.038470  27.63083       4.217309  37.87172       4.381481  606.0611 49.60347 714.8140 43.51818 -108.7529      65.98739 
1 1 1 12 3  29 o 387.8637 48.02460 11.51754       2.579839  9.351850       3.561590  13.90815       3.741978  329.6334 77.63649 413.7292 66.13559 -84.09583      101.9870 
1 1 1 12 3  31 f 440.7896 45.05238 15.04389       2.770921  14.97544       4.044064  15.10446       3.804269  414.7810 71.47334 422.5138 65.76143 -7.732758      97.12365 
1 1 1 12 3  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 3  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 4  0  o 2194.250 31.12324 342.2728       9.660369  342.2728       9.660369  342.2728       9.660369  2194.250 31.12324 2194.250 31.12324 0.000000       0.000000 
1 1 1 12 4  2  o 701.9660 18.17690 34.98738       1.804223  35.73616       2.641398  34.33246       2.470300  708.1057 26.40446 694.2660 25.18397 13.83966       36.48874 
1 1 1 12 4  4  o 1851.005 20.17522 243.2784       5.285009  255.5018       7.724177  232.5188       7.246895  1893.545 28.82417 1806.583 28.34486 86.96228       40.42603 
1 1 1 12 4  6  o 545.9823 18.04015 21.17485       1.392008  21.25418       2.204212  21.12222       1.795310  545.4153 28.65712 544.5969 23.34826 0.8184204      36.96447 
1 1 1 12 4  8  o 1166.827 12.72796 96.46358       2.101768  96.57571       2.966552  96.35056       2.978181  1166.757 17.96601 1165.381 18.05773 1.376099       25.47272 
1 1 1 12 4  10 o 971.8785 12.88855 66.91055       1.772702  64.86673       2.470417  69.07999       2.545215  956.3883 18.25224 986.9633 18.22232 -30.57495      25.79142 
1 1 1 12 4  12 o 481.8171 16.39937 16.46969       1.116595  16.66492       1.584788  16.27724       1.573481  484.0413 23.20253 478.3532 23.31325 5.688080       32.89172 
1 1 1 12 4  14 o 511.8896 22.12603 18.61965       1.599090  17.50913       2.598030  19.29695       2.028951  494.3849 37.41058 520.5308 27.64173 -26.14597      46.51469 
1 1 1 12 4  16 o 688.1759 19.79305 33.60928       1.925664  35.83277       3.188091  32.33211       2.416229  708.9798 31.85574 674.3243 25.36438 34.65552       40.72027 
1 1 1 12 4  18 o 251.9472 36.69687 4.626687       1.270034  5.982173       1.845552  3.407339       1.750421  284.8609 47.44795 213.2800 56.93008 71.58092       74.11034 
1 1 1 12 4  20 o 1157.984 17.61191 95.13757       2.886217  94.57357       4.062838  95.71220       4.100883  1153.016 24.89857 1159.915 24.98223 -6.899414      35.27110 
1 1 1 12 4  22 o 795.3868 29.97649 45.24460       3.368225  45.24460       3.368225  0.000000       0.000000  795.3868 29.97649 ?        ?        ?              ?        
1 1 1 12 4  24 o 718.2527 29.92106 37.01454       3.034744  35.15047       4.278327  38.90224       4.305352  694.4699 43.75359 731.6566 41.75306 -37.18665      60.47888 
1 1 1 12 4  26 o 481.1490 39.35216 16.99853       2.656200  15.20948       3.722851  18.85362       3.790942  444.0313 60.84201 498.8498 54.58812 -54.81845      81.74113 
1 1 1 12 4  28 o 326.8310 58.61004 8.439981       2.611317  6.432395       3.662118  10.51665       3.724595  271.7728 85.42650 353.6240 76.64120 -81.85117      114.7674 
1 1 1 12 4  30 o 353.5318 53.70876 9.904384       2.602739  6.368488       3.565973  13.93559       3.807549  262.9985 84.49089 407.9606 68.36546 -144.9621      108.6855 
1 1 1 12 4  32 o 176.9749 76.39359 1.717058       3.490433  4.068626       4.921911  -0.6620526     4.950650  214.3365 91.58609 173.2088 81.03350 41.12767       122.2883 
1 1 1 12 4  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 5  1  f 1032.699 12.97750 75.57167       1.896639  74.36075       2.507055  77.19213       2.900192  1023.822 17.30293 1042.748 19.65295 -18.92535      26.18453 
1 1 1 12 5  3  o 1134.412 12.38605 91.18076       1.988491  96.77073       2.913931  86.30886       2.720342  1167.881 17.63035 1102.979 17.42755 64.90125       24.79009 
1 1 1 12 5  5  o 770.2166 14.87394 42.05720       1.621282  43.35922       2.294702  40.75940       2.290982  781.0704 20.77792 757.1729 21.40143 23.89746       29.82856 
1 1 1 12 5  7  f 860.7531 12.82193 52.49662       1.561895  51.67400       2.179335  53.36537       2.239604  853.4202 18.04435 867.2484 18.24770 -13.82819      25.66276 
1 1 1 12 5  9  o 683.9825 13.61495 33.14742       1.317895  33.49566       1.880102  32.81102       1.847885  686.8353 19.36166 679.7904 19.22722 7.044861       27.28662 
1 1 1 12 5  11 o 966.9202 13.08961 66.22138       1.791171  67.81045       2.570396  64.72131       2.497378  977.9658 18.57191 955.4407 18.46974 22.52509       26.19250 
1 1 1 12 5  13 o 906.5688 13.41436 58.20752       1.721038  61.41333       2.523611  55.42016       2.353150  930.7675 19.15849 884.2157 18.80492 46.55176       26.84535 
1 1 1 12 5  15 o 1066.488 18.02846 80.61518       2.721038  82.66309       4.419186  79.36465       3.453291  1078.161 28.98900 1057.630 23.07170 20.53088       37.04950 
1 1 1 12 5  17 o 682.5295 20.45425 33.08121       1.973488  35.32139       3.317885  31.85474       2.454980  703.2285 33.43418 669.0107 25.97894 34.21777       42.34087 
1 1 1 12 5  19 o 472.6333 23.58595 15.91762       1.572617  16.93522       2.170801  14.79373       2.281347  486.2062 31.72179 453.4895 35.83825 32.71664       47.86076 
1 1 1 12 5  21 o 406.8766 30.75548 11.88581       1.757831  9.904692       2.645499  13.45195       2.352170  365.8948 52.59928 431.2085 38.96443 -65.31363      65.45924 
1 1 1 12 5  23 o 485.3501 31.53959 16.93851       2.154629  16.77861       2.729908  17.20268       3.508888  480.5744 40.51612 482.6075 52.20555 -2.033112      66.08310 
1 1 1 12 5  25 o 514.2738 35.95218 19.22495       2.600132  25.08105       3.824323  14.19094       3.545743  582.6270 46.77411 431.2667 59.69417 151.3603       75.83674 
1 1 1 12 5  27 o 359.7477 51.22942 9.899418       2.534561  11.33414       3.567026  8.436383       3.602051  374.1936 69.92872 315.4273 80.44988 58.76630       106.5937 
1 1 1 12 5  29 o 320.3130 57.34383 8.182533       2.503992  7.904819       3.550574  8.457326       3.531858  298.3221 81.70863 310.1104 79.96165 -11.78821      114.3248 
1 1 1 12 5  31 o 215.0738 81.66399 4.151937       3.426679  2.216915       4.944715  5.939878       4.753076  200.2174 88.55052 241.7975 94.98976 -41.58018      129.8624 
1 1 1 12 5  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 5  35 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 6  0  o 1564.569 21.49065 173.6568       4.756410  173.6568       4.756410  173.6568       4.756410  1564.569 21.49065 1564.569 21.49065 0.000000       0.000000 
1 1 1 12 6  2  o 517.6631 16.07654 19.02268       1.176340  18.32115       1.754258  19.59586       1.585679  506.9366 24.52508 524.7729 21.39616 -17.83630      32.54650 
1 1 1 12 6  4  o 486.4751 17.72001 16.81347       1.217918  18.58359       1.744445  15.13009       1.701163  510.6165 24.20924 460.3112 26.22254 50.30533       35.68906 
1 1 1 12 6  6  o 463.1403 18.62879 15.24608       1.218513  18.05218       1.767734  12.70574       1.681939  503.1930 24.90083 421.4072 28.36784 81.78577       37.74633 
1 1 1 12 6  8  o 1038.963 12.82154 76.47414       1.885212  76.31794       2.657755  76.63233       2.674508  1037.280 18.10504 1039.403 18.18193 -2.123657      25.65882 
1 1 1 12 6  10 o 416.6339 17.65183 12.32791       1.038434  12.34550       1.451297  12.30946       1.486470  416.1987 24.75150 415.5096 25.40010 0.6891174      35.46550 
1 1 1 12 6  12 o 83.00245 36.94466 -0.3385183     0.8744951 -0.7340837     1.244373  0.4746757E-01  1.229213  94.45558 42.87563 108.8032 46.10382 -14.34766      62.95937 
1 1 1 12 6  14 f 822.6919 15.17296 47.94686       1.766556  49.20815       2.714757  47.02053       2.326513  832.5034 23.06449 814.3483 20.18718 18.15509       30.65114 
1 1 1 12 6  16 o 1201.769 18.47702 102.4037       3.142480  102.8194       5.068264  102.1441       4.005315  1202.253 29.78816 1199.476 23.59530 2.777222       38.00096 
1 1 1 12 6  18 o 484.9431 25.31066 16.76806       1.731045  16.69136       2.844276  16.81319       2.181607  480.5943 42.24853 484.5022 31.99624 -3.907959      52.99715 
1 1 1 12 6  20 o 774.5005 19.75173 42.62376       2.163177  43.87590       3.025325  41.31393       3.094229  784.3204 27.29740 760.7080 28.79382 23.61243       39.67659 
1 1 1 12 6  22 o 483.2346 30.09198 16.75183       2.047708  17.72489       2.620148  15.22486       3.282237  495.2536 37.66585 454.4252 51.97094 40.82837       64.18485 
1 1 1 12 6  24 o 919.6512 23.07534 60.36539       3.000875  60.44162       3.797990  60.23872       4.895794  917.8317 29.27702 912.0014 38.01554 5.830261       47.98256 
1 1 1 12 6  26 o 509.5380 42.25918 19.21262       3.019930  19.17908       3.733926  19.27605       5.134981  502.7520 53.29029 487.2141 77.03094 15.53796       93.66760 
1 1 1 12 6  28 o 161.6640 65.98507 1.223461       2.386022  1.878548       3.280752  0.4878972      3.476434  188.0413 77.13440 172.9945 75.44417 15.04683       107.8960 
1 1 1 12 6  30 o 107.0896 51.75084 -3.086926      2.379080  2.235788       3.497638  -7.670012      3.245541  190.2590 78.99733 104.4111 52.24765 85.84786       94.71217 
1 1 1 12 6  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 6  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 7  1  o 840.8201 12.47457 50.09403       1.484391  53.44505       2.147907  47.03036       2.053750  867.9199 17.48703 814.1276 17.82524 53.79224       24.97069 
1 1 1 12 7  3  o 400.3092 18.46618 11.39662       1.043328  12.98517       1.619439  10.26941       1.364162  426.1997 26.98782 379.0382 25.58081 47.16147       37.18494 
1 1 1 12 7  5  f 1019.814 14.55084 73.72131       2.100046  74.99058       2.988641  72.48336       2.951535  1027.661 20.54963 1010.320 20.64284 17.34137       29.12755 
1 1 1 12 7  7  f 127.5338 41.43264 1.128162       0.8560132 2.519731       1.189978  -0.3641591     1.232303  183.7126 45.90373 100.2567 44.27938 83.45598       63.77943 
1 1 1 12 7  9  o 504.5166 15.86270 18.05723       1.131182  18.44733       1.623000  17.68872       1.577438  509.2825 22.57463 498.6991 22.40808 10.58337       31.80779 
1 1 1 12 7  11 o 886.5350 13.53093 55.66788       1.697631  53.30706       2.362660  58.18761       2.440875  867.1004 19.25360 905.9449 19.03812 -38.84448      27.07677 
1 1 1 12 7  13 f 305.2533 25.08135 6.658023       1.073957  8.155027       1.662887  5.586791       1.406672  336.6187 35.43734 277.7119 36.68795 58.90677       51.00795 
1 1 1 12 7  15 o 189.6720 39.59304 2.662391       1.028393  1.770996       1.608884  3.278187       1.337236  164.4524 56.84481 209.9689 46.25351 -45.51656      73.28519 
1 1 1 12 7  17 o 1329.318 18.91901 125.3653       3.559157  126.3896       5.673151  124.7005       4.570508  1332.093 30.09332 1324.652 24.38051 7.440063       38.73006 
1 1 1 12 7  19 o 149.0496 54.53522 1.322880       1.500620  3.664688       2.429584  -0.1214908     1.908076  222.9035 69.51065 131.0051 56.51599 91.89839       89.58676 
1 1 1 12 7  21 o 773.7227 24.57825 42.66870       2.687848  43.69936       3.140620  39.84715       5.196412  782.0727 28.42310 739.3289 49.95784 42.74377       57.47746 
1 1 1 12 7  23 f 606.8265 27.56297 26.37767       2.360886  23.77670       2.929805  31.19407       3.986871  573.4846 36.28520 654.3672 43.29520 -80.88257      56.48973 
1 1 1 12 7  25 o 836.4690 26.52365 50.24631       3.135838  51.39160       4.245385  48.87115       4.651936  840.9554 35.75333 817.1082 40.35339 23.84729       53.91378 
1 1 1 12 7  27 o 140.6259 61.32660 0.1794745E-02  2.296992  -0.3490449     3.196666  0.3763193      3.302807  158.5295 70.59410 169.4069 73.71261 -10.87732      102.0641 
1 1 1 12 7  29 o 310.8367 69.81031 8.199441       2.995660  10.15591       3.778335  4.887887       4.915637  338.2238 80.16721 239.8960 95.84344 98.32780       124.9510 
1 1 1 12 7  31 o 147.2695 66.75826 -0.2254800     3.004287  -1.826504      4.348822  1.236150       4.155195  157.2077 74.28992 180.0452 80.31009 -22.83754      109.4016 
1 1 1 12 7  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 8  0  o 66.54894 44.35096 -0.3506579     1.131865  -0.3506579     1.131865  -0.3506579     1.131865  66.54894 44.35096 66.54894 44.35096 0.000000       0.000000 
1 1 1 12 8  2  o 117.3883 42.05824 0.8435202      0.8864884 1.399519       1.183879  0.1338700      1.337497  144.0802 48.79028 114.7370 48.32780 29.34324       68.67363 
1 1 1 12 8  4  o 291.6223 22.21938 6.076526       0.9101029 5.642664       1.277301  6.523933       1.297087  279.2726 32.95179 300.9278 30.89529 -21.65518      45.17012 
1 1 1 12 8  6  o 529.4923 17.55712 19.90561       1.313808  19.75222       1.826113  20.07020       1.891628  526.5952 24.57140 530.7276 25.25762 -4.132385      35.23778 
1 1 1 12 8  8  o 1419.679 13.34560 142.7782       2.681316  142.8165       3.791915  142.7400       3.791992  1419.064 18.88151 1418.684 18.88696 0.3807373      26.70634 
1 1 1 12 8  10 o 775.9904 13.63017 42.65231       1.496848  40.16261       2.072416  45.36766       2.164296  752.3542 19.48051 799.9183 19.11839 -47.56409      27.29474 
1 1 1 12 8  12 o 392.5110 19.62649 10.94979       1.086762  9.484813       1.504441  12.54846       1.571584  364.1562 29.44313 419.5393 26.60652 -55.38315      39.68381 
1 1 1 12 8  14 o 776.7180 15.31172 42.74307       1.683089  40.66089       2.538951  44.37540       2.248011  756.5230 23.74381 790.7948 20.10329 -34.27179      31.11127 
1 1 1 12 8  16 o 385.4591 25.57876 10.60634       1.387439  9.149921       1.938680  12.13544       1.986462  355.6543 39.16511 411.0520 34.46491 -55.39777      52.17026 
1 1 1 12 8  18 o 721.9684 21.26807 37.05687       2.170663  39.32471       3.443331  35.56129       2.796262  741.3619 32.90121 706.0072 28.04230 35.35474       43.23032 
1 1 1 12 8  20 o 633.1533 24.21990 28.57173       2.166204  28.38266       3.384669  28.70291       2.819217  627.6938 38.28415 633.0267 31.56888 -5.332947      49.62127 
1 1 1 12 8  22 o 820.6475 22.98816 48.00260       2.667181  46.49835       3.277414  50.95249       4.589601  806.0177 28.77825 839.9805 38.71286 -33.96283      48.23768 
1 1 1 12 8  24 o 852.8596 23.70243 52.01222       2.858044  52.33376       3.629173  51.48718       4.637499  852.7660 30.11900 841.0496 39.06885 11.71637       49.33081 
1 1 1 12 8  26 o 643.9216 32.33697 30.16269       2.937379  31.99281       4.211396  28.42892       4.099044  654.4290 45.76032 615.5506 47.41954 38.87842       65.89855 
1 1 1 12 8  28 o 140.2541 61.16365 0.9326311E-01  2.284736  -0.4333790     3.095636  0.7233612      3.386072  153.2912 68.77750 172.8138 74.91959 -19.52261      101.7020 
1 1 1 12 8  30 o 368.5107 70.55574 11.88058       3.545651  8.620060       5.026520  15.10961       5.002185  280.4048 100.1857 390.6302 92.01093 -110.2254      136.0264 
1 1 1 12 8  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 8  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 9  1  o 529.3344 15.08210 19.87948       1.128674  18.64187       1.597235  21.11385       1.595140  511.7844 22.10484 544.9034 20.72295 -33.11905      30.29958 
1 1 1 12 9  3  o 533.1785 15.27507 20.16905       1.151404  21.69017       1.695160  18.86620       1.568830  552.2039 21.73404 514.9650 21.57453 37.23883       30.62399 
1 1 1 12 9  5  o 374.6794 21.69045 10.00039       1.145217  11.22636       1.664168  8.897541       1.578396  395.9296 29.92168 351.8768 32.04736 44.05276       43.84450 
1 1 1 12 9  7  o 330.1535 22.86352 7.775187       1.061666  7.216411       1.587332  8.227484       1.428104  316.0398 36.13902 338.7049 30.10668 -22.66510      47.03659 
1 1 1 12 9  9  o 639.7660 14.39584 28.99548       1.303400  28.17266       1.817129  29.86744       1.870607  629.9305 20.41019 648.6210 20.40385 -18.69043      28.85988 
1 1 1 12 9  11 o 341.8997 21.00461 8.321154       1.011420  7.227202       1.413132  9.470143       1.448244  317.1921 31.91372 364.0035 28.33668 -46.81140      42.67848 
1 1 1 12 9  13 o 1267.036 14.66936 113.7275       2.630389  110.7054       3.965544  116.1018       3.514948  1249.132 22.43234 1279.645 19.40929 -30.51245      29.66362 
1 1 1 12 9  15 o 641.2205 16.88719 29.16871       1.531110  25.59785       2.268612  32.15595       2.074958  599.4549 26.80922 672.7148 21.82396 -73.25989      34.56905 
1 1 1 12 9  17 o 251.9337 37.92701 4.642042       1.310346  7.361606       1.846837  1.885221       1.859444  317.5792 42.13024 171.6219 60.97556 145.9573       74.11461 
1 1 1 12 9  19 o 509.4027 27.25789 18.54393       1.957893  15.57059       3.015538  20.71077       2.574279  462.0749 46.75672 536.9928 34.04942 -74.91791      57.84076 
1 1 1 12 9  21 f 266.7206 56.71727 5.403105       2.074930  9.092758       2.949826  1.789658       2.919204  346.0594 62.53271 189.6223 74.45771 156.4371       97.23318 
1 1 1 12 9  23 o 235.2038 56.86837 4.266459       1.871903  4.728003       2.383443  3.523499       3.023993  245.7770 66.79366 221.1402 77.83408 24.63684       102.5648 
1 1 1 12 9  25 o 293.2592 53.75671 6.648260       2.148832  5.937811       2.762982  7.735741       3.418396  269.5770 71.32784 304.3089 78.76962 -34.73187      106.2653 
1 1 1 12 9  27 o 436.0393 41.79545 14.24892       2.547599  17.70308       3.662016  11.00932       3.546460  476.9884 55.27090 364.1028 71.37843 112.8856       90.27599 
1 1 1 12 9  29 o 310.2027 66.60899 8.174523       2.836773  4.998473       4.949897  9.727839       3.461645  236.6245 95.60491 331.4558 75.49083 -94.83131      121.8161 
1 1 1 12 9  31 o 125.5060 60.07050 -2.564702      3.031777  -0.6691311     4.551297  -4.076809      4.064962  166.5011 77.83051 136.6557 66.41571 29.84535       102.3163 
1 1 1 12 9  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 10 0  o 410.5665 24.80377 12.08492       1.429021  12.08492       1.429021  12.08492       1.429021  410.5665 24.80377 410.5665 24.80377 0.000000       0.000000 
1 1 1 12 10 2  o 501.6313 15.42890 17.85361       1.094014  15.91039       1.541122  19.82763       1.553288  472.6985 23.10740 528.1000 20.82420 -55.40149      31.10625 
1 1 1 12 10 4  o 250.7895 26.04938 4.518637       0.9110889 4.463288       1.270674  4.577199       1.307044  247.2534 37.48803 250.3345 38.09317 -3.081100      53.44569 
1 1 1 12 10 6  o 1079.259 16.23000 82.55614       2.478928  83.51955       3.211950  81.13693       3.898381  1084.954 20.91885 1068.617 25.77759 16.33643       33.19763 
1 1 1 12 10 8  o 1399.288 14.35574 138.7079       2.842840  140.5534       4.341824  137.3231       3.761170  1407.514 21.79715 1391.672 19.09705 15.84192       28.97952 
1 1 1 12 10 10 o 241.7115 28.62134 4.208872       0.9600791 4.042729       1.306903  4.403651       1.415050  234.7176 40.82559 244.9322 42.35514 -10.21463      58.82760 
1 1 1 12 10 12 o 1196.504 14.48910 101.4155       2.453441  107.3117       3.863634  97.43140       3.175954  1229.869 22.19818 1172.278 19.14361 57.59082       29.31275 
1 1 1 12 10 14 o 769.1759 15.67992 41.93072       1.706827  44.50104       2.701816  40.22369       2.201829  791.1721 24.15874 752.6310 20.69159 38.54114       31.80859 
1 1 1 12 10 16 o 525.2504 21.34555 19.62611       1.583390  17.71091       2.168005  21.81553       2.318017  497.4233 30.95076 552.4825 29.75664 -55.05914      42.93491 
1 1 1 12 10 18 o 800.1334 18.86113 45.45317       2.135747  40.94014       2.849608  51.23759       3.226119  757.6647 26.61727 847.6387 26.92782 -89.97406      37.86273 
1 1 1 12 10 20 f 1067.927 20.71600 81.08722       3.130887  74.32915       4.786145  86.14231       4.139417  1018.106 33.26262 1099.006 26.61456 -80.90051      42.59973 
1 1 1 12 10 22 o 158.3052 63.21036 1.089469       2.136898  0.6200014      3.099439  1.514798       2.950144  173.8638 73.41833 184.1622 74.01920 -10.29837      104.2549 
1 1 1 12 10 24 o 1025.618 22.08048 75.19126       3.204895  74.92079       4.043300  75.64841       5.256639  1020.263 28.02951 1019.259 36.50108 1.004395       46.02154 
1 1 1 12 10 26 o 412.5405 37.36879 12.59381       2.158062  13.08991       2.739167  11.78192       3.504128  415.2578 47.46163 381.1973 67.42068 34.06049       82.45093 
1 1 1 12 10 28 o 144.3327 61.79755 0.4926563      2.249066  -1.714837      3.275114  2.462665       3.093932  143.1466 66.61644 190.8836 76.11224 -47.73700      101.1475 
1 1 1 12 10 30 o 426.2306 63.33985 15.57536       3.704708  10.90197       5.024426  21.14320       5.484213  307.4525 100.4140 465.0486 86.51215 -157.5960      132.5418 
1 1 1 12 10 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 10 34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 11 1  o 495.2832 15.95134 17.40545       1.116616  16.63419       1.573187  18.18847       1.585149  483.4433 23.06051 505.6766 22.20432 -22.23334      32.01279 
1 1 1 12 11 3  o 685.1659 13.95488 33.26020       1.353136  34.20812       1.915780  32.31653       1.911475  694.1735 19.52042 674.6326 20.04303 19.54089       27.97802 
1 1 1 12 11 5  o 768.7666 15.49529 41.87962       1.685831  41.82370       2.352189  41.93869       2.417399  767.4225 21.67970 768.4037 22.25342 -0.9812622     31.06806 
1 1 1 12 11 7  o 507.7874 16.39782 18.29149       1.176842  16.53442       1.619487  20.25748       1.713064  482.0549 23.81264 533.8129 22.72792 -51.75803      32.91808 
1 1 1 12 11 9  o 949.6744 13.40201 63.87725       1.801211  62.63401       2.516567  65.18313       2.579181  939.9505 18.91837 958.8788 19.00633 -18.92834      26.81689 
1 1 1 12 11 11 o 254.5851 29.44923 4.668289       1.041486  4.536541       1.558935  4.774492       1.399671  247.9251 46.12839 255.6792 39.99162 -7.754135      61.05046 
1 1 1 12 11 13 o 431.1667 20.42513 13.21946       1.242777  12.54352       1.883097  13.74104       1.654176  418.4459 32.04277 438.8535 26.76160 -20.40753      41.74832 
1 1 1 12 11 15 o 411.4128 21.40011 12.05296       1.241704  10.58581       1.887589  13.17216       1.648636  383.3253 35.18750 429.3263 27.27525 -46.00104      44.52077 
1 1 1 12 11 17 o 341.9568 29.45270 8.401152       1.411457  7.831065       1.963732  9.010440       2.030127  327.0974 43.49872 351.7027 41.59138 -24.60535      60.18290 
1 1 1 12 11 19 o 126.2800 51.94885 0.4143389      1.493605  0.5443676      2.007717  0.2531924      2.235081  145.4358 60.06947 147.1245 62.24724 -1.688751      86.50468 
1 1 1 12 11 21 o 577.1684 32.05037 23.97381       2.607633  26.44168       3.704643  21.55045       3.671088  601.9734 43.78534 541.2841 48.43497 60.68927       65.29243 
1 1 1 12 11 23 o 302.5761 55.36171 7.037372       2.283298  10.76456       3.422944  4.049326       3.064802  369.4825 67.96524 229.6994 78.49049 139.7830       103.8269 
1 1 1 12 11 25 o 251.0932 57.63654 5.012981       2.004699  4.114973       2.464609  6.768741       3.446202  224.9939 69.98601 280.5608 81.79249 -55.56682      107.6478 
1 1 1 12 11 27 o 318.0140 55.92221 8.057603       2.424974  9.687010       3.463560  6.490875       3.396291  335.4732 74.85532 269.1281 81.87779 66.34506       110.9382 
1 1 1 12 11 29 o 124.7825 59.48634 -2.509861      2.910848  -1.581542      4.172628  -3.389907      4.062694  157.6179 73.94929 143.1898 68.79789 14.42804       101.0032 
1 1 1 12 11 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 11 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 12 0  f 721.5323 22.73526 37.00587       2.316313  37.00587       2.316313  37.00587       2.316313  721.5323 22.73526 721.5323 22.73526 0.000000       0.000000 
1 1 1 12 12 2  o 520.2427 16.11916 19.19964       1.185342  21.53915       1.691005  16.93964       1.662026  550.5140 21.74763 487.8354 24.14886 62.67859       32.49811 
1 1 1 12 12 4  o 97.67011 40.30767 0.1966549      0.9030057 -1.297643      1.240314  1.882057       1.317240  85.68297 40.23706 162.7750 51.24354 -77.09206      65.15306 
1 1 1 12 12 6  o 614.5046 17.18307 26.78419       1.492860  24.01795       2.037916  29.98763       2.193057  581.0985 24.83817 649.5436 23.89808 -68.44507      34.46814 
1 1 1 12 12 8  o 588.5262 15.50665 24.55691       1.290402  22.95115       1.782752  26.32405       1.870194  568.3464 22.20724 608.7858 21.74205 -40.43939      31.07858 
1 1 1 12 12 10 o 510.5494 18.05148 18.50071       1.302226  18.20179       1.711269  18.91193       2.007174  505.8125 23.97434 515.1589 27.63223 -9.346436      36.58291 
1 1 1 12 12 12 o 1102.278 14.75286 86.09759       2.301373  85.98879       3.515312  86.17919       3.044492  1100.531 22.57052 1102.212 19.51776 -1.680298      29.83909 
1 1 1 12 12 14 o 403.2634 22.34129 11.58814       1.270036  10.49646       1.926267  12.42764       1.689197  381.5096 36.10688 416.7223 28.82022 -35.21265      46.19862 
1 1 1 12 12 16 o 339.7769 29.67581 8.297166       1.412669  9.641487       2.021719  7.014597       1.974739  364.3704 39.85585 308.4851 46.69172 55.88531       61.38897 
1 1 1 12 12 18 o 315.8308 34.69443 7.231428       1.525219  5.965054       2.081993  8.698246       2.240713  281.5775 54.21399 343.5248 47.34812 -61.94727      71.97917 
1 1 1 12 12 20 f 427.9043 30.19328 13.17421       1.816683  15.21035       2.511795  10.94076       2.630683  457.4697 39.17405 384.2186 49.53167 73.25116       63.15055 
1 1 1 12 12 22 o 537.1309 34.39400 20.92821       2.600726  20.24414       3.680482  21.61043       3.675486  520.9445 50.55714 539.3622 48.67526 -18.41766      70.18052 
1 1 1 12 12 24 o 561.5637 34.57590 23.06291       2.734522  24.00858       4.000274  22.23338       3.746576  562.7088 50.77845 542.3670 49.35132 20.34180       70.80963 
1 1 1 12 12 26 o 262.5251 54.20340 5.482535       1.947058  5.999379       2.482845  4.657011       3.137871  268.5870 65.83806 233.6875 79.42910 34.89946       103.1680 
1 1 1 12 12 28 o 96.78796 47.42900 -3.671471      2.199152  -3.862748      3.205715  -3.501432      3.022506  123.1289 59.63901 121.0933 58.47206 2.035606       83.52122 
1 1 1 12 12 30 o 260.3036 82.18327 6.975120       3.385788  7.659983       4.580466  6.150187       5.027093  255.7770 94.98134 232.3879 95.42065 23.38913       134.6349 
1 1 1 12 12 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 13 1  o 299.2791 23.66072 6.397276       0.9939823 7.949744       1.427245  4.935124       1.385108  332.9142 30.63663 260.2129 38.79669 72.70139       49.43467 
1 1 1 12 13 3  o 764.9011 13.76930 41.44374       1.490517  40.54033       2.085791  42.38652       2.130747  755.8660 19.51505 772.8985 19.49559 -17.03253      27.58469 
1 1 1 12 13 5  o 902.6942 15.33426 57.73310       1.958950  54.42996       2.680705  61.51839       2.869687  875.9388 21.62497 931.2142 21.77535 -55.27539      30.68884 
1 1 1 12 13 7  f 761.5964 14.22119 41.08802       1.532783  38.85506       2.134728  43.46438       2.202211  739.9044 20.40619 782.6492 19.89868 -42.74481      28.50211 
1 1 1 12 13 9  o 770.1369 14.27004 42.01784       1.555296  42.90961       2.196107  41.12051       2.202949  777.5763 19.97333 761.1255 20.47023 16.45081       28.60008 
1 1 1 12 13 11 o 293.5907 27.66907 6.184261       1.136070  8.606633       1.835075  4.678881       1.446627  345.0098 38.22449 252.3938 41.97387 92.61592       56.77075 
1 1 1 12 13 13 o 437.0393 20.99216 13.59489       1.294570  13.55995       2.019578  13.61926       1.686666  434.6010 33.08461 436.5316 27.44077 -1.930573      42.98357 
1 1 1 12 13 15 o 668.0406 17.37374 31.68971       1.641146  32.82260       2.539671  30.87747       2.150448  678.3232 26.50683 658.5285 23.11044 19.79468       35.16681 
1 1 1 12 13 17 o 437.2745 26.26890 13.67759       1.618113  12.26642       2.198416  15.34589       2.390325  411.4819 38.18768 460.9345 36.95290 -49.45255      53.13959 
1 1 1 12 13 19 o 335.6772 35.35672 8.186271       1.654434  5.231597       2.186938  12.13994       2.529773  260.9755 60.40818 406.7563 44.68162 -145.7809      75.13718 
1 1 1 12 13 21 o 189.9991 60.08691 2.706691       1.809204  3.396099       2.307894  1.607611       2.914019  211.4865 67.97464 183.6633 73.65220 27.82324       100.2257 
1 1 1 12 13 23 o 310.2305 55.67821 7.489303       2.354674  7.898837       3.342923  7.086036       3.317250  307.4070 77.01056 290.1565 78.77612 17.25058       110.1649 
1 1 1 12 13 25 o 301.4771 49.44519 7.046366       2.036522  6.549523       2.472383  8.094890       3.591665  282.9754 63.32165 302.8759 81.85994 -19.90051      103.4924 
1 1 1 12 13 27 f 315.9542 45.46591 7.749407       1.974508  8.150086       2.421271  6.953979       3.411502  317.3375 55.95840 273.4690 81.81458 43.86847       99.12098 
1 1 1 12 13 29 o 183.1951 74.90015 2.622994       3.080725  6.669420       4.405756  -1.248455      4.309447  244.0143 92.61117 158.2476 74.52789 85.76675       118.8749 
1 1 1 12 13 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 14 0  f 362.8159 30.13012 9.528401       1.521642  9.528401       1.521642  9.528401       1.521642  362.8159 30.13012 362.8159 30.13012 0.000000       0.000000 
1 1 1 12 14 2  o 97.26109 40.25512 0.1790189      0.9041951 -0.1157912     1.260518  0.4914988      1.297744  106.6437 45.97043 121.8541 49.05201 -15.21039      67.22633 
1 1 1 12 14 4  o 439.6001 18.71522 13.72533       1.161656  13.79235       1.595099  13.64963       1.695120  439.9493 25.73150 437.4388 27.52137 2.510559       37.67673 
1 1 1 12 14 6  f 275.4016 30.14113 5.457822       1.155587  5.596992       1.605260  5.308126       1.664863  276.7719 42.32579 268.7726 45.38411 7.999298       62.05796 
1 1 1 12 14 8  o 195.1403 37.66490 2.808249       1.002492  3.304350       1.393513  2.276088       1.443272  210.5361 47.85802 176.9591 53.27742 33.57698       71.61615 
1 1 1 12 14 10 o 146.5456 45.56404 1.534884       1.044775  1.204902       1.495032  1.849859       1.460638  146.1035 54.26191 163.6815 54.17539 -17.57800      76.67678 
1 1 1 12 14 12 o 272.5518 30.45588 5.361711       1.154678  7.679420       1.804950  3.756068       1.502312  324.8836 40.10770 223.9892 48.77801 100.8944       63.14999 
1 1 1 12 14 14 f 170.3972 49.65060 2.146190       1.270172  2.907414       1.830364  1.439118       1.764059  198.2752 60.06397 158.1730 58.90420 40.10220       84.12720 
1 1 1 12 14 16 o 431.1046 29.30012 13.33190       1.776983  12.06151       2.633103  14.39437       2.408020  405.6378 46.72038 445.8904 38.53826 -40.25256      60.56395 
1 1 1 12 14 18 o 721.2704 20.75651 37.04470       2.116510  38.36487       2.904741  35.55052       3.090260  732.1211 28.08736 703.8035 31.10267 28.31763       41.90795 
1 1 1 12 14 20 o 183.2945 58.60368 2.491474       1.717075  4.074502       2.405367  0.8465726      2.451925  228.8558 68.75217 161.0171 66.43195 67.83868       95.60368 
1 1 1 12 14 22 o 642.1417 26.11920 29.68585       2.368663  29.40557       3.032238  30.12461       3.793921  635.4297 33.84115 638.1777 42.24528 -2.747986      54.12843 
1 1 1 12 14 24 o 445.0518 40.21112 14.78726       2.505365  11.14307       3.504122  18.59833       3.583452  367.1305 69.99747 491.0088 52.37722 -123.8783      87.42436 
1 1 1 12 14 26 o 301.0679 47.58068 7.078974       1.960003  4.303498       2.452735  11.98277       3.260228  223.7946 69.84910 381.6741 62.52083 -157.8795      93.74300 
1 1 1 12 14 28 o 136.7668 59.98919 0.3209188      2.225941  0.1164196      2.586907  0.9041621      4.368778  141.8764 63.32045 177.6564 80.52112 -35.77995      102.4360 
1 1 1 12 14 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 14 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 15 1  o 190.1069 37.67342 2.667087       0.9777287 2.840510       1.397042  2.500599       1.368824  195.2913 50.25672 183.8508 50.88247 11.44054       71.51758 
1 1 1 12 15 3  o 127.3213 43.91779 1.052757       0.9601467 1.142358       1.316496  0.9509409      1.403369  139.8201 51.09244 137.0573 52.20909 2.762848       73.04948 
1 1 1 12 15 5  o 509.1689 19.79651 18.41616       1.423777  19.69890       2.009060  17.12196       2.018020  525.7642 27.09251 489.7732 29.24781 35.99106       39.86776 
1 1 1 12 15 7  o 260.6104 28.93758 4.891031       1.049298  4.946736       1.424231  4.824896       1.551830  260.1121 39.96682 255.9043 44.46224 4.207779       59.78493 
1 1 1 12 15 9  o 383.8868 21.83225 10.49894       1.181211  11.28308       1.657908  9.690554       1.683350  396.9024 29.73203 367.1588 32.73980 29.74362       44.22542 
1 1 1 12 15 11 o 826.4481 15.54049 48.43364       1.817607  49.56190       2.803032  47.61502       2.387621  834.4983 23.75883 818.5134 20.62843 15.98492       31.46449 
1 1 1 12 15 13 o 400.1603 23.79135 11.43345       1.341244  14.19030       2.081094  9.474781       1.754149  444.1798 33.35002 362.1939 34.64372 81.98590       48.08754 
1 1 1 12 15 15 o 845.2576 16.50672 50.70705       1.974557  51.80840       3.024905  49.88933       2.606472  852.3550 25.10411 837.1550 22.01936 15.19995       33.39264 
1 1 1 12 15 17 o 106.5389 48.09703 -0.7406248     1.540566  -0.6387603     2.122056  -0.8541386     2.240112  129.4536 57.58972 130.4327 58.51534 -0.9790955     82.10129 
1 1 1 12 15 19 o 262.4813 47.70296 5.196980       1.706748  4.079532       2.318568  6.518707       2.521605  228.9067 67.18845 289.1440 63.37573 -60.23732      92.36217 
1 1 1 12 15 21 o 241.1852 57.97147 4.589683       1.954141  6.059991       2.490783  2.235873       3.151500  274.8235 65.05711 195.0672 77.12673 79.75632       100.9007 
1 1 1 12 15 23 f 144.2814 58.25245 0.9644628      1.836166  1.435754       2.299277  0.1347916      3.050699  163.6432 65.49183 159.8968 70.17889 3.746445       95.99091 
1 1 1 12 15 25 f 224.3830 65.19711 4.246905       2.192894  3.164183       3.131714  5.288460       3.071602  202.5243 77.78196 243.6697 78.42844 -41.14542      110.4584 
1 1 1 12 15 27 o 290.4602 48.88271 6.789091       1.938095  6.212236       2.423305  7.813003       3.228536  265.4997 65.02121 286.4117 77.69722 -20.91202      101.3144 
1 1 1 12 15 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 15 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 16 0  o 65.73998 45.15518 -0.9485580     1.363034  -0.9485580     1.363034  -0.9485580     1.363034  65.73998 45.15518 65.73998 45.15518 0.000000       0.000000 
1 1 1 12 16 2  o 375.1096 21.23110 10.01751       1.122468  10.48122       1.551615  9.508409       1.625800  382.7578 28.85695 363.9984 31.88237 18.75940       43.00243 
1 1 1 12 16 4  o 169.4420 45.89540 2.129034       1.127532  3.066958       1.545295  1.061145       1.648885  202.5852 53.22027 146.7776 56.42207 55.80762       77.56190 
1 1 1 12 16 6  o 319.2989 24.67391 7.289289       1.106306  8.543110       1.535323  5.935225       1.595518  344.7421 31.82836 285.1129 40.69607 59.62918       51.66444 
1 1 1 12 16 8  o 266.8310 29.75663 5.136397       1.104572  4.293773       1.530643  6.052038       1.595583  240.2550 46.70016 287.8585 40.26711 -47.60353      61.66315 
1 1 1 12 16 10 o 347.0602 25.09957 8.617268       1.224466  7.099827       1.807781  9.903553       1.664404  311.5203 42.08039 370.9992 32.01335 -59.47891      52.87357 
1 1 1 12 16 12 o 359.4225 26.31236 9.253964       1.329123  7.744284       1.957529  10.54525       1.810408  324.9392 43.67308 382.3759 33.80321 -57.43661      55.22676 
1 1 1 12 16 14 o 371.5980 25.90664 9.892003       1.353866  13.25096       2.091731  7.470338       1.776073  428.4539 34.79630 319.6458 40.14519 108.8081       53.12644 
1 1 1 12 16 16 o 272.0705 42.08899 5.476058       1.568309  5.975981       2.135401  4.890628       2.310817  280.4567 55.76545 251.3868 64.60617 29.06992       85.34484 
1 1 1 12 16 18 o 263.4413 52.34449 5.292801       1.882737  5.607639       2.327039  4.696139       3.203496  268.0669 62.49662 245.5844 80.17764 22.48250       101.6577 
1 1 1 12 16 20 o 261.9125 48.47084 5.248705       1.730467  4.733870       2.323181  5.890362       2.593586  242.6947 65.93880 269.8371 67.96392 -27.14240      94.69435 
1 1 1 12 16 22 f 217.4850 60.11128 3.822458       1.911803  3.097153       2.385696  5.124157       3.196025  199.4086 69.20561 245.0801 80.08862 -45.67149      105.8471 
1 1 1 12 16 24 o 216.0972 60.60530 3.866251       1.928041  1.373375       2.357742  8.898206       3.349765  161.2635 65.67890 318.6100 75.46100 -157.3465      100.0404 
1 1 1 12 16 26 o 147.3190 61.70779 0.9945639      2.161830  0.7347954      3.087020  1.244561       3.028403  160.5790 70.53314 166.1754 71.43908 -5.596436      100.3916 
1 1 1 12 16 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 16 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 17 1  o 125.3839 44.75736 0.9699987      1.002964  2.051979       1.396380  -0.1830422     1.441506  168.9323 52.69977 112.6890 48.86816 56.24328       71.87046 
1 1 1 12 17 3  o 199.4451 37.75393 2.937182       1.026615  3.032640       1.404907  2.827806       1.503843  201.1877 49.65029 194.6206 53.12424 6.567062       72.71407 
1 1 1 12 17 5  o 564.4258 19.15929 22.63757       1.528185  22.59916       2.119889  22.67912       2.204982  562.8382 26.69001 563.6549 27.72726 -0.8167114     38.48581 
1 1 1 12 17 7  o 655.0974 15.92948 30.43738       1.476819  30.69179       2.069106  30.17318       2.108526  656.7289 22.29498 651.0455 22.92059 5.683350       31.97530 
1 1 1 12 17 9  o 253.8582 31.71998 4.674965       1.114777  3.670805       1.521149  5.839952       1.638442  220.8489 49.85500 281.8115 42.39413 -60.96263      65.44299 
1 1 1 12 17 11 o 149.5319 49.20259 1.562702       1.205389  1.333611       1.806586  1.746523       1.618272  156.3766 59.31446 162.6664 56.96290 -6.289764      82.23733 
1 1 1 12 17 13 o 326.7969 28.93286 7.689764       1.324290  3.799680       2.013007  10.65794       1.758372  223.1734 61.68114 384.3457 32.63556 -161.1723      69.78283 
1 1 1 12 17 15 o 148.7612 50.57526 1.518160       1.272199  2.072355       2.058215  1.175516       1.618382  178.0146 64.04803 147.1493 56.06310 30.86531       85.11887 
1 1 1 12 17 17 o 391.1638 32.86667 11.09858       1.802614  10.19837       2.431572  12.19698       2.685926  369.9328 47.54350 404.9246 47.79020 -34.99185      67.41134 
1 1 1 12 17 19 f 584.0792 24.33888 24.50520       2.007426  25.67534       2.678002  23.00440       3.032855  594.7211 31.93548 559.6277 38.52930 35.09344       50.04380 
1 1 1 12 17 21 o 309.1003 43.92738 7.256900       1.867523  7.139407       2.281991  7.495164       3.249644  300.6389 55.68530 295.4092 76.96914 5.229736       95.00053 
1 1 1 12 17 23 o 146.6051 58.62685 1.150542       1.841033  0.1018671      2.274078  3.145110       3.136241  138.9464 60.79793 202.5386 77.82515 -63.59225      98.75800 
1 1 1 12 17 25 o 139.9592 57.19104 0.9932983      1.794919  2.234310       2.201286  -1.468761      3.100543  172.0938 65.42782 138.0857 64.44624 34.00809       91.83745 
1 1 1 12 17 27 o 92.59856 46.74374 -7.846692      2.907902  -6.399413      4.174122  -9.211417      4.053328  124.8000 61.92770 111.7514 56.25681 13.04858       83.66522 
1 1 1 12 17 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 18 0  o 394.6043 30.66621 11.26199       1.688109  11.26199       1.688109  11.26199       1.688109  394.6043 30.66621 394.6043 30.66621 0.000000       0.000000 
1 1 1 12 18 2  o 583.9207 16.90168 24.20968       1.395232  26.44575       1.995309  22.07023       1.951724  609.4135 23.17771 556.3696 24.85036 53.04395       33.98157 
1 1 1 12 18 4  o 398.1141 24.37974 11.32003       1.367001  10.16523       1.842758  12.73317       2.038490  375.2484 35.10759 420.4511 34.56381 -45.20276      49.26662 
1 1 1 12 18 6  o 443.1449 19.99178 13.97934       1.250539  13.19811       1.706779  14.88484       1.837505  429.2593 28.25264 455.9035 28.62420 -26.64413      40.21885 
1 1 1 12 18 8  o 552.3115 18.26572 21.68510       1.425749  21.15400       1.971485  22.26742       2.064345  544.2747 25.66733 558.3403 26.19849 -14.06555      36.67660 
1 1 1 12 18 10 o 600.2014 18.79229 25.61792       1.594267  28.87800       2.388744  22.99939       2.140840  635.7377 26.60928 567.1990 26.74569 68.53864       37.72778 
1 1 1 12 18 12 o 196.7508 45.83589 2.919539       1.252468  3.288130       1.910493  2.641734       1.658608  208.4235 60.93861 188.3830 57.19921 20.04050       83.57789 
1 1 1 12 18 14 o 185.9133 49.68817 2.620808       1.332365  3.509806       2.087880  2.010082       1.730527  214.4382 63.96905 170.7680 58.95798 43.67014       86.99472 
1 1 1 12 18 16 o 187.4115 56.53878 2.665893       1.624189  3.099000       2.162918  2.105890       2.459449  202.8158 65.85788 184.0512 69.34225 18.76468       95.63267 
1 1 1 12 18 18 o 128.1592 53.95128 0.3351416      1.665398  -1.207006      2.246496  2.216733       2.481449  123.9154 56.76732 184.2121 69.59676 -60.29671      89.81224 
1 1 1 12 18 20 o 135.6612 54.76168 0.8232795      1.622353  0.9753884      2.108929  0.6027651      2.539236  150.8677 61.85979 154.6256 65.91887 -3.757843      90.39874 
1 1 1 12 18 22 o 457.3865 31.96594 15.41474       2.056119  16.69166       2.568031  13.13422       3.431901  471.6958 38.81275 400.6663 62.56893 71.02945       73.62949 
1 1 1 12 18 24 o 171.9757 59.56196 2.376199       1.766727  2.097796       2.196198  2.886776       2.974173  169.3254 65.10940 191.3675 75.15172 -22.04211      99.43347 
1 1 1 12 18 26 o 94.34268 45.19704 -1.831768      1.725083  -2.201439      2.114503  -1.096013      2.983095  103.2666 49.62053 134.5379 62.92901 -31.27136      80.13899 
1 1 1 12 18 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 18 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 19 1  o 155.2310 46.68051 1.762676       1.108461  1.393482       1.556827  2.142270       1.578601  151.9294 55.55379 173.3639 56.26077 -21.43456      79.06642 
1 1 1 12 19 3  o 264.0983 30.84375 5.050625       1.131115  5.036899       1.557930  5.065926       1.644887  260.8444 43.75098 260.9995 46.22404 -0.1550903     63.64597 
1 1 1 12 19 5  o 173.8771 49.69579 2.252281       1.283990  2.179508       1.775489  2.332067       1.859064  177.0465 59.75086 182.3290 61.13865 -5.282501      85.48742 
1 1 1 12 19 7  o 151.2775 48.11065 1.638971       1.158463  1.626920       1.565273  1.653567       1.722639  158.1813 55.96961 162.1130 58.55961 -3.931702      81.00510 
1 1 1 12 19 9  o 275.3646 35.02040 5.528607       1.333906  3.445185       1.947827  7.368585       1.830493  213.0915 61.30562 316.7824 41.85376 -103.6909      74.23016 
1 1 1 12 19 11 o 245.4349 39.02575 4.449977       1.310192  2.634537       1.896992  6.105891       1.811729  190.0118 61.67482 286.3296 46.28888 -96.31779      77.11318 
1 1 1 12 19 13 o 99.95596 44.85382 -0.5456563     1.317119  1.885298       2.049171  -2.256986      1.719320  172.9152 63.65153 94.64484 45.28260 78.27038       78.11550 
1 1 1 12 19 15 o 110.1044 47.54590 -0.5514604E-01 1.353046  2.607183       2.104605  -1.930758      1.766490  189.6391 65.03622 99.52329 47.12497 90.11582       80.31483 
1 1 1 12 19 17 f 139.9529 55.34039 0.9664329      1.622662  -1.160255      2.118029  3.988339       2.524762  120.1051 55.05854 222.9298 71.03931 -102.8247      89.87784 
1 1 1 12 19 19 o 223.9539 53.72933 3.997444       1.681057  4.419588       2.159191  3.347739       2.678668  231.7482 63.81562 206.0458 73.18737 25.70236       97.10213 
1 1 1 12 19 21 o 225.4818 55.66656 4.146108       1.765518  3.781484       2.127963  4.951502       3.162615  212.3388 64.85230 236.0025 79.74572 -23.66367      102.7872 
1 1 1 12 19 23 o 104.6731 48.58188 -1.064287      1.723912  -0.7587614     2.115768  -1.667759      2.973531  120.8434 55.25860 133.4845 62.56252 -12.64108      83.47204 
1 1 1 12 19 25 o 128.4555 54.90425 0.5901236      1.769712  1.166916       2.164165  -0.5740246     3.074572  146.3709 61.55301 141.0730 65.26828 5.297928       89.71466 
1 1 1 12 19 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 19 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 20 0  o 107.0395 63.67577 0.9231240      1.687917  0.9231240      1.687917  0.9231240      1.687917  107.0395 63.67577 107.0395 63.67577 0.000000       0.000000 
1 1 1 12 20 2  o 275.0814 31.80112 5.486840       1.215237  3.876265       1.665315  7.321427       1.777360  226.0482 52.98491 316.1913 40.65971 -90.14310      66.78782 
1 1 1 12 20 4  o 366.7217 28.48048 9.664473       1.466520  11.09557       2.054539  8.177915       2.093969  390.9869 37.59343 332.9849 45.63427 58.00201       59.12489 
1 1 1 12 20 6  o 533.3136 19.19955 20.24372       1.446719  19.00080       2.021576  21.54849       2.071270  514.9919 27.84118 548.7756 26.75053 -33.78375      38.60987 
1 1 1 12 20 8  o 137.6212 48.59195 1.226832       1.179314  1.253493       1.631845  1.197684       1.706245  149.4954 56.44790 150.0237 57.46481 -0.5282593     80.55166 
1 1 1 12 20 10 f 153.7169 50.57356 1.676845       1.273512  1.964342       1.907887  1.445811       1.710306  172.5147 61.71343 155.7970 58.00362 16.71774       84.69337 
1 1 1 12 20 12 f 115.7629 48.32448 0.2653247      1.319020  2.581385       2.038535  -1.402651      1.729968  188.9964 64.02321 104.4675 48.54821 84.52891       80.34862 
1 1 1 12 20 14 o 148.5863 52.05204 1.504343       1.351354  -0.3304118     2.091980  2.818169       1.770262  131.2426 57.83999 191.8761 59.25245 -60.63348      82.80288 
1 1 1 12 20 16 o 120.9732 51.87827 0.1126654      1.589651  0.8616583      2.076369  -0.9480741     2.470985  149.0579 61.27762 133.1635 60.43518 15.89447       86.06601 
1 1 1 12 20 18 o 137.8073 54.34971 1.007149       1.561384  1.756214       2.004562  -0.1483906     2.489730  163.8931 62.40596 142.1300 62.84842 21.76311       88.56878 
1 1 1 12 20 20 o 218.2202 52.84571 3.854251       1.614474  3.152705       2.047367  5.007807       2.625349  195.6741 64.11031 239.3032 71.81279 -43.62907      96.26634 
1 1 1 12 20 22 f 179.9586 58.44351 2.685465       1.703292  3.442080       2.013363  0.7807095      3.194510  199.9913 63.40395 163.2147 71.71877 36.77657       95.72692 
1 1 1 12 20 24 o 143.1735 60.59912 1.034355       2.119657  -0.2388725E-01 3.145544  1.914598       2.868826  147.4953 67.41991 167.2150 70.62364 -19.71964      97.63781 
1 1 1 12 20 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 20 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 21 1  o 184.9140 46.82302 2.582956       1.226361  1.827447       1.723275  3.358178       1.745613  166.1826 58.73340 209.9014 57.21095 -43.71883      81.99210 
1 1 1 12 21 3  o 195.1047 45.01901 2.871997       1.217771  1.106781       1.661475  4.921066       1.790083  146.7082 56.57391 255.0801 51.36671 -108.3719      76.41430 
1 1 1 12 21 5  o 127.6399 48.94783 0.8382975      1.238922  1.451085       1.709410  0.1602302      1.798158  156.0860 58.01204 131.0953 55.66460 24.99062       80.39866 
1 1 1 12 21 7  o 146.6953 49.81400 1.481589       1.234149  -0.1987914E-01 1.758034  2.940492       1.732935  126.3555 54.37684 196.9875 58.15778 -70.63201      79.61890 
1 1 1 12 21 9  f 116.9313 48.33344 0.3428195      1.301197  0.1206875      1.930346  0.5278033      1.761556  134.1972 57.34971 136.3950 56.29425 -2.197830      80.36189 
1 1 1 12 21 11 o 122.6193 49.55680 0.5549625      1.330395  3.516228       1.982909  -1.869343      1.794146  212.7203 62.05131 101.2882 47.82005 111.4321       78.33978 
1 1 1 12 21 13 o 115.5741 48.76941 0.2115711      1.366057  0.4341217      2.036187  0.2941591E-01  1.842146  141.2886 59.57685 128.4969 55.48296 12.79172       81.41105 
1 1 1 12 21 15 o 106.5026 46.34563 -0.8620790E-01 1.305861  -2.159714      1.978454  1.514461       1.738297  103.8011 49.35907 154.6326 58.28809 -50.83150      76.37945 
1 1 1 12 21 17 o 176.0879 55.58258 2.440978       1.548788  1.482365       1.936833  4.141041       2.579309  156.2423 60.85318 221.7076 71.91264 -65.46526      94.20477 
1 1 1 12 21 19 o 169.5962 56.10674 2.271426       1.566691  4.117014       2.017063  -0.5352497     2.487415  221.0027 61.99139 135.0501 61.02818 85.95264       86.99064 
1 1 1 12 21 21 o 159.1765 57.75382 1.940237       1.677946  2.205841       1.998573  1.305848       3.088732  168.7469 62.72527 167.5428 72.08854 1.204071       95.55740 
1 1 1 12 21 23 f 207.8346 67.42743 4.094139       2.267527  4.633238       3.325397  3.625647       3.099991  211.1586 80.38417 194.6390 76.63728 16.51958       111.0625 
1 1 1 12 21 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 21 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 22 0  o 68.38342 47.96259 -1.815260      1.762406  -1.815260      1.762406  -1.815260      1.762406  68.38342 47.96259 68.38342 47.96259 0.000000       0.000000 
1 1 1 12 22 2  o 132.9792 50.24832 0.9799885      1.293626  0.7280162      1.808676  1.243887       1.850985  142.0506 57.64682 154.2045 59.64675 -12.15396      82.95113 
1 1 1 12 22 4  o 174.1347 53.21340 2.260667       1.432443  0.9500064      2.006849  3.621975       2.045257  151.8676 61.04575 216.8226 62.95361 -64.95496      87.69116 
1 1 1 12 22 6  o 71.16910 34.97612 -2.462208      1.223394  -4.027443      1.716472  -0.8461021     1.744141  79.82762 39.62889 112.4254 50.92429 -32.59776      64.52699 
1 1 1 12 22 8  o 148.1403 52.81475 1.447152       1.396155  2.753041       2.071179  0.3595801      1.890139  193.0321 64.52938 136.6335 57.49511 56.39856       86.42759 
1 1 1 12 22 10 o 209.6372 47.65898 3.376441       1.381817  1.551437       2.035739  4.935720       1.881707  163.3923 62.72224 252.1310 54.33920 -88.73866      82.98692 
1 1 1 12 22 12 o 157.9587 51.71598 1.848546       1.332367  2.575912       1.962706  1.226873       1.814511  185.0349 62.81979 150.3179 58.79779 34.71707       86.04363 
1 1 1 12 22 14 o 153.9514 51.32787 1.762133       1.310560  2.045260       1.976478  1.539971       1.750797  170.4580 62.55182 154.8440 58.46871 15.61404       85.62313 
1 1 1 12 22 16 f 258.9699 45.06641 5.200908       1.591707  6.474959       2.025903  3.145936       2.572932  285.8083 52.00199 198.6606 71.59299 87.14766       88.48595 
1 1 1 12 22 18 o 142.1221 54.25808 1.306307       1.517820  1.603089       1.903716  0.7884763      2.514647  155.9919 60.44892 152.8930 65.40085 3.098892       89.05809 
1 1 1 12 22 20 f 139.7833 53.72670 1.300031       1.494978  1.028985       1.904038  1.735716       2.414018  141.9483 58.55054 163.5068 66.50822 -21.55853      88.60874 
1 1 1 12 22 22 o 116.1560 54.21862 -1.036001      2.195707  -2.508307      3.168268  0.3246368      3.045751  125.8208 60.53027 148.3288 67.23005 -22.50799      90.46432 
1 1 1 12 22 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 22 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 23 1  o 151.4299 51.43849 1.604213       1.315966  2.051979       1.892120  1.184690       1.831476  173.3173 61.51591 151.6602 59.14455 21.65707       85.33631 
1 1 1 12 23 3  o 180.3294 54.29481 2.464471       1.498893  0.9677582      2.144252  3.894686       2.096077  154.8781 62.79842 223.0421 63.41307 -68.16400      89.24606 
1 1 1 12 23 5  o 216.9517 45.44217 3.582762       1.350449  3.971836       1.919139  3.201152       1.900641  225.1584 59.38556 203.4181 61.11571 21.74033       85.21605 
1 1 1 12 23 7  f 99.38435 44.92234 -0.6231577     1.348752  -1.149630      1.961590  -0.1510712     1.857510  115.4780 52.95553 126.1877 55.08720 -10.70966      76.41261 
1 1 1 12 23 9  o 132.5179 50.76147 0.9813453      1.331428  1.787461       1.946267  0.2722533      1.825387  165.8457 61.84997 131.7483 56.01855 34.09740       83.44757 
1 1 1 12 23 11 o 128.1339 50.56304 0.8165029      1.352074  0.4283770      2.047985  1.116373       1.800144  139.9126 59.40702 146.7095 58.20043 -6.796906      83.16541 
1 1 1 12 23 13 o 110.6454 46.86516 0.2150146      1.269273  0.4082179E-01  1.832293  0.3757218      1.759939  126.1758 54.90249 129.8373 55.09768 -3.661499      77.78199 
1 1 1 12 23 15 f 198.0248 47.35649 3.117574       1.309209  2.157967       1.989602  3.850389       1.738668  170.7747 62.74396 216.6003 56.23234 -45.82565      84.25486 
1 1 1 12 23 17 o 118.4182 51.04450 0.1962297      1.554050  -0.4248137     1.932275  1.333684       2.615020  120.1138 54.07758 162.1500 67.89061 -42.03616      86.79585 
1 1 1 12 23 19 o 112.2932 52.08597 -1.017740      1.976847  -0.4886565     2.977830  -1.434637      2.643333  142.6172 65.34332 125.8706 58.99165 16.74657       88.03274 
1 1 1 12 23 21 f 100.6524 48.52914 -2.214283      2.063199  -3.370943      3.010002  -1.189229      2.833590  115.9952 56.54860 128.6859 60.55215 -12.69063      82.85110 
1 1 1 12 23 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 23 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 24 0  o 186.7597 75.98026 3.593991       1.970063  3.593991       1.970063  3.593991       1.970063  186.7597 75.98026 186.7597 75.98026 0.000000       0.000000 
1 1 1 12 24 2  o 126.6442 50.20973 0.7338058      1.338999  1.589797       1.886580  -0.1351015     1.900761  160.7448 60.69436 127.6231 55.71913 33.12170       82.39191 
1 1 1 12 24 4  o 171.7429 55.23507 2.221491       1.523719  0.5026553      2.118174  4.064799       2.193529  144.3787 60.81573 225.2120 65.13834 -80.83331      89.11542 
1 1 1 12 24 6  o 106.5972 46.34201 -0.8734576E-01 1.303020  -1.480884      1.816690  1.389118       1.869962  105.5681 49.29002 154.9375 59.94592 -49.36945      77.60811 
1 1 1 12 24 8  o 156.6190 51.94241 1.826317       1.342524  1.877889       1.961652  1.780879       1.841289  166.7969 62.11565 162.5753 60.24869 4.221634       86.53472 
1 1 1 12 24 10 o 97.07647 43.87417 -0.5329856     1.286114  -0.9269224     1.853760  -0.1673941     1.785822  112.7557 51.62198 121.4698 53.49021 -8.714012      74.33728 
1 1 1 12 24 12 o 80.89675 38.70550 -1.562163      1.256256  -1.010912      1.910416  -1.982134      1.667487  112.9455 51.96514 93.22532 44.60111 19.72015       68.48091 
1 1 1 12 24 14 o 109.9573 46.51896 0.2626233      1.248146  0.4901939      1.854197  0.7406400E-01  1.687803  132.8708 56.47599 120.8538 52.63860 12.01699       77.20337 
1 1 1 12 24 16 o 102.8656 46.74842 -0.5601143     1.484728  0.2930071E-01  1.897429  -1.490975      2.384500  125.1423 55.12078 119.9032 56.14148 5.239098       78.67761 
1 1 1 12 24 18 o 126.6015 55.52506 0.2343685      1.906559  -1.337800      2.939386  1.376179       2.504978  132.4344 62.11250 156.2965 66.00179 -23.86212      90.63223 
1 1 1 12 24 20 o 133.0872 58.78012 0.4877296      2.171645  -0.5175728     3.126469  1.424924       3.018706  139.0761 64.84427 158.0849 69.58204 -19.00883      95.11277 
1 1 1 12 24 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 24 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 25 1  f 83.33855 39.99448 -1.814428      1.363884  -1.338295      1.941138  -2.278666      1.916739  111.2647 51.61047 100.3424 47.95510 10.92238       70.45091 
1 1 1 12 25 3  o 186.9155 54.90379 2.762936       1.547742  2.766524       2.296954  2.759953       2.094679  190.9039 67.77608 189.0925 64.88158 1.811310       93.82545 
1 1 1 12 25 5  o 124.1330 49.62469 0.7123395      1.318636  2.400936       1.814933  -1.175628      1.919088  177.1782 60.40448 112.0529 51.74403 65.12524       79.53708 
1 1 1 12 25 7  o 209.5636 46.93356 3.453230       1.357268  2.219796       2.010460  4.486157       1.839807  173.7829 63.19391 235.3668 56.04254 -61.58389      84.46441 
1 1 1 12 25 9  o 66.68945 33.20212 -2.983893      1.239996  -5.652938      1.809678  -0.6217236     1.702467  72.72113 36.72954 111.0681 50.31059 -38.34702      62.29137 
1 1 1 12 25 11 o 74.29873 36.13191 -1.941278      1.208082  -1.073172      1.754418  -2.724072      1.665981  106.2908 49.22061 85.90010 41.91935 20.39070       64.65215 
1 1 1 12 25 13 o 129.4910 48.78418 1.092714       1.217276  0.9921976      1.813727  1.175100       1.642028  140.4376 57.45037 140.6573 55.65365 -0.2197571     79.98671 
1 1 1 12 25 15 f 99.39126 45.27784 -0.5571991     1.403286  3.188684       2.856387  -1.748918      1.611117  192.5991 74.20267 92.04668 43.98379 100.5525       86.25896 
1 1 1 12 25 17 o 160.4114 61.22612 2.068949       1.932411  2.340713       3.088313  1.894083       2.477292  174.7217 73.50590 162.2737 66.84478 12.44803       99.35463 
1 1 1 12 25 19 o 123.1920 55.45511 0.5816151E-01  2.031107  4.262294       3.025874  -3.389535      2.740168  198.1967 76.36895 108.3559 53.06533 89.84082       92.99541 
1 1 1 12 25 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 25 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 26 0  o 72.20719 50.39199 -1.613757      1.876919  -1.613757      1.876919  -1.613757      1.876919  72.20719 50.39199 72.20719 50.39199 0.000000       0.000000 
1 1 1 12 26 2  o 120.1846 49.31108 0.5490437      1.341204  -0.5823538E-01 1.853289  1.216825       1.943418  124.6441 54.70288 150.0076 60.15076 -25.36356      81.30510 
1 1 1 12 26 4  o 127.0837 49.94862 0.8716189      1.314767  -0.6521476     1.818103  2.541998       1.903562  114.4818 51.91034 179.5503 61.84196 -65.06856      80.74101 
1 1 1 12 26 6  o 144.8507 52.30523 1.488444       1.374168  4.976490       2.060745  -1.304463      1.844002  244.1270 60.06463 106.7503 49.78140 137.3767       78.01248 
1 1 1 12 26 8  o 116.6243 47.85960 0.5342887      1.263721  1.560604       1.877949  -0.3150739     1.708402  154.5226 59.99458 115.1039 51.40873 39.41866       79.00764 
1 1 1 12 26 10 o 77.91885 37.61969 -1.751784      1.250146  -0.4736329     1.790807  -2.966763      1.745991  114.8153 51.84278 86.44000 42.33792 28.37526       66.93410 
1 1 1 12 26 12 o 88.00956 40.52898 -0.6782840     1.165769  -1.909903      1.679720  0.4662356      1.619236  93.04951 44.58319 124.3746 52.81724 -31.32508      69.11818 
1 1 1 12 26 14 o 137.0858 52.23711 1.312795       1.405168  -1.140040      2.812253  2.128921       1.622180  131.4101 61.34597 161.2422 56.98484 -29.83212      83.72932 
1 1 1 12 26 16 o 110.4661 50.78818 -0.5792524     1.820333  -2.530100      2.913375  0.6701047      2.331460  119.2443 57.53653 139.1737 61.20822 -19.92941      84.00535 
1 1 1 12 26 18 o 113.8760 52.88772 -0.6493140     2.048156  0.8786483      2.994707  -1.992133      2.807416  148.0488 66.92672 118.5852 57.03132 29.46362       87.93041 
1 1 1 12 26 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 26 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 27 1  o 97.30186 44.33320 -0.6087411     1.346035  -2.366682      1.943734  1.011087       1.865817  98.72280 47.47263 142.5642 58.28896 -43.84139      75.17482 
1 1 1 12 27 3  o 114.2207 49.74288 0.4667848E-01  1.506789  -1.168360      2.126612  1.271616       2.135257  116.6834 54.08791 152.7785 62.39747 -36.09513      82.57691 
1 1 1 12 27 5  o 88.13164 41.51125 -1.211858      1.337671  -2.060843      1.973565  -0.4903785     1.819338  102.2643 48.81516 115.5208 52.19899 -13.25651      71.46786 
1 1 1 12 27 7  o 120.0900 49.20266 0.6293011      1.332922  -0.6117322     1.987842  1.643134       1.796691  118.5344 53.95620 153.4503 58.91984 -34.91584      79.89256 
1 1 1 12 27 9  o 124.1394 48.01718 0.9486129      1.199557  0.7548732      1.774472  1.111659       1.627854  133.5747 55.92567 137.6578 55.10134 -4.083084      78.51012 
1 1 1 12 27 11 o 70.34597 34.99360 -3.084280      1.365854  -0.7797799     2.679270  -3.893472      1.587647  132.2593 61.09784 73.38416 36.69495 58.87515       71.27036 
1 1 1 12 27 13 f 128.7782 55.47889 0.5791958      1.833786  1.248038       2.741587  0.3768916E-01  2.466846  154.7361 67.24559 134.5559 60.79290 20.18018       90.65179 
1 1 1 12 27 15 o 151.8923 58.83825 1.919705       1.803110  0.1136243      2.810222  3.183538       2.350806  138.1204 63.35547 179.9741 67.79617 -41.85367      92.79137 
1 1 1 12 27 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 27 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 27 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 28 0  o 88.54188 58.52138 -0.1310203     1.904325  -0.1310203     1.904325  -0.1310203     1.904325  88.54188 58.52138 88.54188 58.52138 -0.000000      0.000000 
1 1 1 12 28 2  o 131.0328 53.46208 0.8722794      1.565569  1.082423       2.219543  0.6642034      2.208595  148.6857 62.41919 141.6757 60.95858 7.010086       87.24738 
1 1 1 12 28 4  o 142.3709 51.54570 1.510095       1.335661  3.383089       1.958858  -0.1173692     1.825956  196.3226 62.57486 119.8585 53.36495 76.46412       82.24007 
1 1 1 12 28 6  o 104.5842 45.56985 0.5242053E-01  1.265971  1.496227       1.880315  -1.144723      1.712179  149.5739 59.43531 102.0472 47.71329 47.52665       76.21755 
1 1 1 12 28 8  o 75.19536 36.57266 -1.886368      1.238818  -2.653370      1.816615  -1.219616      1.693739  90.15760 43.94775 100.0149 46.98402 -9.857330      64.33430 
1 1 1 12 28 10 o 100.3194 45.14934 -0.2726956     1.345522  2.144249       2.729718  -1.048402      1.546440  167.5692 69.70023 96.28297 45.12370 71.28625       83.03174 
1 1 1 12 28 12 o 144.4263 58.29961 1.532980       1.838743  2.583188       2.871410  0.8029807      2.393970  170.8607 71.31044 140.2918 61.84923 30.56889       94.39548 
1 1 1 12 28 14 o 162.4113 60.67835 2.461233       1.874910  2.622464       2.951855  2.352199       2.427451  167.4482 71.21856 161.3560 66.28633 6.092209       97.29317 
1 1 1 12 28 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 28 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 28 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 29 1  o 103.5081 45.96938 -0.1178921     1.346301  -0.4460979     1.893869  0.2174014      1.914209  115.6145 52.64194 125.6644 55.35685 -10.04993      76.39081 
1 1 1 12 29 3  o 116.1659 48.38827 0.5695661      1.318336  -1.308589      1.793404  2.777699       1.944576  101.8454 47.99970 177.1636 62.41041 -75.31822      78.73392 
1 1 1 12 29 5  o 131.0822 50.32467 1.201129       1.310609  4.092614       1.920606  -1.318715      1.792935  211.4447 60.88932 101.3544 47.83692 110.0903       77.43307 
1 1 1 12 29 7  o 97.45131 44.87388 -0.6110693     1.428772  0.6102426      2.791786  -1.044463      1.663068  145.5307 65.30375 99.68620 46.74285 45.84454       80.30862 
1 1 1 12 29 9  o 106.8507 49.45023 -0.6393037     1.766879  2.836314       2.789903  -2.966868      2.283095  173.3468 71.12124 99.53265 48.67955 73.81411       86.18543 
1 1 1 12 29 11 o 200.8105 61.01730 3.966603       1.886954  3.774365       2.641904  4.166799       2.696030  186.0519 71.44457 193.0817 72.63185 -7.029785      101.8809 
1 1 1 12 29 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 29 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 29 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 29 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 30 0  o 74.82035 51.72261 -1.033447      1.858108  -1.033447      1.858108  -1.033447      1.858108  74.82035 51.72261 74.82035 51.72261 0.000000       0.000000 
1 1 1 12 30 2  f 127.3862 51.94128 1.016462       1.476631  2.633662       2.082740  -0.6180353     2.093848  168.5067 63.73887 115.7317 53.65468 52.77496       83.31548 
1 1 1 12 30 4  o 82.42608 40.05178 -1.966391      1.476329  -3.176424      2.616389  -1.401163      1.788198  105.9651 51.88578 98.42050 46.83608 7.544586       69.89816 
1 1 1 12 30 6  o 92.77374 43.21951 -0.7242443     1.384260  -0.7240720     2.616483  -0.7243112     1.631250  124.2012 58.36186 100.7769 46.93753 23.42438       74.89485 
1 1 1 12 30 8  o 136.9682 58.59338 1.220577       2.018682  1.002827       2.738655  1.479645       2.987204  142.7210 64.30701 150.6691 67.58469 -7.948120      93.29031 
1 1 1 12 30 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 30 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 30 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 30 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 31 1  o 106.9184 47.75743 0.9967688E-01  1.474717  -1.808405      2.027040  2.245207       2.149470  99.48174 47.99892 154.9375 62.85564 -55.45576      79.08684 
1 1 1 12 31 3  f 90.88959 43.54731 -1.407838      1.602372  -4.703341      2.529588  0.8007311      2.070830  93.05737 46.49995 129.8239 57.36644 -36.76649      73.84547 
1 1 1 12 31 5  o 114.6776 52.65965 -0.1214044     1.948676  0.4982822E-01  2.590200  -0.3447124     2.957960  128.2383 59.52983 129.9415 61.36399 -1.703262      85.49467 
1 1 1 12 31 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 31 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 31 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 31 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 31 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 32 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 33 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 33 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 33 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 33 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 33 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 34 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 34 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 12 34 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 0  1  o 92.81599 54.52849 0.7198304      1.210487  0.7198304      1.210487  0.7198304      1.210487  92.81599 54.52849 92.81599 54.52849 -0.000000      0.000000 
1 1 1 13 0  3  o 184.2171 68.27187 3.258613       1.651434  3.258613       1.651434  3.258613       1.651434  184.2171 68.27187 184.2171 68.27187 0.000000       0.000000 
1 1 1 13 0  5  o 601.5871 23.13618 25.77460       1.963118  25.77460       1.963118  25.77460       1.963118  601.5871 23.13618 601.5871 23.13618 0.000000       0.000000 
1 1 1 13 0  7  o 464.4229 24.12896 15.41529       1.576058  15.41529       1.576058  15.41529       1.576058  464.4229 24.12896 464.4229 24.12896 -0.000000      0.000000 
1 1 1 13 0  9  o 97.47506 55.93832 0.8612021      1.227435  0.8612021      1.227435  0.8612021      1.227435  97.47506 55.93832 97.47506 55.93832 -0.000000      0.000000 
1 1 1 13 0  11 o 345.7424 30.93388 8.679453       1.484392  8.679453       1.484392  8.679453       1.484392  345.7424 30.93388 345.7424 30.93388 0.000000       0.000000 
1 1 1 13 0  13 o 429.4885 26.77042 13.22626       1.612490  13.22626       1.612490  13.22626       1.612490  429.4885 26.77042 429.4885 26.77042 -0.000000      0.000000 
1 1 1 13 0  15 o 488.9648 30.37350 17.15658       2.083011  17.15658       2.083011  17.15658       2.083011  488.9648 30.37350 488.9648 30.37350 -0.000000      0.000000 
1 1 1 13 0  17 o 1021.514 25.12514 74.14297       3.627262  74.14297       3.627262  74.14297       3.627262  1021.514 25.12514 1021.514 25.12514 0.000000       0.000000 
1 1 1 13 0  19 o 826.7988 26.08885 48.65862       3.045745  48.65862       3.045745  48.65862       3.045745  826.7988 26.08885 826.7988 26.08885 0.000000       0.000000 
1 1 1 13 0  21 o 442.1247 39.98197 14.27887       2.452265  14.27887       2.452265  14.27887       2.452265  442.1247 39.98197 442.1247 39.98197 -0.000000      0.000000 
1 1 1 13 0  23 o 979.6262 28.50179 68.45419       3.943840  68.45419       3.943840  68.45419       3.943840  979.6262 28.50179 979.6262 28.50179 0.000000       0.000000 
1 1 1 13 0  25 o 565.4728 38.66258 23.27326       3.060261  23.27326       3.060261  23.27326       3.060261  565.4728 38.66258 565.4728 38.66258 -0.000000      0.000000 
1 1 1 13 0  27 o 212.5209 103.0555 5.311591       3.623075  5.311591       3.623075  5.311591       3.623075  212.5209 103.0555 212.5209 103.0555 0.000000       0.000000 
1 1 1 13 0  29 o 389.7260 73.85250 12.64802       3.647574  12.64802       3.647574  12.64802       3.647574  389.7260 73.85250 389.7260 73.85250 0.000000       0.000000 
1 1 1 13 0  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 0  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 1  0  o 132.8063 68.47571 1.861844       1.648366  1.861844       1.648366  1.861844       1.648366  132.8063 68.47571 132.8063 68.47571 -0.000000      0.000000 
1 1 1 13 1  2  o 821.3416 14.92234 47.82307       1.734524  49.60112       2.481569  46.12465       2.425372  835.4556 21.00525 805.5790 21.29273 29.87659       29.90988 
1 1 1 13 1  4  o 931.6306 14.90923 61.52404       1.965707  62.82190       2.824837  60.30556       2.737098  940.5540 21.22218 921.5609 20.98682 18.99310       29.84673 
1 1 1 13 1  6  o 679.6277 15.79192 32.74311       1.518888  31.85395       2.127125  33.66810       2.169568  669.3400 22.48762 688.1829 22.30610 -18.84290      31.67420 
1 1 1 13 1  8  o 602.6532 15.76116 25.75687       1.343082  25.20357       1.748047  26.55420       2.098402  595.6495 20.76861 610.9875 24.31671 -15.33795      31.97871 
1 1 1 13 1  10 o 1794.178 15.66363 228.0798       3.977204  231.2610       5.330589  224.0850       5.973363  1805.738 20.85934 1776.893 23.75406 28.84521       31.61277 
1 1 1 13 1  12 o 1179.570 13.57892 98.54263       2.266778  102.7374       3.312762  94.84940       3.108405  1203.852 19.44452 1156.764 18.98774 47.08887       27.17763 
1 1 1 13 1  14 o 1805.502 16.29606 230.9806       4.163901  232.5815       6.367815  229.7848       5.503562  1810.118 24.85787 1799.896 21.60611 10.22144       32.93535 
1 1 1 13 1  16 o 1294.911 16.81488 118.8680       3.081438  121.0284       4.381726  116.7542       4.334285  1305.443 23.71742 1282.151 23.88682 23.29199       33.66150 
1 1 1 13 1  18 o 110.9900 47.23757 0.2716993E-01  1.300135  0.7044508      1.882726  -0.5902270     1.797566  145.4889 58.89773 119.6305 53.12434 25.85835       79.31670 
1 1 1 13 1  20 o 1318.610 17.80520 123.4010       3.322638  126.5016       4.734829  120.3928       4.663815  1333.113 25.09675 1300.452 25.34120 32.66113       35.66544 
1 1 1 13 1  22 o 1105.328 19.16223 86.82497       2.997485  85.71822       4.205041  87.96829       4.273966  1095.900 27.11312 1110.159 27.20358 -14.25867      38.40776 
1 1 1 13 1  24 o 503.1513 29.55875 18.23195       2.095498  13.33582       2.951220  23.21031       2.975898  422.7873 50.30977 565.0717 37.42385 -142.2844      62.70261 
1 1 1 13 1  26 o 610.3421 34.85249 27.19110       2.997905  26.02141       4.196695  28.40997       4.284008  586.9282 51.03135 614.4159 49.69202 -27.48773      71.22847 
1 1 1 13 1  28 o 145.4875 63.22781 0.1792136      2.423885  -1.906809      3.266184  2.736383       3.616270  143.0229 66.54761 204.3968 82.02029 -61.37390      105.6216 
1 1 1 13 1  30 o 131.5624 59.63220 -0.5814226     2.396417  -0.9285315     3.452205  -0.2586027     3.329231  151.8140 69.85061 156.0132 70.54271 -4.199127      99.27427 
1 1 1 13 1  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 1  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 2  1  o 1251.814 18.24741 111.1904       3.232666  110.9437       4.569037  111.4377       4.574327  1248.693 25.85529 1251.477 25.82763 -2.784058      36.54535 
1 1 1 13 2  3  o 670.1282 16.13895 31.84342       1.530570  30.42022       2.133850  33.35159       2.196620  653.8597 23.09628 684.7391 22.69921 -30.87946      32.38352 
1 1 1 13 2  5  o 1172.665 14.87103 97.46870       2.467940  98.71494       3.496629  96.23158       3.483794  1179.166 20.95342 1164.204 21.14481 14.96204       29.76825 
1 1 1 13 2  7  o 235.6068 32.67445 4.029598       1.060186  3.993618       1.505755  4.064970       1.492984  231.7445 47.50873 233.9892 46.72263 -2.244766      66.63396 
1 1 1 13 2  9  o 495.4771 19.16799 17.43352       1.341529  18.21519       1.868706  16.60227       1.927056  505.7139 26.19991 482.4651 28.34827 23.24875       38.60129 
1 1 1 13 2  11 o 730.9089 15.01105 37.84464       1.552724  37.95427       2.369214  37.76208       2.055761  731.0634 22.92803 729.5284 19.93048 1.534973       30.37957 
1 1 1 13 2  13 o 1607.817 14.44808 183.1081       3.287507  184.6415       4.669056  181.6006       4.629667  1613.708 20.44487 1600.365 20.44141 13.34277       28.91096 
1 1 1 13 2  15 o 1696.740 16.10846 204.0222       3.868025  207.9164       5.999309  201.2517       5.060226  1711.093 24.77468 1684.243 21.22977 26.84912       32.62649 
1 1 1 13 2  17 o 103.0996 45.09793 -0.2588612     1.250343  -0.7524326     1.793329  0.2080375      1.744200  117.1369 52.46806 131.4619 55.26965 -14.32491      76.20782 
1 1 1 13 2  19 o 789.0822 20.84517 44.25804       2.325771  43.21703       2.984909  45.86669       3.710521  778.5228 27.13341 800.6661 32.81596 -22.14325      42.58062 
1 1 1 13 2  21 o 270.5405 44.52017 5.416876       1.645307  5.691992       2.363122  5.158040       2.292133  272.9396 62.52441 259.6348 63.02462 13.30478       88.77728 
1 1 1 13 2  23 o 803.2708 21.97918 45.99848       2.496232  45.95992       3.570712  46.03534       3.491045  799.7809 31.60969 800.7204 30.86518 -0.9395142     44.17954 
1 1 1 13 2  25 o 764.5248 26.29444 41.98823       2.840720  39.46970       3.577777  46.28428       4.672770  737.2987 34.38331 793.8372 41.73994 -56.53851      54.07804 
1 1 1 13 2  27 o 446.6996 43.59084 14.95248       2.720669  18.24234       3.889012  11.79908       3.807498  484.0272 57.92273 377.4312 73.92830 106.5960       93.91718 
1 1 1 13 2  29 o 142.4412 62.17175 0.1701985      2.365109  -0.1625872     3.385109  0.4875805      3.305837  160.9198 72.08218 166.7711 73.12950 -5.851364      102.6828 
1 1 1 13 2  31 o 125.5622 60.70994 -3.495954      3.284930  -4.095905      4.932782  -3.017876      4.403354  152.4604 73.87788 150.1953 72.02220 2.265121       103.1753 
1 1 1 13 2  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 3  0  o 479.2159 34.36876 16.57631       2.302761  16.57631       2.302761  16.57631       2.302761  479.2159 34.36876 479.2159 34.36876 -0.000000      0.000000 
1 1 1 13 3  2  o 1023.559 18.24459 74.33379       2.642815  76.06114       3.832502  72.76768       3.649238  1033.575 26.22234 1011.101 25.52321 22.47424       36.59297 
1 1 1 13 3  4  o 624.3705 16.39910 27.66143       1.447792  26.55312       2.020666  28.83060       2.075405  610.8425 23.41804 636.5875 23.07512 -25.74506      32.87653 
1 1 1 13 3  6  o 1062.732 16.41367 80.06710       2.468592  80.18499       3.186477  79.89014       3.904034  1062.850 21.18454 1060.051 26.02357 2.798828       33.55608 
1 1 1 13 3  8  o 895.3167 15.48207 56.80250       1.961668  56.28373       2.762060  57.33051       2.786537  890.5770 21.91502 898.8214 21.90643 -8.244446      30.98644 
1 1 1 13 3  10 o 952.1249 15.76610 64.23026       2.124409  66.09776       3.072481  62.51964       2.940593  965.2213 22.49275 938.7714 22.13376 26.44989       31.55673 
1 1 1 13 3  12 o 288.0934 25.04194 5.934796       1.010856  6.930526       1.433408  4.949671       1.425754  310.4011 33.14294 260.5469 39.93827 49.85416       51.89913 
1 1 1 13 3  14 o 1305.419 13.98890 120.7100       2.584362  122.7227       3.698092  118.7888       3.613070  1315.561 19.86310 1294.322 19.72487 21.23828       27.99310 
1 1 1 13 3  16 o 806.3817 17.98663 46.11354       2.052628  49.44338       3.005803  43.20379       2.809807  833.6764 25.50671 779.2464 25.51336 54.42999       36.07664 
1 1 1 13 3  18 o 268.2385 41.36781 5.278794       1.519946  8.315651       2.401870  3.250354       1.962991  335.2933 52.32615 209.1922 61.93319 126.1011       81.07864 
1 1 1 13 3  20 o 1017.976 18.17359 73.56171       2.618170  70.43387       3.622513  76.98250       3.788354  994.1707 25.76888 1039.707 25.74659 -45.53674      36.42694 
1 1 1 13 3  22 o 925.3826 19.99120 60.88946       2.618062  62.79799       3.784709  59.13820       3.625423  936.9865 28.57507 909.3745 28.20470 27.61194       40.15021 
1 1 1 13 3  24 o 270.4780 49.98869 5.550313       1.843011  7.143731       2.637106  4.028982       2.576763  302.4527 63.62909 227.9009 71.66081 74.55176       95.83284 
1 1 1 13 3  26 o 260.0774 57.52775 5.337093       2.061179  5.043357       2.620991  5.813193       3.336848  248.2014 71.02267 262.9479 81.37534 -14.74649      108.0100 
1 1 1 13 3  28 f 525.5645 37.91579 20.50111       2.801153  19.62284       4.015467  21.33365       3.909514  499.1563 57.91722 524.5252 53.41108 -25.36890      78.78545 
1 1 1 13 3  30 o 353.8932 74.73420 11.20065       3.625341  7.301371       4.996973  15.53397       5.267752  262.2245 98.83002 391.9778 95.78691 -129.7534      137.6318 
1 1 1 13 3  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 3  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 4  1  o 931.3370 18.50070 61.54505       2.438456  60.08586       3.380483  63.12788       3.520788  918.6381 26.02871 941.5290 26.44947 -22.89087      37.10886 
1 1 1 13 4  3  o 249.1016 30.79561 4.488791       1.062543  4.991601       1.575714  4.069499       1.438912  260.1484 44.39096 234.1917 45.05077 25.95670       63.24657 
1 1 1 13 4  5  o 522.5889 16.16440 19.37915       1.194035  19.99928       1.676099  18.74014       1.701426  530.2152 22.38753 513.0812 23.49423 17.13397       32.45274 
1 1 1 13 4  7  o 462.6420 21.57733 15.22232       1.408850  14.37522       2.197854  15.81317       1.835560  447.6800 34.96779 470.8011 27.67135 -23.12109      44.59204 
1 1 1 13 4  9  o 345.8307 24.74002 8.533917       1.202832  8.247587       1.689576  8.828167       1.712784  338.3775 35.82578 350.3431 35.01387 -11.96558      50.09449 
1 1 1 13 4  11 f 321.1124 27.02155 7.373713       1.216586  7.591483       1.699036  7.144574       1.742824  324.2724 37.72673 314.0294 40.13192 10.24301       55.08064 
1 1 1 13 4  13 o 663.3069 17.79753 31.20489       1.669173  28.88103       2.318212  33.70669       2.405333  637.2885 25.75686 688.6819 24.71962 -51.39343      35.69979 
1 1 1 13 4  15 o 950.0488 15.44839 63.96250       2.077060  64.45144       3.221998  63.61482       2.716964  952.3902 23.92404 946.9568 20.27374 5.433350       31.35896 
1 1 1 13 4  17 o 1262.815 17.09789 113.1009       3.055639  115.5925       4.352751  110.6799       4.290573  1275.204 24.11928 1247.770 24.29747 27.43433       34.23604 
1 1 1 13 4  19 o 509.0361 23.45706 18.46564       1.685283  22.20555       2.481034  15.26176       2.296364  556.7880 31.61634 460.4580 35.51384 96.33005       47.54813 
1 1 1 13 4  21 o 875.6337 20.14888 54.49643       2.496855  51.54336       3.498531  57.56202       3.564566  849.0320 29.15996 897.6177 28.09510 -48.58563      40.49244 
1 1 1 13 4  23 o 1467.392 21.31586 153.3850       4.426584  157.1416       5.829134  148.2676       6.803472  1481.801 27.79676 1435.709 33.48455 46.09241       43.51867 
1 1 1 13 4  25 o 804.2692 25.58750 46.45920       2.908681  48.51392       3.720092  43.22721       4.665655  818.3771 32.18311 765.3069 43.25424 53.07019       53.91365 
1 1 1 13 4  27 o 288.4359 63.79908 6.750753       2.535118  7.772456       3.605858  5.752135       3.564890  298.5660 82.56669 258.0396 84.59966 40.52634       118.2132 
1 1 1 13 4  29 o 200.1852 70.25660 3.271531       2.462623  0.7335126      3.385416  6.123707       3.588829  170.3617 74.37017 257.3306 84.90918 -86.96887      112.8738 
1 1 1 13 4  31 o 163.7422 73.34418 0.5617723      3.504382  3.176745       4.728582  -2.624488      5.219609  203.6521 88.41022 163.9779 78.57363 39.67426       118.2801 
1 1 1 13 4  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 5  0  o 1060.533 25.51711 79.92574       3.824786  79.92574       3.824786  79.92574       3.824786  1060.533 25.51711 1060.533 25.51711 0.000000       0.000000 
1 1 1 13 5  2  o 1493.880 17.03086 158.2646       3.600578  159.2874       4.697298  156.8074       5.606462  1497.551 22.16393 1484.599 26.68456 12.95239       34.68869 
1 1 1 13 5  4  o 705.9912 13.83842 35.31714       1.382629  34.44260       1.934606  36.23020       1.976739  696.4347 19.64837 714.3024 19.57298 -17.86774      27.73374 
1 1 1 13 5  6  o 846.1548 13.30520 50.72047       1.593276  50.28210       2.242981  51.16695       2.263626  842.0110 18.82297 849.3867 18.83126 -7.375610      26.62556 
1 1 1 13 5  8  o 867.3702 13.31034 53.28822       1.633855  54.40977       2.330025  52.20326       2.291692  876.0173 18.79439 858.0636 18.87196 17.95374       26.63418 
1 1 1 13 5  10 o 424.9776 21.33799 12.84118       1.279228  11.76173       1.792995  13.96029       1.825649  405.4829 31.49217 442.2536 29.33511 -36.77075      43.03842 
1 1 1 13 5  12 o 1095.127 17.57992 84.99319       2.724589  78.76265       4.178926  89.59991       3.593338  1052.604 28.07812 1123.853 22.59273 -71.24927      36.03904 
1 1 1 13 5  14 o 176.7805 45.82241 2.321191       1.155734  2.069173       1.615423  2.585446       1.654175  172.9858 56.96162 188.6390 57.09051 -15.65320      80.64709 
1 1 1 13 5  16 o 710.9576 18.92402 35.88577       1.902351  34.41352       2.622934  37.51968       2.763204  695.0568 26.71508 725.7488 26.95018 -30.69202      37.94744 
1 1 1 13 5  18 o 982.4626 17.85005 68.48911       2.481848  69.85962       3.520724  67.13538       3.499104  990.5888 25.13447 970.9865 25.48587 19.60236       35.79485 
1 1 1 13 5  20 o 245.2460 46.46523 4.484611       1.553668  3.031085       2.232756  5.849142       2.163325  204.9508 66.93790 278.2596 56.85794 -73.30882      87.82658 
1 1 1 13 5  22 f 704.4736 24.33101 35.43034       2.422101  32.89344       3.799921  37.16639       3.143438  673.6596 40.03849 719.6028 30.93912 -45.94324      50.59951 
1 1 1 13 5  24 o 598.0974 28.96328 25.76762       2.444255  25.47350       3.078561  26.26924       4.020357  591.4015 36.96775 594.8000 48.17297 -3.398499      60.72272 
1 1 1 13 5  26 o 256.0693 59.18509 5.222358       2.101833  4.633799       2.648721  6.223152       3.453927  237.6460 72.30873 269.9728 82.65516 -32.32684      109.8200 
1 1 1 13 5  28 o 282.0728 64.27017 6.576643       2.508199  7.930424       3.620967  5.327920       3.477631  297.2570 82.94173 246.0868 83.61913 51.17021       117.7773 
1 1 1 13 5  30 o 260.2023 85.11236 6.703197       3.609151  2.066276       4.839748  12.51250       5.417139  197.2809 87.41106 332.6140 103.8044 -135.3332      135.7057 
1 1 1 13 5  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 5  34 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 6  1  o 1158.381 18.09001 95.17863       2.965583  97.96687       3.490856  87.94808       5.621505  1174.735 20.99773 1109.044 35.86372 65.69055       41.55852 
1 1 1 13 6  3  o 940.3707 16.50549 62.69329       2.196581  63.24603       3.459693  62.32000       2.843142  942.8259 25.95372 936.9498 21.44186 5.876099       33.66525 
1 1 1 13 6  5  o 952.8439 13.06571 64.31490       1.761872  61.56742       2.430169  67.35922       2.558076  931.7618 18.42942 974.5899 18.54692 -42.82813      26.14635 
1 1 1 13 6  7  o 1758.022 14.47574 218.9580       3.601511  222.0480       5.133967  215.9639       5.053596  1769.313 20.50352 1744.913 20.46477 24.40027       28.96898 
1 1 1 13 6  9  f 1363.852 13.71882 131.7489       2.647915  137.5213       3.889067  126.7605       3.615333  1392.686 19.73206 1337.173 19.10474 55.51331       27.46534 
1 1 1 13 6  11 o 491.9976 17.25312 17.17446       1.199438  18.29406       1.761363  16.20633       1.637882  507.1160 24.61620 477.2626 24.32993 29.85336       34.61073 
1 1 1 13 6  13 o 447.7546 22.46402 14.26095       1.418920  13.36643       1.974453  15.21631       2.040487  432.1743 32.52115 461.4268 31.43493 -29.25250      45.23030 
1 1 1 13 6  15 o 1378.256 18.74787 134.7410       3.656804  134.1525       5.820526  135.1248       4.700243  1372.669 29.96240 1379.135 24.08206 -6.465942      38.44075 
1 1 1 13 6  17 o 1650.736 17.94000 193.3381       4.191021  196.5064       5.966293  190.2519       5.888472  1661.970 25.36656 1635.281 25.44430 26.68958       35.92875 
1 1 1 13 6  19 o 523.8779 23.78812 19.56532       1.759038  19.06616       2.512222  20.04541       2.463796  514.9867 34.67214 528.4619 33.11000 -13.47522      47.94194 
1 1 1 13 6  21 f 238.5849 52.96742 4.314790       1.741792  4.095076       2.577632  4.499419       2.362885  232.4778 71.44689 241.9084 66.81436 -9.430664      97.82033 
1 1 1 13 6  23 o 1114.649 20.03370 88.48869       3.160233  88.12897       4.436452  88.85925       4.502776  1108.466 28.30409 1112.887 28.61341 -4.421753      40.24734 
1 1 1 13 6  25 o 734.7327 26.04483 38.84700       2.703854  40.79910       3.474421  35.84927       4.305533  749.3295 32.84324 695.1135 43.99316 54.21606       54.90061 
1 1 1 13 6  27 o 329.5117 53.70122 8.495077       2.418071  7.945163       2.733621  10.47302       5.184392  312.4464 63.97712 329.3785 101.3442 -16.93213      119.8487 
1 1 1 13 6  29 o 239.4103 68.28494 4.981386       2.426670  6.780759       3.425799  3.169287       3.437892  269.1397 82.30222 202.7480 80.43046 66.39172       115.0770 
1 1 1 13 6  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 6  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 7  0  o 919.9036 21.56045 60.07366       2.803372  60.07366       2.803372  60.07366       2.803372  919.9036 21.56045 919.9036 21.56045 -0.000000      0.000000 
1 1 1 13 7  2  o 561.0371 17.85506 22.34324       1.415857  24.17329       2.064043  20.71681       1.945831  582.7109 25.08791 539.2960 25.56799 43.41486       35.82074 
1 1 1 13 7  4  o 1399.169 13.49093 138.6857       2.671356  141.0972       3.785765  136.2941       3.770021  1410.487 18.96553 1386.229 19.21715 24.25732       26.99981 
1 1 1 13 7  6  o 172.0343 39.00108 2.195691       0.9275560 2.154453       1.271887  2.242538       1.355640  171.4452 49.60493 175.1304 51.36783 -3.685196      71.40940 
1 1 1 13 7  8  o 283.1820 25.05148 5.737175       0.9936208 5.490902       1.372162  6.008673       1.440728  275.3269 36.08332 288.2153 36.11254 -12.88837      51.05019 
1 1 1 13 7  10 f 698.0946 14.64442 34.52091       1.446793  36.04290       2.112690  33.17681       1.985387  712.6118 20.97180 683.7098 20.54217 28.90204       29.35638 
1 1 1 13 7  12 o 1112.095 13.90533 87.60259       2.188482  86.75919       3.079317  88.46337       3.110887  1106.164 19.67049 1116.974 19.67983 -10.81006      27.82487 
1 1 1 13 7  14 o 898.6133 18.90745 57.27203       2.404505  55.41213       3.782136  58.53372       3.115077  881.7805 30.35323 907.4555 24.27806 -25.67505      38.86827 
1 1 1 13 7  16 o 719.6310 21.21141 36.80954       2.157869  34.38136       3.438269  38.38750       2.771711  692.7263 35.18708 733.9495 26.72932 -41.22314      44.18809 
1 1 1 13 7  18 o 752.0472 19.56272 40.18939       2.080296  42.27732       3.039461  38.34937       2.853320  769.6790 27.95046 733.0934 27.55147 36.58551       39.24680 
1 1 1 13 7  20 f 309.3527 38.22489 6.980414       1.637915  7.199386       2.337556  6.769207       2.295734  309.5017 55.40218 299.6613 56.19809 9.840363       78.91531 
1 1 1 13 7  22 o 417.3350 32.80038 12.59044       1.921682  11.72354       2.662541  13.53305       2.776370  397.7338 48.29068 428.3434 46.54758 -30.60956      67.07211 
1 1 1 13 7  24 o 606.2248 29.24347 26.52799       2.501494  24.26846       3.135729  30.48258       4.148400  575.4977 38.72674 640.8526 46.04765 -65.35492      60.16766 
1 1 1 13 7  26 o 255.5582 62.81799 5.296959       2.255594  5.165076       2.985043  5.472481       3.443673  247.6674 77.01885 253.1651 83.15694 -5.497711      113.3445 
1 1 1 13 7  28 o 130.9876 59.33120 -0.6926991     2.367420  2.109688       3.290848  -3.698726      3.408318  187.9390 77.19028 130.7671 62.87690 57.17188       99.55825 
1 1 1 13 7  30 o 169.6574 73.34241 1.381313       3.226513  3.695805       4.704988  -0.6734105     4.433097  209.7969 89.59298 166.6006 77.52192 43.19635       118.4759 
1 1 1 13 7  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 8  1  o 428.5103 23.07530 13.07460       1.394195  12.10037       1.792505  14.56651       2.218211  411.1176 31.03802 450.6216 35.05900 -39.50397      46.82405 
1 1 1 13 8  3  o 1164.736 16.60616 96.15643       2.737261  91.25294       4.163613  99.88900       3.632630  1133.269 25.96078 1186.428 21.63515 -53.15955      33.79411 
1 1 1 13 8  5  o 1618.068 14.12041 185.4722       3.233433  182.8679       4.502151  188.2464       4.646808  1605.782 19.81133 1629.162 20.15444 -23.37952      28.26111 
1 1 1 13 8  7  o 1196.302 13.43271 101.3647       2.274176  107.0494       3.278263  96.09116       3.157478  1228.820 18.85105 1164.191 19.16445 64.62915       26.88193 
1 1 1 13 8  9  o 674.1332 14.74968 32.19265       1.407175  33.76188       1.982022  30.59774       1.998168  689.7314 20.32744 656.4650 21.53718 33.26636       29.61511 
1 1 1 13 8  11 o 110.0135 42.81874 0.5348110      0.9584264 0.3440229      1.341788  0.7335542      1.369475  120.0412 49.29465 130.4586 51.06586 -10.41736      70.97665 
1 1 1 13 8  13 o 456.3120 19.08737 14.79330       1.229894  15.75775       1.783237  13.91831       1.698520  470.0683 26.91831 441.6341 27.30977 28.43427       38.34605 
1 1 1 13 8  15 o 624.9901 21.68697 27.77451       1.915285  26.35513       3.067580  28.68133       2.451928  606.2112 35.91725 634.2188 27.38251 -28.00757      45.16471 
1 1 1 13 8  17 o 703.9285 21.60443 35.24369       2.149695  32.98531       3.419645  36.71926       2.764158  677.9299 35.76975 717.4443 27.27384 -39.51440      44.98153 
1 1 1 13 8  19 o 121.3572 50.97491 0.2000523      1.481551  -1.956039      2.056998  2.524234       2.135676  111.3041 52.12440 191.1940 65.51624 -79.88990      83.72175 
1 1 1 13 8  21 o 537.2582 26.79600 20.67063       2.030953  24.86186       2.985485  17.06022       2.770907  586.5909 36.13877 484.0445 40.83022 102.5464       54.52630 
1 1 1 13 8  23 o 803.7446 22.81643 46.19694       2.592662  44.05183       3.574855  48.57724       3.765743  780.6707 32.42780 819.8007 32.52261 -39.13007      45.92692 
1 1 1 13 8  25 o 144.7090 59.66808 0.7574866      1.976479  3.694623       2.497495  -4.164770      3.233142  215.4448 70.82001 125.8152 60.68338 89.62963       93.26279 
1 1 1 13 8  27 o 100.7168 47.85931 -1.969725      1.853640  -2.305410      2.301217  -1.349484      3.128034  112.4255 53.39493 144.1813 66.39368 -31.75578      85.20058 
1 1 1 13 8  29 o 128.6975 61.30167 -2.560000      3.078015  -10.22001      4.322292  5.321412       4.384311  116.7859 58.69842 234.0078 91.43681 -117.2219      108.6563 
1 1 1 13 8  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 8  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 9  0  o 432.0500 26.96688 13.39048       1.633969  13.39048       1.633969  13.39048       1.633969  432.0500 26.96688 432.0500 26.96688 -0.000000      0.000000 
1 1 1 13 9  2  o 129.9402 46.16396 1.046393       1.065792  1.070814       1.425055  1.015395       1.605552  140.8595 52.84411 144.6543 55.65766 -3.794800      76.74812 
1 1 1 13 9  4  o 742.4534 16.28842 39.06369       1.711465  40.46012       2.394676  37.60566       2.446924  754.7736 22.44361 727.4683 23.79971 27.30536       32.71302 
1 1 1 13 9  6  f 901.3098 13.67313 57.53990       1.744061  57.95533       2.476276  57.13099       2.456789  904.1077 19.35348 897.6561 19.33918 6.451599       27.35985 
1 1 1 13 9  8  o 619.1147 15.18645 27.15452       1.330599  26.12108       1.842248  28.28161       1.923910  606.4843 21.49791 631.0901 21.57310 -24.60583      30.45585 
1 1 1 13 9  10 o 805.8047 14.26442 45.99568       1.626686  46.89145       2.309332  45.11351       2.291732  813.1852 20.06675 797.3406 20.32611 15.84460       28.56266 
1 1 1 13 9  12 o 842.5812 14.42640 50.30069       1.720243  49.95953       2.465613  50.62426       2.401245  839.1393 20.76208 844.7758 20.08515 -5.636475      28.88732 
1 1 1 13 9  14 o 158.5235 47.50153 1.829262       1.149312  1.060720       1.823876  2.335434       1.480166  151.4461 59.03297 178.8373 53.97860 -27.39114      79.99113 
1 1 1 13 9  16 o 513.3096 20.62713 18.74496       1.495383  14.78168       2.212641  22.07726       2.028872  453.3323 34.75351 556.3273 25.84000 -102.9949      43.30718 
1 1 1 13 9  18 o 1205.036 19.94425 103.1698       3.401243  101.1015       5.319564  104.6001       4.423588  1188.840 31.64603 1211.710 25.79622 -22.87000      40.82789 
1 1 1 13 9  20 o 552.0046 28.02677 21.82766       2.182288  20.07826       3.354881  23.11081       2.873238  524.0450 45.69293 565.8116 36.07009 -41.76660      58.21422 
1 1 1 13 9  22 o 799.5214 22.19366 45.64587       2.508756  43.70638       3.426311  47.88742       3.683462  778.9213 31.14511 814.9833 31.99872 -36.06195      44.65351 
1 1 1 13 9  24 o 463.5205 34.12197 15.70326       2.222635  16.88205       2.866192  13.92511       3.520229  476.3528 42.97820 422.2847 60.64153 54.06812       74.32712 
1 1 1 13 9  26 f 258.8104 56.01547 5.348828       1.992046  4.610487       2.526727  6.561492       3.238174  234.6559 70.45856 274.3796 79.07822 -39.72377      105.9140 
1 1 1 13 9  28 o 293.0245 51.02240 6.838133       2.039016  7.778469       2.536791  5.121716       3.427321  306.2708 60.67357 236.3286 82.88750 69.94220       102.7211 
1 1 1 13 9  30 o 238.3879 79.59667 5.656374       3.151463  7.625425       4.493232  3.749845       4.421322  258.7115 94.41299 206.0875 87.38705 52.62399       128.6480 
1 1 1 13 9  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 10 1  o 676.2527 14.75283 32.39933       1.411901  34.97470       2.052604  30.08647       1.945183  701.9016 20.68632 650.9110 21.14442 50.99054       29.58058 
1 1 1 13 10 3  o 1176.540 15.46146 98.07771       2.574405  100.3280       3.686648  95.93603       3.596541  1189.180 21.90607 1162.866 21.85423 26.31323       30.94322 
1 1 1 13 10 5  o 1368.252 14.59053 132.6203       2.825252  131.7996       3.723352  133.7341       4.337650  1363.439 19.29650 1372.953 22.32437 -9.513794      29.50817 
1 1 1 13 10 7  f 575.0231 15.99257 23.44588       1.300174  23.04336       1.803700  23.88126       1.875870  569.4857 22.42391 579.7111 22.91013 -10.22540      32.05785 
1 1 1 13 10 9  o 608.4469 15.83119 26.24906       1.362031  27.50392       1.956878  25.06991       1.896926  622.2264 22.25850 593.9817 22.60742 28.24469       31.72595 
1 1 1 13 10 11 o 444.1648 19.52901 14.01960       1.224563  14.57593       1.772241  13.51131       1.693995  451.9320 27.84478 435.0764 27.65543 16.85559       39.24480 
1 1 1 13 10 13 o 346.6784 25.63726 8.592560       1.248919  7.656189       1.875997  9.337903       1.673735  324.2244 41.86123 360.2857 33.19925 -36.06134      53.42801 
1 1 1 13 10 15 o 372.2744 25.85095 9.911279       1.353485  9.196272       2.094950  10.42356       1.773253  355.2642 42.51091 380.5367 33.26116 -25.27252      53.97668 
1 1 1 13 10 17 o 378.5156 29.67860 10.28840       1.577112  10.27696       2.230202  10.29984       2.230543  375.3991 42.73913 375.8336 42.69242 -0.4345703     60.40924 
1 1 1 13 10 19 o 124.8058 53.92270 -0.1069318     1.742127  -2.517191      2.739098  1.530428       2.257604  128.2644 60.09339 170.7668 65.92144 -42.50238      89.20119 
1 1 1 13 10 21 o 646.5448 24.39420 29.89852       2.228052  31.85577       3.119306  27.85980       3.183561  664.3851 33.28154 619.9965 36.44380 44.38861       49.35394 
1 1 1 13 10 23 o 331.5359 40.75732 8.171509       1.872105  6.221980       2.623734  10.19348       2.672037  277.7679 67.43158 365.0795 53.28751 -87.31168      85.94520 
1 1 1 13 10 25 o 348.8654 42.96865 9.177126       2.076661  9.466070       2.639329  8.707533       3.364704  347.6119 55.51791 320.5880 75.42921 27.02396       93.65791 
1 1 1 13 10 27 o 323.2704 45.65096 8.074162       2.030444  9.645688       2.632074  5.764476       3.190905  347.3495 55.40410 252.8176 79.77822 94.53192       97.12970 
1 1 1 13 10 29 o 151.4236 63.26147 1.192234       2.263142  -0.1378603     2.579306  5.641907       4.717650  138.8067 62.48751 231.6488 93.42744 -92.84210      112.3983 
1 1 1 13 10 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 10 33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 11 0  o 210.4087 52.33573 3.674281       1.348512  3.674281       1.348512  3.674281       1.348512  210.4087 52.33573 210.4087 52.33573 -0.000000      0.000000 
1 1 1 13 11 2  o 622.0911 17.89047 27.45347       1.573418  28.81222       2.240775  26.13198       2.209847  636.5681 24.92146 606.0793 25.82316 30.48871       35.88753 
1 1 1 13 11 4  f 545.3286 19.04215 21.10865       1.467328  18.96481       2.016399  23.52174       2.139278  515.9240 27.71840 574.9053 26.36384 -58.98126      38.25391 
1 1 1 13 11 6  o 483.1187 17.58776 16.56446       1.200490  16.18003       1.667636  16.97797       1.729556  476.7727 24.80080 488.3832 25.10813 -11.61053      35.29161 
1 1 1 13 11 8  o 716.5304 15.08896 36.37524       1.530079  36.52658       2.151442  36.22036       2.176491  717.2672 21.21810 714.2131 21.55792 3.054138       30.24817 
1 1 1 13 11 10 o 468.9576 18.97621 15.62257       1.256797  14.17440       1.740806  17.19917       1.816359  445.6306 27.74052 491.2538 26.22118 -45.62320      38.17181 
1 1 1 13 11 12 o 1234.214 14.24688 107.9535       2.488456  103.9696       3.472644  112.1585       3.567698  1210.276 20.27478 1257.077 20.05425 -46.80139      28.51735 
1 1 1 13 11 14 o 224.8962 39.66046 3.731781       1.216175  4.351514       1.887598  3.291924       1.590240  239.9688 56.52036 209.1082 53.51855 30.86053       77.83820 
1 1 1 13 11 16 o 853.0077 16.86797 51.63265       2.036271  55.16047       3.197148  49.22493       2.641267  879.6570 25.70963 831.6755 22.46138 47.98145       34.13940 
1 1 1 13 11 18 o 373.8413 32.27084 10.08149       1.690631  11.76230       2.421900  8.484024       2.361086  401.1369 43.35008 337.7293 50.98616 63.40759       66.92397 
1 1 1 13 11 20 f 425.1090 36.33994 13.12823       2.165325  18.02474       3.559497  10.25180       2.728178  492.5481 51.84101 369.4161 53.76017 123.1320       74.68364 
1 1 1 13 11 22 o 829.1629 21.69187 49.16073       2.543217  48.52085       3.438058  49.93398       3.779436  820.0352 29.67410 830.4773 32.21841 -10.44214      43.80158 
1 1 1 13 11 24 o 154.8434 60.48069 1.354443       1.917593  -0.7414203     2.444492  4.707601       3.091962  134.5686 60.68359 237.8167 78.82605 -103.2482      99.47887 
1 1 1 13 11 26 o 173.7809 62.24487 2.254842       1.941533  3.251180       2.463218  0.6204113      3.154878  200.8813 70.28259 165.9108 72.11880 34.97044       100.7014 
1 1 1 13 11 28 o 202.2652 70.79453 3.590060       2.499384  1.160938       2.916685  10.30408       4.849043  163.3410 70.16315 305.2883 98.56661 -141.9473      120.9886 
1 1 1 13 11 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 11 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 12 1  o 653.4538 15.07935 30.25137       1.394496  30.59424       1.976953  29.91184       1.967313  656.4078 21.30977 649.0236 21.44816 7.384216       30.23458 
1 1 1 13 12 3  o 410.4059 23.13396 11.99014       1.338202  12.58068       1.838526  11.32477       1.951531  419.4226 31.19748 397.2344 35.07430 22.18826       46.94133 
1 1 1 13 12 5  o 984.3574 14.58655 68.64339       2.032007  69.46616       3.077700  68.00756       2.705523  989.5117 21.97787 979.3394 19.52083 10.17230       29.39540 
1 1 1 13 12 7  o 618.9781 16.09297 27.16986       1.408519  27.43132       1.966886  26.89464       2.017991  621.3190 22.40559 615.1066 23.22361 6.212463       32.26990 
1 1 1 13 12 9  o 438.4894 21.23747 13.67767       1.313979  14.49331       1.726646  12.55536       2.025396  450.6611 27.19943 418.1916 34.53020 32.46951       43.95615 
1 1 1 13 12 11 o 443.7024 20.27103 14.00394       1.269517  12.72666       1.766799  15.36732       1.825371  421.6148 29.80295 463.7926 27.93998 -42.17783      40.85166 
1 1 1 13 12 13 o 771.1602 16.76167 42.18629       1.829286  42.60501       2.788555  41.86998       2.423657  773.2863 25.51609 767.1943 22.34648 6.092041       33.91808 
1 1 1 13 12 15 o 147.0408 50.41170 1.447631       1.264486  2.700728       2.018445  0.6381555      1.622282  194.3308 63.65504 135.6179 54.75467 58.71294       83.96450 
1 1 1 13 12 17 o 347.9451 33.26759 8.752510       1.618219  7.601506       2.221596  10.05344       2.361854  319.4132 50.84954 369.7476 46.13770 -50.33438      68.66123 
1 1 1 13 12 19 o 768.8221 21.32688 42.13209       2.318213  41.18345       3.192098  43.19080       3.372206  757.4772 29.83577 775.3895 30.79206 -17.91235      42.87568 
1 1 1 13 12 21 f 704.4532 25.77277 35.62155       2.565077  37.74816       4.152209  34.30910       3.261941  717.4716 41.06506 687.9203 33.60736 29.55133       53.06406 
1 1 1 13 12 23 f 269.9076 53.18061 5.693153       1.959085  6.413202       2.393722  4.232415       3.409409  282.7874 61.56309 230.1543 82.47858 52.63312       102.9210 
1 1 1 13 12 25 o 140.3782 57.71598 0.8064609      1.842286  1.371747       2.384515  -0.3065953E-01 2.901749  162.8107 66.14666 153.1402 67.77699 9.670471       94.70533 
1 1 1 13 12 27 f 428.7307 36.96321 13.86205       2.220837  14.39517       2.804714  12.96596       3.636242  429.0983 46.95171 387.2535 68.87370 41.84479       83.35497 
1 1 1 13 12 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 12 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 13 0  o 964.6363 19.46720 65.99396       2.655141  65.99396       2.655141  65.99396       2.655141  964.6363 19.46720 964.6363 19.46720 0.000000       0.000000 
1 1 1 13 13 2  o 474.0275 21.09909 15.97088       1.411878  14.36603       1.962796  17.69161       2.032419  448.3064 31.13053 498.0253 28.96142 -49.71884      42.51910 
1 1 1 13 13 4  o 743.2147 16.78128 39.14913       1.765059  36.55639       2.403040  42.18674       2.601041  717.2169 23.70762 770.5039 23.88236 -53.28705      33.65143 
1 1 1 13 13 6  o 721.3257 15.07170 36.86950       1.538557  39.89598       2.213917  34.04258       2.139678  749.5712 20.89068 692.2383 21.86845 57.33282       30.24318 
1 1 1 13 13 8  o 1078.973 14.17316 82.49373       2.164198  81.77853       3.030607  83.23799       3.091581  1073.547 19.94753 1083.050 20.17030 -9.503296      28.36802 
1 1 1 13 13 10 o 201.9568 39.19581 3.018616       1.079845  3.653226       1.520745  2.373234       1.533599  220.7831 49.85446 180.4153 55.04615 40.36783       74.26672 
1 1 1 13 13 12 o 906.3471 15.87970 58.26172       2.036839  58.69109       3.094823  57.93363       2.705353  907.9993 24.10542 902.9812 21.17022 5.018127       32.08192 
1 1 1 13 13 14 o 382.7589 25.91402 10.48391       1.395443  10.33395       2.132440  10.59622       1.845435  376.9512 40.61365 383.2003 34.39480 -6.249176      53.22096 
1 1 1 13 13 16 o 275.3281 36.64223 5.538397       1.392336  2.638330       2.078531  7.898936       1.875245  192.8531 64.64651 328.4645 41.24861 -135.6114      76.68520 
1 1 1 13 13 18 o 149.7977 56.48771 1.272991       1.632931  -1.492422      2.176000  4.837808       2.470573  120.0901 55.32741 249.1569 68.12395 -129.0668      87.76101 
1 1 1 13 13 20 o 439.1429 30.92386 13.95771       1.909561  14.27251       2.656753  13.62127       2.746538  439.4884 43.27618 428.0641 46.06144 11.42429       63.20192 
1 1 1 13 13 22 o 356.3506 44.19747 9.554838       2.181174  12.74665       3.489777  7.508610       2.794191  400.7005 63.66737 304.0997 66.75996 96.60080       92.25197 
1 1 1 13 13 24 f 281.1552 51.73360 6.212746       1.982614  4.509218       2.453036  9.421825       3.366817  231.7257 69.38779 332.8558 73.44535 -101.1301      101.0390 
1 1 1 13 13 26 o 408.7995 37.35819 12.58216       2.137442  13.26916       2.743185  11.52052       3.410103  412.1982 47.91713 367.1393 68.14029 45.05899       83.30157 
1 1 1 13 13 28 o 312.3295 59.77426 8.405094       2.545874  6.885895       2.964647  12.67204       4.968487  266.7146 75.27568 331.0236 98.66370 -64.30899      124.1006 
1 1 1 13 13 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 14 1  o 211.0638 36.19078 3.265399       1.042123  3.717543       1.459478  2.795082       1.488520  223.5223 47.59790 193.9222 52.81974 29.60005       71.10194 
1 1 1 13 14 3  o 351.3722 26.54622 8.824886       1.310284  9.114808       1.851291  8.533877       1.854756  355.4186 37.36380 343.5065 38.83345 11.91211       53.88962 
1 1 1 13 14 5  o 443.4013 19.04959 13.97199       1.192582  12.69218       1.647142  15.38211       1.728961  421.5060 27.76727 464.3926 26.41649 -42.88657      38.32561 
1 1 1 13 14 7  o 140.0589 46.09871 1.351977       1.058076  1.166461       1.446136  1.565697       1.552177  143.6862 53.36664 157.1432 55.72229 -13.45695      77.15550 
1 1 1 13 14 9  o 714.2068 15.97458 36.17263       1.614631  33.45925       2.211384  39.27088       2.363017  685.7509 22.81829 743.0378 22.49763 -57.28693      32.04399 
1 1 1 13 14 11 o 138.6430 47.58951 1.277201       1.126960  -0.4510494     1.568353  3.122173       1.620449  112.7840 49.87630 203.6970 54.95471 -90.91291      74.21365 
1 1 1 13 14 13 o 130.0517 50.76500 0.7756982      1.350292  -1.019660      1.935982  2.476426       1.884270  118.2016 53.58499 186.6792 61.52149 -68.47765      81.58581 
1 1 1 13 14 15 o 87.19570 41.12662 -1.437366      1.321132  -2.422678      1.997366  -0.6710162     1.761507  104.1181 49.53386 116.4279 52.08651 -12.30984      71.87911 
1 1 1 13 14 17 o 131.4525 54.31073 0.4500053      1.641903  1.604205       2.224328  -0.9318040     2.433786  170.7591 65.55985 135.3100 60.82436 35.44911       89.42985 
1 1 1 13 14 19 o 724.6914 22.37042 37.53979       2.291536  32.88644       3.045037  43.61657       3.479734  674.6739 31.98285 777.3209 31.69844 -102.6470      45.02992 
1 1 1 13 14 21 f 288.2303 46.30417 6.321823       1.824821  3.799026       2.470404  9.351418       2.707192  218.0449 70.34957 346.1182 57.26914 -128.0733      90.71282 
1 1 1 13 14 23 o 124.2800 56.75959 -0.9803476     2.223230  2.436858       3.350234  -3.669340      2.971901  196.1137 78.85931 121.0283 58.32581 75.08540       98.08512 
1 1 1 13 14 25 o 140.4471 57.11836 0.9563665      1.780127  3.547504       2.252044  -3.358697      2.906199  205.1796 67.23936 119.7804 57.71259 85.39922       88.61081 
1 1 1 13 14 27 o 387.5360 47.44541 12.01704       2.547901  9.430530       3.014634  18.48457       4.767013  323.9762 67.92522 440.8766 79.31900 -116.9004      104.4286 
1 1 1 13 14 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 14 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 15 0  o 81.96274 52.99041 -0.2791595E-01 1.440512  -0.2791595E-01 1.440512  -0.2791595E-01 1.440512  81.96274 52.99041 81.96274 52.99041 0.000000       0.000000 
1 1 1 13 15 2  o 659.0664 18.74652 30.83944       1.746739  32.36832       2.400776  29.11978       2.546154  674.3182 25.20182 639.0406 28.22337 35.27753       37.83769 
1 1 1 13 15 4  o 343.8854 27.86882 8.471355       1.344676  9.226630       1.890215  7.697509       1.913314  357.2073 37.97252 324.9339 42.63506 32.27347       57.09344 
1 1 1 13 15 6  o 315.1474 26.27517 7.116083       1.161216  8.407316       1.609284  5.713500       1.677238  341.4738 33.74141 278.7122 43.97921 62.76166       55.43153 
1 1 1 13 15 8  o 730.4208 15.72191 37.83636       1.625167  35.53284       2.226941  40.46091       2.377064  706.6915 22.29476 754.1514 22.29666 -47.45984      31.53089 
1 1 1 13 15 10 o 574.0455 18.33167 23.41825       1.487342  21.11204       2.068424  25.88742       2.140254  543.6260 26.96979 602.4630 25.15776 -58.83704      36.88201 
1 1 1 13 15 12 o 294.1152 32.65213 6.264041       1.336216  6.727481       1.999790  5.890249       1.795986  301.0387 48.59437 281.7750 46.67044 19.26370       67.37612 
1 1 1 13 15 14 o 832.2285 17.38697 49.18811       2.047794  49.49529       3.110967  48.95324       2.720240  832.4266 26.44118 828.7399 23.21653 3.686646       35.18726 
1 1 1 13 15 16 o 551.9749 21.43054 21.73302       1.670884  20.36629       2.564335  22.74140       2.202662  530.9734 34.30941 563.1537 27.72285 -32.18024      44.11000 
1 1 1 13 15 18 o 244.7006 51.54126 4.592036       1.728419  3.691138       2.343082  5.667467       2.560005  218.3049 68.29008 267.0261 67.66978 -48.72122      96.13914 
1 1 1 13 15 20 o 290.1051 45.84178 6.391277       1.819622  6.499826       2.554869  6.279532       2.592204  283.7923 65.01236 278.0402 66.72910 5.752106       93.16319 
1 1 1 13 15 22 f 238.4564 54.16647 4.531063       1.786164  4.594471       2.428896  4.456391       2.635807  234.5100 68.75079 230.4236 72.48038 4.086365       99.90033 
1 1 1 13 15 24 o 344.1794 50.73578 9.334056       2.397227  12.07652       3.473913  6.840909       3.312243  378.7654 67.27243 273.3405 80.32585 105.4249       104.7751 
1 1 1 13 15 26 o 380.9666 39.31355 11.17122       2.089169  10.96690       2.625136  11.52417       3.450225  366.9117 52.01179 357.5292 70.69523 9.382507       87.76698 
1 1 1 13 15 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 15 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 16 1  o 211.8159 37.80994 3.306288       1.091816  2.671404       1.536729  3.953435       1.551500  189.6532 54.41915 229.8452 49.18370 -40.19202      73.35176 
1 1 1 13 16 3  o 272.5732 34.04560 5.389618       1.284742  6.759356       1.802313  3.974623       1.831845  303.7617 43.13692 229.4037 56.74258 74.35802       71.27773 
1 1 1 13 16 5  o 301.9695 27.87074 6.552054       1.177622  7.080638       1.689033  6.052042       1.642749  311.8236 39.13414 287.3665 41.60277 24.45706       57.11630 
1 1 1 13 16 7  o 412.0919 21.75377 12.10476       1.264175  12.35460       1.757080  11.83665       1.820219  414.9636 30.12515 405.7733 31.95486 9.190308       43.91626 
1 1 1 13 16 9  o 537.5292 18.78672 20.54457       1.426936  20.65447       1.974322  20.42438       2.064697  537.7797 26.01862 534.5036 27.38647 3.276123       37.77549 
1 1 1 13 16 11 o 193.8391 48.15724 2.832322       1.315176  3.442279       2.006305  2.372726       1.741548  213.6068 62.44625 181.8317 59.09949 31.77518       85.97840 
1 1 1 13 16 13 o 511.3386 22.23186 18.65098       1.604963  18.75651       2.479387  18.57486       2.105654  509.9164 34.56205 508.7791 29.36889 1.137299       45.35490 
1 1 1 13 16 15 o 452.0023 25.36782 14.63861       1.616208  15.93215       2.664808  13.88592       2.032755  467.1854 40.71100 438.2938 33.01447 28.89154       52.41508 
1 1 1 13 16 17 o 309.1501 44.35305 7.135345       1.884993  9.653717       2.364851  2.747478       3.121552  359.0926 47.71452 205.8177 77.99096 153.2748       91.42902 
1 1 1 13 16 19 o 322.6913 40.92438 7.779883       1.826940  11.02568       2.522650  4.199802       2.649373  381.6241 47.75141 227.8190 72.79034 153.8051       87.05534 
1 1 1 13 16 21 o 361.9098 36.93713 9.741838       1.865339  6.582073       2.486496  13.80905       2.821037  283.4521 63.55765 425.0688 47.71837 -141.6166      79.47715 
1 1 1 13 16 23 o 129.8273 55.69687 0.3025577      1.833603  -1.045475      2.256118  2.925418       3.147017  123.1271 56.58444 197.8782 77.42431 -74.75113      95.89745 
1 1 1 13 16 25 o 116.9122 54.26844 -1.118204      2.152021  -2.346316      3.024080  0.1418296      3.063129  127.8705 60.86671 152.2639 68.35810 -24.39333      91.52915 
1 1 1 13 16 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 16 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 17 0  o 566.9929 25.51160 22.95656       2.037619  22.95656       2.037619  22.95656       2.037619  566.9929 25.51160 566.9929 25.51160 0.000000       0.000000 
1 1 1 13 17 2  o 541.6387 21.10183 20.88002       1.614425  20.17057       2.230978  21.65993       2.339145  530.8046 29.81882 550.0374 30.16553 -19.23273      42.41605 
1 1 1 13 17 4  o 451.4885 20.83656 14.51701       1.327761  13.27169       1.857232  15.81889       1.898938  429.9882 30.72281 470.0322 28.68376 -40.04398      42.03152 
1 1 1 13 17 6  o 256.7310 33.71609 4.796574       1.195420  4.575140       1.658115  5.036240       1.725028  247.1069 49.14476 259.6533 48.73367 -12.54646      69.21111 
1 1 1 13 17 8  o 508.6101 19.86980 18.41146       1.427453  18.32868       1.969586  18.50305       2.071732  506.1017 27.60353 508.2348 28.92317 -2.133118      39.98130 
1 1 1 13 17 10 o 164.4864 50.28085 1.983500       1.278781  0.3212071      1.726567  4.003422       1.903255  132.1480 55.23540 228.9739 58.52092 -96.82591      80.47141 
1 1 1 13 17 12 o 118.2504 48.62445 0.3713894      1.307817  1.604850       2.020516  -0.5179872     1.715705  166.7297 62.84320 116.8220 51.88756 49.90765       81.49593 
1 1 1 13 17 14 o 133.2853 52.07087 0.8505976      1.421625  -1.858671      2.213010  2.754188       1.855001  117.0154 54.55736 192.2019 60.85010 -75.18655      81.72662 
1 1 1 13 17 16 o 230.3302 46.18417 4.032714       1.452993  3.134905       2.252182  4.672822       1.901682  203.7160 67.26553 245.2220 56.02684 -41.50606      87.54232 
1 1 1 13 17 18 o 400.5246 32.84337 11.73234       1.845307  12.38763       2.517441  10.97140       2.712814  406.2891 44.51057 378.2141 52.06285 28.07498       68.49622 
1 1 1 13 17 20 o 129.2015 54.13786 0.4647548      1.664853  3.456801       2.254349  -3.124805      2.469208  206.4649 67.24939 110.7990 53.33747 95.66592       85.83337 
1 1 1 13 17 22 o 116.5797 51.59452 -0.2086368     1.681406  -0.7571048     2.268602  0.4598839      2.504610  126.9057 57.71763 149.1346 64.54462 -22.22888      86.58714 
1 1 1 13 17 24 o 107.7156 49.75957 -0.9341688     1.777102  -2.128405      2.271374  0.9505924      2.853460  110.3924 52.60426 158.8929 68.83031 -48.50043      86.63036 
1 1 1 13 17 26 o 152.7330 68.75453 0.5164015      3.122330  1.259189       4.482362  -0.1837488     4.351815  175.7844 80.40006 162.8929 76.13141 12.89143       110.7256 
1 1 1 13 17 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 18 1  o 295.2032 30.30743 6.290346       1.248202  5.477385       1.742326  7.147493       1.789049  271.3947 47.06916 312.3799 41.49398 -40.98523      62.74755 
1 1 1 13 18 3  o 327.7115 31.54364 7.749775       1.444878  6.820502       2.022116  8.719164       2.065301  303.0517 48.80594 345.0232 43.24492 -41.97153      65.20846 
1 1 1 13 18 5  o 184.3487 46.66620 2.557004       1.218413  2.335624       1.694164  2.794181       1.753563  180.1980 58.26816 193.9489 58.79809 -13.75096      82.77919 
1 1 1 13 18 7  o 540.9809 19.69104 20.83006       1.505030  21.56340       2.116537  20.08000       2.140535  548.9695 27.32911 529.4039 28.67740 19.56567       39.61406 
1 1 1 13 18 9  o 544.2827 19.79410 21.09391       1.522145  21.12833       2.115430  21.05696       2.191882  543.1316 27.61221 541.9543 28.68030 1.177307       39.81198 
1 1 1 13 18 11 o 365.5747 29.09466 9.626946       1.492843  8.092690       2.235630  10.86156       2.005471  329.3151 49.49987 386.4017 37.13044 -57.08658      61.87816 
1 1 1 13 18 13 o 191.8506 52.77878 2.811230       1.477713  1.286008       2.300604  3.882434       1.928020  165.3260 65.72736 223.7789 59.75555 -58.45294      88.83024 
1 1 1 13 18 15 o 191.1662 52.41607 2.819616       1.460231  3.581203       2.217453  2.236487       1.940337  214.2227 66.34315 177.8984 62.36844 36.32426       91.05622 
1 1 1 13 18 17 o 175.7884 57.45883 2.346005       1.645015  3.028281       2.189279  1.461288       2.493007  197.7601 66.34708 168.9885 68.00040 28.77158       95.00520 
1 1 1 13 18 19 o 184.3726 58.33153 2.687363       1.704882  2.782381       2.222949  2.551639       2.656775  189.8770 66.74146 189.3031 71.90043 0.5739136      98.10246 
1 1 1 13 18 21 o 311.3360 42.85880 7.443662       1.838327  7.030833       2.188791  8.432164       3.386944  295.7444 54.29620 306.1161 77.97639 -10.37173      95.01787 
1 1 1 13 18 23 o 125.8125 54.19030 0.3287302      1.748912  1.505898       2.208611  -1.650413      2.863773  156.9948 63.70560 130.3871 61.20190 26.60767       88.34068 
1 1 1 13 18 25 o 148.5599 57.78952 1.621395       1.745020  2.173852       2.178907  0.6332915      2.914007  164.7940 64.44014 150.6710 67.22781 14.12297       93.12416 
1 1 1 13 18 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 18 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 19 0  o 200.0786 68.97184 3.750887       1.758159  3.750887       1.758159  3.750887       1.758159  200.0786 68.97184 200.0786 68.97184 -0.000000      0.000000 
1 1 1 13 19 2  o 122.8519 50.11431 0.4555452      1.375307  -0.9743160     1.906825  2.005860       1.985517  117.4748 53.22538 175.7659 62.94714 -58.29113      82.43352 
1 1 1 13 19 4  o 98.15771 43.56752 -0.3902382     1.207510  -0.9398592     1.646794  0.2489054      1.775852  107.9643 49.13124 132.3267 55.70902 -24.36240      74.27903 
1 1 1 13 19 6  o 448.0259 22.43068 14.33043       1.417692  16.22665       2.000242  12.41637       2.009630  475.2434 29.89180 414.3450 34.58678 60.89841       45.71395 
1 1 1 13 19 8  o 535.5012 20.49799 20.43848       1.550561  20.34377       2.162646  20.53866       2.224302  532.3952 28.81062 534.7632 29.50522 -2.368042      41.23845 
1 1 1 13 19 10 o 283.4884 36.76486 5.894029       1.440280  6.459187       2.192157  5.464771       1.910496  291.2022 55.21328 268.2607 52.20246 22.94153       75.98422 
1 1 1 13 19 12 o 174.0241 53.64576 2.267369       1.451850  3.387490       2.219516  1.429630       1.919465  210.4566 66.55213 159.2413 60.96112 51.21530       90.25212 
1 1 1 13 19 14 o 177.3573 54.01843 2.399115       1.477726  2.088574       2.224455  2.644408       1.977002  178.1447 66.18334 188.1240 63.04769 -9.979355      91.40704 
1 1 1 13 19 16 o 149.6440 52.41835 1.575350       1.370422  1.062140       2.075577  1.971998       1.824709  152.3835 61.78545 167.4537 60.29826 -15.07024      86.33262 
1 1 1 13 19 18 o 156.0519 57.68344 1.660280       1.685906  2.549171       2.195755  0.3836767      2.631405  183.8519 66.15278 152.5160 66.08282 31.33595       93.50471 
1 1 1 13 19 20 f 148.0374 56.31171 1.436730       1.631141  2.025405       2.189459  0.7024765      2.445240  170.0079 65.10136 150.9613 64.53119 19.04660       91.66495 
1 1 1 13 19 22 o 147.0212 56.04321 1.493822       1.617763  2.980628       2.118784  -0.5847185     2.505178  187.3990 65.20889 132.5304 60.42161 54.86861       88.89865 
1 1 1 13 19 24 o 191.9004 58.22178 3.276793       1.718901  4.179247       2.132346  1.602208       2.904685  211.5637 64.97666 162.5869 69.93139 48.97682       95.45871 
1 1 1 13 19 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 19 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 20 1  o 246.8515 39.88147 4.507953       1.345761  6.971969       1.912354  2.090588       1.894164  306.6422 45.44040 175.7910 61.62249 130.8512       76.56476 
1 1 1 13 20 3  o 130.7111 52.15446 0.6907000      1.453704  -1.629456      2.027467  3.145473       2.085455  113.3649 52.63992 205.0986 64.46495 -91.73378      83.22675 
1 1 1 13 20 5  o 250.6647 39.17485 4.644269       1.344245  4.184093       1.913724  5.092454       1.888623  233.1677 58.18526 258.7206 53.35426 -25.55293      78.94429 
1 1 1 13 20 7  f 252.7634 38.65779 4.721764       1.338960  8.434049       1.929033  1.270407       1.860005  338.6326 41.09224 155.0147 59.83696 183.6179       72.58811 
1 1 1 13 20 9  o 290.7222 34.39011 6.179885       1.387555  6.965589       1.969023  5.404821       1.955645  304.8892 47.15441 265.6478 53.86470 39.24139       71.58871 
1 1 1 13 20 11 f 335.4671 32.45531 8.198339       1.521611  8.364020       2.325936  8.074383       2.011840  332.1489 51.11850 328.9094 44.35040 3.239502       67.67614 
1 1 1 13 20 13 o 106.6873 47.44907 -0.3938630     1.439552  -0.3913413     2.203656  -0.3957402     1.901311  132.9634 58.94453 123.3618 54.71650 9.601601       80.42607 
1 1 1 13 20 15 o 105.9272 46.84074 -0.2723165     1.383024  -2.945025      2.029191  2.046305       1.890001  98.27821 47.56561 169.6859 61.33251 -71.40764      77.61549 
1 1 1 13 20 17 o 154.5239 56.11256 1.678217       1.584378  2.786424       2.050582  0.3663426E-01  2.495732  187.8178 64.20226 144.0675 63.34533 43.75031       90.19180 
1 1 1 13 20 19 f 111.9678 49.34866 -0.1389310     1.523069  -1.173398      1.928882  1.574100       2.482160  110.9944 51.47201 165.3291 67.36900 -54.33472      84.78178 
1 1 1 13 20 21 o 127.0755 52.97821 0.6484696      1.582287  0.3201613      2.089509  1.089813       2.422654  134.1079 58.48758 153.0399 64.78092 -18.93205      87.27752 
1 1 1 13 20 23 o 171.0977 65.22543 2.508675       2.191401  1.429050       3.094211  3.595164       3.104030  162.0541 70.91366 193.3260 76.51043 -31.27191      104.3197 
1 1 1 13 20 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 20 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 21 0  o 122.1649 70.30095 1.420064       1.946581  1.420064       1.946581  1.420064       1.946581  122.1649 70.30095 122.1649 70.30095 -0.000000      0.000000 
1 1 1 13 21 2  o 147.3471 55.26816 1.260725       1.558646  1.181208       2.170552  1.345381       2.239586  160.5457 63.83746 165.3679 65.13103 -4.822189      91.19909 
1 1 1 13 21 4  o 187.2572 50.19121 2.671885       1.357074  2.719358       1.928063  2.625277       1.910444  191.6267 62.17624 188.9524 61.93067 2.674347       87.75701 
1 1 1 13 21 6  f 72.58566 35.81044 -2.824479      1.324324  -2.717762      1.882592  -2.929021      1.863311  96.34708 46.42903 93.75468 45.42486 2.592400       64.95438 
1 1 1 13 21 8  o 147.5231 52.62500 1.437631       1.386336  2.466078       1.946519  0.3789304      1.974941  184.1649 62.55975 139.3543 58.71281 44.81065       85.79578 
1 1 1 13 21 10 o 129.6921 51.41460 0.7731487      1.403944  1.621455       2.081189  0.6473597E-01  1.901859  165.4640 63.44366 131.0532 56.47945 34.41080       84.94131 
1 1 1 13 21 12 f 196.9881 51.43467 3.043779       1.449120  3.179508       2.179699  2.936268       1.939924  201.2803 66.16083 193.8724 62.32126 7.407928       90.89111 
1 1 1 13 21 14 f 165.9276 53.33689 2.116666       1.420920  0.6757627      2.066988  3.407678       1.956527  143.9872 60.32742 204.8891 62.10622 -60.90195      86.58279 
1 1 1 13 21 16 o 150.4399 52.03326 1.669263       1.348132  1.815416       2.006139  1.548913       1.820451  163.8813 62.42355 154.8416 59.34513 9.039673       86.13097 
1 1 1 13 21 18 o 125.7727 52.75554 0.5150796      1.583421  -0.4997590     2.046803  2.027656       2.498827  122.8567 55.45369 172.9430 68.58269 -50.08631      88.19691 
1 1 1 13 21 20 o 147.9086 55.72435 1.575701       1.588282  2.368913       2.015185  0.2749480      2.580584  171.4302 63.11862 143.8457 63.77685 27.58447       89.72985 
1 1 1 13 21 22 o 164.1259 65.06454 2.176331       2.248331  0.6255862      3.202476  3.683582       3.157247  153.4677 69.30865 193.7619 77.00919 -40.29420      103.6055 
1 1 1 13 21 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 21 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 22 1  o 202.8878 50.63812 3.166702       1.449280  3.464637       2.065678  2.877870       2.033875  211.4174 63.75741 195.7973 63.88319 15.62013       90.25558 
1 1 1 13 22 3  o 108.4792 48.69154 -0.5960891     1.553297  -0.8204281     2.223143  -0.3821175     2.171167  128.8880 58.01849 133.2357 58.81283 -4.347717      82.61413 
1 1 1 13 22 5  f 272.5399 39.97928 5.529011       1.496179  6.210853       2.200658  4.942938       2.040266  282.7835 56.96098 251.1502 58.49606 31.63326       81.64767 
1 1 1 13 22 7  o 231.6792 44.65053 4.084411       1.410893  2.167869       2.020215  5.909253       1.971292  176.6752 63.46802 276.8546 52.22745 -100.1794      82.19425 
1 1 1 13 22 9  o 100.3510 45.78666 -0.7826274     1.442197  -0.6623588     2.157459  -0.8797846     1.939117  127.4644 57.28501 117.4836 53.40482 9.980759       78.31760 
1 1 1 13 22 11 o 133.6972 51.32883 1.026333       1.363438  -0.9457312     2.017624  2.683773       1.849688  118.5260 54.10864 185.5775 60.94421 -67.05148      81.49811 
1 1 1 13 22 13 o 176.1287 51.84171 2.455633       1.378718  3.667595       2.130946  1.583015       1.808174  210.5552 65.00703 155.9882 59.30001 54.56702       87.99094 
1 1 1 13 22 15 f 131.3961 50.74306 1.020365       1.338049  1.386519       2.028303  0.7382411      1.780412  154.5157 61.62119 136.2001 56.43990 18.31557       83.56216 
1 1 1 13 22 17 o 120.6277 51.51133 0.3157619      1.555184  0.6679449      1.968825  -0.2685860     2.536055  138.1361 58.43214 138.0899 62.08029 0.4620361E-01  85.25419 
1 1 1 13 22 19 o 190.3234 62.92377 3.181684       1.970624  2.270325       3.118818  3.787321       2.542443  178.1192 74.32791 202.8130 71.36951 -24.69380      103.0449 
1 1 1 13 22 21 o 110.6855 52.28806 -1.391566      2.151033  -3.333374      3.058721  0.5084012      3.025589  117.1873 57.10191 148.7610 67.25764 -31.57366      88.22823 
1 1 1 13 22 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 22 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 23 0  o 157.9992 77.54714 2.770987       2.060531  2.770987       2.060531  2.770987       2.060531  157.9992 77.54714 157.9992 77.54714 -0.000000      0.000000 
1 1 1 13 23 2  o 213.6544 53.46337 3.571072       1.612480  5.302619       2.332682  1.986530       2.231467  256.9357 64.30955 175.5450 66.06911 81.39066       92.20003 
1 1 1 13 23 4  o 241.9746 43.13892 4.444515       1.423083  3.401963       1.987192  5.542020       2.038892  207.2881 62.53931 265.5851 56.01223 -58.29701      83.95555 
1 1 1 13 23 6  o 101.8556 45.83110 -0.5321815     1.385639  0.3665811      1.927899  -1.492568      1.992896  135.9785 57.68383 111.5814 51.93972 24.39710       77.62190 
1 1 1 13 23 8  o 151.2306 52.78387 1.633510       1.388848  3.163637       2.034614  0.2984616      1.900494  199.0957 63.80688 133.3585 56.94557 65.73721       85.52261 
1 1 1 13 23 10 o 77.15021 37.75804 -2.477597      1.380451  -1.720736      2.102495  -3.051117      1.830211  111.6864 52.42911 89.91991 43.89322 21.76646       68.37709 
1 1 1 13 23 12 f 126.3866 50.19080 0.8122085      1.340095  1.700296       2.003878  0.9369145E-01  1.802445  161.0931 62.12801 125.4887 54.53006 35.60442       82.66449 
1 1 1 13 23 14 o 165.3411 51.44214 2.179130       1.331487  2.535354       1.993057  1.891992       1.789380  178.6190 63.16052 160.9561 59.43961 17.66289       86.73130 
1 1 1 13 23 16 o 146.7419 51.62607 1.628259       1.330288  2.258430       1.994786  1.123534       1.785231  169.9963 62.76200 141.9631 57.39498 28.03322       85.04853 
1 1 1 13 23 18 o 195.5443 61.50339 3.412405       1.897931  5.102614       2.949491  2.217987       2.479448  225.7478 77.00300 169.6574 67.97180 56.09041       102.7114 
1 1 1 13 23 20 o 105.6588 50.31245 -1.630262      2.070147  4.058061       3.126130  -6.072863      2.762699  196.7907 77.11734 95.17887 47.71120 101.6118       90.68320 
1 1 1 13 23 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 23 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 24 1  o 128.1508 51.08600 0.7726479      1.393482  1.702721       1.979020  -0.1419129     1.962447  163.0298 62.02378 128.0751 56.24715 34.95468       83.72987 
1 1 1 13 24 3  o 160.6083 52.95312 1.943716       1.395904  0.6728368      1.950709  3.277450       1.998367  141.2836 58.85641 201.8226 63.05688 -60.53899      86.25687 
1 1 1 13 24 5  o 158.2738 52.80613 1.882676       1.387092  1.232998       1.901264  2.621975       2.028167  150.6580 59.79799 184.4233 63.81978 -33.76535      87.45721 
1 1 1 13 24 7  o 103.1287 45.47374 -0.2016647     1.294665  -0.4506359E-02 1.814802  -0.4059918     1.847501  124.7294 54.45042 119.5220 53.41583 5.207367       76.27646 
1 1 1 13 24 9  o 85.48838 40.56350 -1.420035      1.321998  -0.9894158     1.922410  -1.806375      1.820892  113.5543 52.20242 100.6506 47.71352 12.90369       70.72251 
1 1 1 13 24 11 o 79.61250 38.50266 -1.922507      1.323323  -0.7625243     2.005062  -2.817730      1.761439  118.4608 54.02561 88.65074 43.22692 29.81009       69.19056 
1 1 1 13 24 13 f 138.2704 51.15394 1.324724       1.326330  0.8111468E-01  1.956170  2.382886       1.804432  127.9759 56.18182 172.3873 60.16523 -44.41138      82.31799 
1 1 1 13 24 15 o 172.3487 49.95304 2.449195       1.288774  0.6503851      1.924074  3.912954       1.735658  135.0110 57.46318 214.0178 56.48879 -79.00674      80.57915 
1 1 1 13 24 17 o 135.0376 57.27533 0.8302868      1.900166  -3.515981      2.830760  4.394737       2.563546  111.8822 54.60822 211.4790 71.79424 -99.59687      90.20239 
1 1 1 13 24 19 o 123.4659 55.89036 -0.4436908E-01 2.096984  0.6517151      2.997193  -0.7118441     2.934954  147.5469 66.80220 132.9904 62.27442 14.55647       91.32710 
1 1 1 13 24 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 24 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 25 0  o 87.11759 58.51115 -0.5810435     2.039101  -0.5810435     2.039101  -0.5810435     2.039101  87.11759 58.51115 87.11759 58.51115 -0.000000      0.000000 
1 1 1 13 25 2  o 162.7762 57.56683 1.970936       1.655716  7.541554       2.464211  -2.613741      2.235530  303.9359 59.42003 106.9594 51.29692 196.9765       78.49914 
1 1 1 13 25 4  o 118.0890 49.19759 0.4308101      1.363138  -0.9482260     1.885244  1.941689       1.973307  112.8184 51.80206 165.8451 62.19096 -53.02670      80.93929 
1 1 1 13 25 6  o 127.1451 49.90874 0.8864821      1.311219  1.315629       1.845075  0.4486023      1.863753  149.3639 59.02711 132.8915 56.55796 16.47240       81.74963 
1 1 1 13 25 8  o 84.43434 40.15165 -1.434642      1.309472  -2.399304      1.916386  -0.5897615     1.793466  97.65659 47.00528 113.9040 51.61214 -16.24744      69.80909 
1 1 1 13 25 10 o 83.69735 39.78909 -1.382565      1.283976  -0.3930427     1.892173  -2.227055      1.748016  119.1455 53.58847 92.93238 44.77224 26.21308       69.83035 
1 1 1 13 25 12 o 103.4627 45.39555 -0.5380585E-01 1.275566  -0.1981349     1.884236  0.6829465E-01  1.733074  120.8676 53.98579 120.6210 52.91927 0.2466202      75.59705 
1 1 1 13 25 14 o 112.9678 49.28470 0.1273141      1.484769  2.141431       2.860984  -0.6151087     1.736996  172.3289 71.49046 109.2949 50.01204 63.03394       87.24729 
1 1 1 13 25 16 o 125.5020 54.60438 0.4610548      1.812104  0.1356627      3.023332  0.6434913      2.263800  144.3703 66.03146 137.5708 60.41472 6.799484       89.49912 
1 1 1 13 25 18 o 93.07498 45.71482 -3.081179      2.080132  -3.419045      2.940025  -2.742518      2.943480  112.0027 54.87526 116.3858 56.55332 -4.383102      78.80084 
1 1 1 13 25 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 25 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 26 1  o 100.8312 46.65861 -0.9729093     1.572295  -1.781836      2.260752  -0.2151060     2.188147  114.4416 53.92272 130.6232 58.27118 -16.18161      79.39263 
1 1 1 13 26 3  o 94.11864 43.64994 -0.9346356     1.387633  -1.798383      1.964934  -0.7531352E-01 1.959895  104.8854 49.67505 126.1787 55.77977 -21.29334      74.69266 
1 1 1 13 26 5  o 78.92049 38.19526 -1.900447      1.308137  -3.568112      1.776754  0.7359914E-01  1.933088  83.13151 41.09933 127.3623 55.88284 -44.23076      69.36892 
1 1 1 13 26 7  o 133.8571 50.88415 1.173897       1.331319  2.419725       1.995227  0.1740786      1.787408  173.9244 62.99578 124.4044 54.17754 49.51996       83.08835 
1 1 1 13 26 9  f 74.16891 36.33147 -2.255280      1.286773  -2.454304      1.855404  -2.070843      1.786116  94.05142 45.51106 95.18402 45.70250 -1.132599      64.49787 
1 1 1 13 26 11 o 98.23356 44.06314 -0.2897924     1.269685  0.2193396      1.899873  -0.7007086     1.706813  126.3726 55.42604 107.3480 49.29004 19.02460       74.17246 
1 1 1 13 26 13 o 88.61617 41.89444 -1.194086      1.385793  0.5030870      2.859751  -1.714926      1.584227  147.2522 66.08363 90.13522 43.21615 57.11698       78.96001 
1 1 1 13 26 15 o 182.0356 60.08161 3.110153       1.796869  4.010867       2.924583  2.563961       2.277420  193.8250 74.97430 167.9331 65.81798 25.89189       99.76549 
1 1 1 13 26 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 26 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 26 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 27 0  o 121.7500 70.13085 1.636193       1.940012  1.636193       1.940012  1.636193       1.940012  121.7500 70.13085 121.7500 70.13085 0.000000       0.000000 
1 1 1 13 27 2  o 120.1751 51.31655 0.3603714      1.543363  -0.1175046E-01 2.167707  0.7429305      2.197896  131.0086 58.24817 142.9802 61.15149 -11.97165      84.45327 
1 1 1 13 27 4  o 146.4096 52.07202 1.632369       1.356387  1.873788       1.915348  1.389497       1.921107  159.2126 60.90926 148.9665 59.78004 10.24606       85.34396 
1 1 1 13 27 6  o 89.80379 41.81004 -0.8942741     1.292275  0.1735680      1.905231  -1.804138      1.758662  126.2392 55.43163 96.48483 46.06312 29.75433       72.07272 
1 1 1 13 27 8  o 177.2515 49.40904 2.628712       1.285642  1.547583       1.863597  3.610501       1.775915  149.5492 59.25233 202.4389 58.62820 -52.88966      83.35529 
1 1 1 13 27 10 o 67.33256 33.79863 -3.734700      1.409788  -2.369280      2.802205  -4.197418      1.631268  118.9518 57.14840 72.66174 36.45738 46.29011       67.78702 
1 1 1 13 27 12 f 148.8064 59.44705 1.702196       1.890970  3.902362       2.924349  0.1211669      2.478971  193.0552 74.89068 133.3987 60.53830 59.65652       96.29901 
1 1 1 13 27 14 o 92.62336 44.67004 -1.849924      1.750945  -2.604205      2.618829  -1.240167      2.354611  109.5206 53.24627 114.5336 54.28381 -5.013016      76.03878 
1 1 1 13 27 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 27 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 27 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 28 1  o 110.3798 49.17024 -0.1249023     1.552254  -0.8732485     2.247590  0.5575426      2.146345  120.2200 55.68479 136.4647 59.40003 -16.24471      81.41965 
1 1 1 13 28 3  f 93.59219 43.11506 -0.6687286     1.320935  -0.8922284     1.891755  -0.4560755     1.845280  109.9255 50.97559 114.1145 51.96026 -4.189072      72.78996 
1 1 1 13 28 5  o 96.82405 43.83781 -0.3733676     1.290760  -1.848548      1.809379  1.155278       1.841876  96.60867 46.28409 139.7902 57.61620 -43.18151      73.90429 
1 1 1 13 28 7  o 132.1661 50.77116 1.249219       1.334517  1.525293       2.058959  1.049222       1.752458  148.7780 61.07594 134.9374 55.96285 13.84055       82.83786 
1 1 1 13 28 9  o 80.76135 39.27229 -1.982513      1.426605  -2.959019      2.787435  -1.635951      1.660571  112.0796 54.59025 92.47549 44.31353 19.60406       70.31205 
1 1 1 13 28 11 o 99.58198 47.19300 -1.224951      1.778847  -3.863074      2.829200  0.4997734      2.287578  106.0107 52.30844 132.1493 59.22058 -26.13864      79.01424 
1 1 1 13 28 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 28 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 28 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 28 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 29 0  o 64.15917 45.71591 -2.207055      1.826192  -2.207055      1.826192  -2.207055      1.826192  64.15917 45.71591 64.15917 45.71591 -0.000000      0.000000 
1 1 1 13 29 2  o 147.8660 51.42969 1.846332       1.317881  4.356007       1.875010  -0.6040272     1.852720  216.0877 59.45411 110.0676 50.83227 106.0201       78.22219 
1 1 1 13 29 4  o 79.00774 38.08207 -1.533350      1.268274  0.2501869      1.766824  -3.429299      1.821653  119.3280 52.84595 82.89077 41.09320 36.43722       66.94285 
1 1 1 13 29 6  o 152.6896 53.39590 2.056397       1.421645  0.6244514      2.628264  2.648631       1.690256  139.3471 62.87317 168.3359 58.26081 -28.98880      85.71673 
1 1 1 13 29 8  o 110.6629 50.64371 -0.2600075     1.781816  2.550739       2.854692  -2.053945      2.280615  164.7382 70.05022 104.8819 50.68024 59.85625       86.46109 
1 1 1 13 29 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 29 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 29 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 29 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 30 1  o 103.3087 46.83992 -0.1637513     1.479883  -0.7381992     2.071103  0.4354974      2.115338  111.4103 52.21548 126.4881 56.79467 -15.07771      77.14980 
1 1 1 13 30 3  o 105.2082 46.91755 0.7337719E-01  1.417277  0.9171876      2.211591  -0.5146402     1.846195  134.4188 59.34544 108.3131 50.27271 26.10567       77.77678 
1 1 1 13 30 5  o 102.4468 46.60763 -0.1979042     1.480695  1.570036       2.636934  -1.012053      1.789441  147.4852 64.97049 100.8353 47.65176 46.64983       80.57205 
1 1 1 13 30 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 30 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 30 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 30 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 30 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 31 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 32 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 32 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 32 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 32 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 32 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 33 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 33 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 33 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 13 33 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 0  0  f 1335.986 26.89792 126.5912       5.080929  126.5912       5.080929  126.5912       5.080929  1335.986 26.89792 1335.986 26.89792 0.000000       0.000000 
1 1 1 14 0  2  o 1304.855 18.93220 120.6861       3.494437  120.6861       3.494437  120.6861       3.494437  1304.855 18.93220 1304.855 18.93220 0.000000       0.000000 
1 1 1 14 0  4  o 90.92277 55.08880 0.5561504      1.310031  0.5561504      1.310031  0.5561504      1.310031  90.92277 55.08880 90.92277 55.08880 0.000000       0.000000 
1 1 1 14 0  6  o 991.5117 18.79398 69.70395       2.635023  69.70395       2.635023  69.70395       2.635023  991.5117 18.79398 991.5117 18.79398 0.000000       0.000000 
1 1 1 14 0  8  o 524.6552 23.29238 19.61852       1.721668  19.61852       1.721668  19.61852       1.721668  524.6552 23.29238 524.6552 23.29238 0.000000       0.000000 
1 1 1 14 0  10 o 425.1149 27.15414 12.96646       1.618184  12.96646       1.618184  12.96646       1.618184  425.1149 27.15414 425.1149 27.15414 0.000000       0.000000 
1 1 1 14 0  12 o 985.5771 20.09669 68.89601       2.800446  68.89601       2.800446  68.89601       2.800446  985.5771 20.09669 985.5771 20.09669 0.000000       0.000000 
1 1 1 14 0  14 o 1352.509 23.95525 129.8146       4.581981  129.8146       4.581981  129.8146       4.581981  1352.509 23.95525 1352.509 23.95525 0.000000       0.000000 
1 1 1 14 0  16 o 205.9634 83.91886 4.270947       2.402221  4.270947       2.402221  4.270947       2.402221  205.9634 83.91886 205.9634 83.91886 -0.000000      0.000000 
1 1 1 14 0  18 o 156.4675 78.91551 2.620422       2.160877  2.620422       2.160877  2.620422       2.160877  156.4675 78.91551 156.4675 78.91551 0.000000       0.000000 
1 1 1 14 0  20 o 624.0312 32.68316 27.94498       2.868173  27.94498       2.868173  27.94498       2.868173  624.0312 32.68316 624.0312 32.68316 -0.000000      0.000000 
1 1 1 14 0  22 o 171.7549 87.73434 3.248969       2.690121  3.248969       2.690121  3.248969       2.690121  171.7549 87.73434 171.7549 87.73434 0.000000       0.000000 
1 1 1 14 0  24 o 495.0479 43.34003 18.07543       2.980517  18.07543       2.980517  18.07543       2.980517  495.0479 43.34003 495.0479 43.34003 -0.000000      0.000000 
1 1 1 14 0  26 o 615.3579 38.31344 27.63836       3.306574  27.63836       3.306574  27.63836       3.306574  615.3579 38.31344 615.3579 38.31344 0.000000       0.000000 
1 1 1 14 0  28 o 195.5590 99.52984 4.724625       3.454634  4.724625       3.454634  4.724625       3.454634  195.5590 99.52984 195.5590 99.52984 -0.000000      0.000000 
1 1 1 14 0  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 0  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 1  1  o 1504.535 13.72913 160.3590       2.923245  160.7555       4.150420  159.9686       4.117957  1505.519 19.47986 1501.849 19.37473 3.670166       27.47444 
1 1 1 14 1  3  o 415.8459 19.05090 12.28799       1.118182  10.15994       1.559652  14.53871       1.603975  376.8311 29.48014 451.7489 25.18859 -74.91782      38.77555 
1 1 1 14 1  5  o 568.2463 15.81598 22.89774       1.270662  22.66910       1.819639  23.11535       1.775161  564.7462 22.81430 570.3713 22.03321 -5.625183      31.71679 
1 1 1 14 1  7  o 821.6613 13.94503 47.81953       1.621557  47.72473       2.300558  47.91313       2.285967  820.4333 19.81391 822.0647 19.64917 -1.631409      27.90485 
1 1 1 14 1  9  o 513.7478 17.15922 18.72368       1.245826  19.43495       1.751179  17.99477       1.772748  522.8320 23.72914 502.9123 24.98601 19.91974       34.45828 
1 1 1 14 1  11 o 1312.217 14.87383 121.9807       2.762157  122.8877       3.685631  120.8184       4.171983  1316.517 19.78179 1304.990 22.58997 11.52686       30.02709 
1 1 1 14 1  13 o 2195.415 16.82583 341.6457       5.227728  338.9204       7.321989  344.4796       7.466373  2184.785 23.68103 2202.543 23.95331 -17.75806      33.68312 
1 1 1 14 1  15 o 794.2163 15.66494 44.71725       1.760708  44.59626       2.521834  44.83232       2.459376  792.0405 22.52115 794.2352 21.90134 -2.194702      31.41450 
1 1 1 14 1  17 o 334.9764 31.11685 8.074312       1.458262  7.635150       2.067433  8.509134       2.057193  322.2853 46.68655 341.3280 43.58030 -19.04269      63.86608 
1 1 1 14 1  19 o 851.4188 19.91771 51.50368       2.399951  57.44103       3.476010  46.09512       3.317614  897.1259 27.41054 803.0811 29.23966 94.04486       40.07861 
1 1 1 14 1  21 o 724.8767 22.58567 37.46250       2.314125  39.58020       3.335472  35.49712       3.213280  742.3818 31.82136 702.7871 32.39476 39.59467       45.40947 
1 1 1 14 1  23 o 573.1023 27.69722 23.62024       2.239754  22.42146       3.111569  24.90924       3.226541  553.5354 39.99006 583.9084 39.27408 -30.37299      56.05049 
1 1 1 14 1  25 o 849.5347 23.01080 51.77228       2.763965  50.25339       3.895640  53.31193       3.922168  830.8911 33.19632 856.3871 32.42061 -25.49609      46.40142 
1 1 1 14 1  27 o 231.3743 58.26564 4.337450       1.906451  6.167251       2.833452  2.823871       2.577012  268.7863 72.73415 194.0652 71.38993 74.72113       101.9156 
1 1 1 14 1  29 o 229.1830 69.27058 4.646048       2.436411  1.467862       3.470090  7.736091       3.421633  177.2654 76.34205 286.1455 80.90741 -108.8801      111.2390 
1 1 1 14 1  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 1  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 2  0  o 290.0232 36.24351 6.246848       1.424856  6.246848       1.424856  6.246848       1.424856  290.0232 36.24351 290.0232 36.24351 0.000000       0.000000 
1 1 1 14 2  2  o 491.0103 16.93175 17.10886       1.174794  17.34015       1.686157  16.89066       1.637722  493.5864 24.21266 487.1769 23.82609 6.409485       33.96962 
1 1 1 14 2  4  f 515.8468 16.75414 18.87865       1.221479  20.68547       1.743308  17.13618       1.711983  539.4026 22.88916 490.6508 24.73491 48.75183       33.70058 
1 1 1 14 2  6  o 1129.240 13.39901 90.31722       2.141306  90.42759       3.023648  90.20618       3.032902  1129.403 18.91745 1128.010 18.99878 1.392578       26.81088 
1 1 1 14 2  8  o 1080.912 13.67005 82.75043       2.091127  82.64422       2.969217  82.85494       2.945527  1079.712 19.43185 1081.106 19.25196 -1.394165      27.35388 
1 1 1 14 2  10 o 1519.635 15.28537 163.5950       3.287269  159.1310       4.260623  170.1608       5.167258  1498.130 20.09573 1548.599 23.57770 -50.46899      30.97978 
1 1 1 14 2  12 o 961.2064 15.26845 65.46196       2.076975  62.03056       3.104344  68.24275       2.794588  934.5510 23.49045 980.9382 20.13058 -46.38721      30.93609 
1 1 1 14 2  14 f 103.7101 43.28483 0.1586586      1.057952  0.3531640      1.470151  -0.5025205E-01 1.523620  124.7794 51.45670 118.5742 50.81826 6.205200       72.32072 
1 1 1 14 2  16 o 522.6871 20.70099 19.43072       1.528245  18.92721       2.377483  19.78525       1.995008  513.8665 32.86470 526.5330 26.86191 -12.66650      42.44585 
1 1 1 14 2  18 o 344.6704 32.51783 8.562957       1.567407  7.892497       2.266080  9.177948       2.170316  326.4753 50.68936 354.2994 44.24635 -27.82407      67.28410 
1 1 1 14 2  20 o 772.4368 23.32543 42.52063       2.546915  41.33533       3.319081  44.21811       3.971972  759.5427 30.94254 783.9598 35.89604 -24.41711      47.39163 
1 1 1 14 2  22 f 1194.245 19.75197 101.5258       3.338287  99.96690       4.730882  103.0719       4.711279  1181.336 28.29755 1199.824 27.74607 -18.48779      39.63074 
1 1 1 14 2  24 o 287.8871 51.19794 6.353934       2.009459  6.121721       2.859006  6.580641       2.824908  273.7155 72.61900 284.6831 70.49218 -10.96762      101.2061 
1 1 1 14 2  26 o 109.8708 50.69052 -1.160442      1.835739  -2.309905      2.540600  0.9530506E-01  2.655462  120.5104 56.89811 150.7304 65.83195 -30.22009      87.01287 
1 1 1 14 2  28 f 529.9997 32.99565 20.73779       2.462593  20.20067       3.109401  21.64158       4.033448  515.7160 42.99438 522.5375 55.38532 -6.821472      70.11455 
1 1 1 14 2  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 2  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 3  1  o 94.28799 39.96962 0.2998984E-01  0.9245130 1.057214       1.311387  -0.9850175     1.303566  137.2268 50.84718 93.19168 42.89435 44.03513       66.52338 
1 1 1 14 3  3  o 1737.087 14.48130 213.7714       3.559990  211.5110       5.009070  216.0784       5.060496  1726.848 20.49666 1745.396 20.48705 -18.54724      28.97986 
1 1 1 14 3  5  o 1030.989 13.42940 75.28626       1.959432  73.45482       2.736411  77.21349       2.807050  1017.881 18.99611 1043.597 19.00630 -25.71643      26.87176 
1 1 1 14 3  7  o 645.2284 15.12659 29.49280       1.381256  29.77510       1.935725  29.19995       1.971551  647.6112 21.14912 641.2573 21.75632 6.353943       30.34176 
1 1 1 14 3  9  o 793.7126 14.14856 44.62104       1.589262  46.02895       2.266497  43.25924       2.229080  805.7553 19.87615 780.8540 20.18834 24.90131       28.33073 
1 1 1 14 3  11 o 596.2203 16.18896 25.20679       1.364719  25.07343       1.901569  25.34842       1.959756  594.0406 22.66069 597.2316 23.23103 -3.190979      32.45285 
1 1 1 14 3  13 o 1347.538 14.42128 128.6601       2.750202  127.8791       3.909964  129.4249       3.869104  1342.526 20.57928 1350.675 20.24137 -8.148804      28.86555 
1 1 1 14 3  15 o 1370.328 14.79351 133.1010       2.868900  133.3517       4.091485  132.8585       4.023836  1370.408 21.09654 1367.941 20.78515 2.467163       29.61564 
1 1 1 14 3  17 f 175.3537 53.30682 2.247586       1.439967  1.377218       2.038984  3.113592       2.033868  163.5291 62.77285 205.7472 63.50666 -42.21815      89.29461 
1 1 1 14 3  19 o 571.4961 26.68445 23.33376       2.152239  22.25271       3.406383  24.05207       2.776686  553.5806 43.83798 578.5247 34.06524 -24.94409      55.51765 
1 1 1 14 3  21 o 477.4467 30.14994 16.39039       2.026785  18.21653       2.924668  14.70307       2.811305  499.9356 41.71727 447.7030 44.97968 52.23254       61.34739 
1 1 1 14 3  23 o 494.4722 29.71504 17.65182       2.069806  22.97088       3.053673  13.13125       2.815149  560.5916 38.72877 419.1682 48.34065 141.4234       61.94139 
1 1 1 14 3  25 f 472.9277 31.80301 16.29795       2.116169  15.11996       2.930143  17.58223       3.059474  447.9250 46.91896 484.3745 45.15204 -36.44952      65.11601 
1 1 1 14 3  27 o 160.1442 60.61858 1.683403       1.884593  1.909736       2.678784  1.461597       2.651854  177.6446 70.82574 169.5863 69.43179 8.058304       99.18195 
1 1 1 14 3  29 o 147.2783 67.62045 -0.7777237     3.211699  -6.727502      4.608853  4.839076       4.478030  135.9246 67.01075 227.4326 91.26885 -91.50798      113.2274 
1 1 1 14 3  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 3  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 4  0  o 768.6680 19.68650 41.93737       2.138370  41.93737       2.138370  41.93737       2.138370  768.6680 19.68650 768.6680 19.68650 0.000000       0.000000 
1 1 1 14 4  2  f 689.3733 14.45665 33.66751       1.410398  35.72717       2.033896  31.75967       1.957505  709.4549 20.27823 668.8238 20.70594 40.63110       28.98176 
1 1 1 14 4  4  o 465.8686 17.78243 15.40586       1.170243  15.39806       1.652757  15.41370       1.657200  465.0128 25.20875 465.2432 25.26432 -0.2303772     35.68987 
1 1 1 14 4  6  o 572.0086 15.92363 23.20026       1.287780  23.34821       1.804289  23.04662       1.838587  573.2661 22.28219 569.4856 22.85941 3.780457       31.92254 
1 1 1 14 4  8  f 831.7141 15.25398 49.00417       1.795465  52.84240       2.854995  46.49300       2.309286  862.6917 23.40623 809.7799 20.15073 52.91174       30.88533 
1 1 1 14 4  10 o 524.3574 17.23145 19.50588       1.276965  20.87897       1.820833  18.17693       1.791330  541.9026 23.80070 505.4058 25.12345 36.49689       34.60724 
1 1 1 14 4  12 o 934.0219 14.28315 61.80609       1.887995  61.90011       2.693610  61.71529       2.647054  934.1456 20.37513 932.7862 20.05215 1.359436       28.58731 
1 1 1 14 4  14 o 531.0399 18.73095 20.03066       1.405485  20.90396       2.010095  19.19531       1.965951  541.5233 26.30759 518.7822 26.86892 22.74109       37.60356 
1 1 1 14 4  16 o 739.5356 17.56320 38.80207       1.838157  36.19154       2.803146  40.77147       2.434709  712.2689 27.86253 757.0576 22.75053 -44.78870      35.97092 
1 1 1 14 4  18 o 1382.814 18.46287 135.7593       3.613124  137.7938       5.209393  133.8733       5.015574  1390.690 26.46897 1370.980 25.85055 19.71021       36.99807 
1 1 1 14 4  20 o 1066.351 19.34888 80.82430       2.919951  76.47327       4.062175  85.47592       4.200151  1034.433 27.77343 1094.242 27.12263 -59.80884      38.82010 
1 1 1 14 4  22 o 1369.625 20.05772 133.6098       3.887792  132.3227       5.476657  134.9172       5.519936  1358.509 28.48612 1371.796 28.43313 -13.28699      40.24800 
1 1 1 14 4  24 o 488.1830 33.84726 17.38383       2.323959  14.59033       2.961250  21.86309       3.749761  440.2110 48.32656 538.8406 49.73350 -98.62961      69.34608 
1 1 1 14 4  26 o 728.0375 24.68778 38.21249       2.539960  41.11530       3.669286  35.54185       3.519486  748.5122 34.73351 694.9733 35.90594 53.53888       49.95651 
1 1 1 14 4  28 o 532.0514 33.05011 20.93794       2.476262  24.24541       3.178282  15.82887       3.950170  567.2145 39.84714 435.3422 66.19840 131.8724       77.26593 
1 1 1 14 4  30 o 243.5483 97.70459 6.707721       5.130090  0.000000       0.000000  6.707721       5.130090  ?        ?        243.5483 97.70459 ?              ?        
1 1 1 14 4  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 5  1  o 683.8207 14.48005 33.12672       1.401303  33.55734       1.989158  32.70246       1.974409  687.5509 20.46578 678.7167 20.57931 8.834229       29.02337 
1 1 1 14 5  3  o 1349.611 15.86877 129.0613       3.030900  133.8135       4.330368  124.4975       4.243629  1373.330 22.28076 1324.606 22.63763 48.72437       31.76310 
1 1 1 14 5  5  o 621.0146 18.30382 27.36017       1.606902  27.19486       2.267303  27.52700       2.277738  618.3239 25.96819 622.0997 25.92848 -3.775818      36.69650 
1 1 1 14 5  7  o 678.9661 17.11107 32.68814       1.642853  31.72847       2.267017  33.74950       2.384093  668.2402 24.01092 689.1654 24.48333 -20.92517      34.29224 
1 1 1 14 5  9  o 693.2494 16.34386 34.05274       1.603481  33.39729       2.102734  34.96352       2.478693  685.8546 21.69096 701.3864 25.01159 -15.53186      33.10706 
1 1 1 14 5  11 o 1135.193 14.01016 91.28770       2.250777  95.44656       3.245040  87.43197       3.124538  1160.125 19.76493 1110.335 19.88438 49.79028       28.03642 
1 1 1 14 5  13 o 1585.412 15.91013 178.1697       3.569734  183.5887       5.564355  174.3795       4.653588  1607.427 24.46040 1567.447 20.97854 39.98035       32.22438 
1 1 1 14 5  15 o 561.5212 19.70978 22.40994       1.563845  22.75412       2.375581  22.14671       2.077494  564.2250 29.85701 557.2308 26.41943 6.994263       39.86762 
1 1 1 14 5  17 f 885.9188 18.83164 55.72075       2.361032  57.25787       3.451650  54.36910       3.236712  896.0300 27.25145 873.3683 26.21675 22.66168       37.81480 
1 1 1 14 5  19 o 141.9485 54.87594 0.9971090      1.566092  3.613717       2.266562  -1.393364      2.166408  219.4234 66.91431 121.5381 55.70362 97.88529       87.06560 
1 1 1 14 5  21 o 387.9610 35.01670 10.92194       1.901901  10.49667       2.762618  11.30509       2.622256  374.1195 53.71701 390.4515 48.49783 -16.33200      72.37096 
1 1 1 14 5  23 o 456.0701 34.62955 15.15982       2.218400  12.45262       3.423456  17.11944       2.912660  400.1628 62.49366 481.0117 43.24852 -80.84888      75.99929 
1 1 1 14 5  25 o 202.5876 60.25747 3.260268       1.854745  2.418273       2.635715  4.086217       2.610479  188.9001 71.64565 224.1995 72.31488 -35.29942      101.7966 
1 1 1 14 5  27 o 223.7795 63.84640 4.165482       2.121132  4.192171       2.711140  4.123363       3.405770  222.5103 73.81433 222.5904 82.03813 -0.8003235E-01 110.3577 
1 1 1 14 5  29 o 412.1115 50.41105 13.59133       2.878947  13.45076       3.464690  13.90489       5.174580  396.9452 63.84003 359.0401 98.76138 37.90509       117.5983 
1 1 1 14 5  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 5  33 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 6  0  o 175.1939 62.48545 2.884618       1.412844  2.884618       1.412844  2.884618       1.412844  175.1939 62.48545 175.1939 62.48545 -0.000000      0.000000 
1 1 1 14 6  2  o 1384.695 17.28954 135.8905       3.388109  137.1127       4.413817  134.1374       5.286387  1390.152 22.43532 1374.126 27.18394 16.02551       35.24642 
1 1 1 14 6  4  o 742.6088 18.84909 39.11879       1.979334  38.71733       3.065091  39.40597       2.592330  737.4744 29.42724 744.6816 24.63190 -7.207214      38.37568 
1 1 1 14 6  6  o 1283.267 15.95415 116.6747       2.897413  113.6754       3.991403  120.0158       4.212668  1265.901 22.27953 1300.637 22.88660 -34.73596      31.94016 
1 1 1 14 6  8  o 1629.633 16.87361 188.1886       3.891505  193.2881       5.608127  183.4529       5.404364  1650.351 24.01163 1607.865 23.75063 42.48584       33.77352 
1 1 1 14 6  10 o 187.6889 44.72721 2.620183       1.171103  2.420558       1.619424  2.839025       1.695580  183.4279 56.67681 196.6068 57.38790 -13.17897      80.65749 
1 1 1 14 6  12 o 464.2214 19.81342 15.31577       1.298687  14.56862       1.824975  16.08231       1.848492  451.6345 28.70139 474.7605 27.63149 -23.12601      39.84054 
1 1 1 14 6  14 o 140.3908 47.96236 1.311103       1.144365  2.606692       1.642319  0.8840645E-01  1.595451  188.5294 56.84852 123.7781 52.49031 64.75128       77.37562 
1 1 1 14 6  16 o 107.0081 46.27617 -0.1305039     1.285443  1.406085       2.046466  -1.131822      1.652006  164.2997 62.93357 105.9134 48.57982 58.38631       79.50241 
1 1 1 14 6  18 o 611.1564 22.70828 26.60919       1.960652  25.85169       2.802237  27.33566       2.744234  600.1002 33.12449 617.5481 31.50416 -17.44788      45.71372 
1 1 1 14 6  20 o 701.5822 23.35896 35.11734       2.316039  37.12497       3.336572  33.25053       3.217423  718.5157 32.90020 679.6910 33.55222 38.82471       46.99122 
1 1 1 14 6  22 o 368.3804 39.80568 9.982633       2.042288  9.563025       2.985349  10.35176       2.800013  351.2062 62.34743 368.9771 55.32524 -17.77097      83.35517 
1 1 1 14 6  24 f 261.4203 54.33912 5.345780       1.944673  5.673366       2.800803  5.040851       2.702213  261.8598 72.90212 247.4993 72.50408 14.36049       102.8181 
1 1 1 14 6  26 o 404.1360 36.59436 12.12118       2.070302  11.52699       2.960543  12.68983       2.896215  382.3384 56.40681 404.5695 51.76922 -22.23114      76.56226 
1 1 1 14 6  28 o 286.9040 66.73422 7.105224       2.658310  9.117133       3.201807  2.641299       4.769242  321.3943 72.16559 205.6673 89.03907 115.7270       114.6116 
1 1 1 14 6  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 6  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 7  1  o 1629.955 16.69856 188.2672       3.851896  181.2688       5.346087  195.8224       5.554708  1598.205 23.63654 1661.125 23.62865 -62.92090      33.42154 
1 1 1 14 7  3  o 1673.553 16.84326 198.4733       3.989196  198.2277       5.611669  198.7241       5.671965  1671.319 23.72536 1673.365 23.95098 -2.045288      33.71264 
1 1 1 14 7  5  o 1121.943 15.88272 89.18306       2.521827  88.32524       3.508223  90.10023       3.627576  1115.857 22.21564 1126.946 22.74539 -11.08899      31.79445 
1 1 1 14 7  7  o 291.1506 31.56633 6.098171       1.279869  4.353370       1.735140  8.180350       1.895487  241.8439 52.22691 336.2181 40.66142 -94.37419      66.18913 
1 1 1 14 7  9  o 797.1210 16.96161 45.03204       1.913423  43.36114       2.659782  46.82431       2.754691  781.2012 24.08699 811.8383 24.00273 -30.63702      34.00462 
1 1 1 14 7  11 o 1751.872 17.75986 217.6072       4.403131  216.9403       6.235151  218.2706       6.218818  1747.392 25.21372 1752.782 25.07034 -5.390015      35.55634 
1 1 1 14 7  13 o 811.6025 17.86916 46.72464       2.052425  48.16130       2.920588  45.32290       2.884875  822.6219 25.11651 797.9036 25.58105 24.71826       35.85010 
1 1 1 14 7  15 o 473.1578 22.96369 15.95249       1.533094  16.60032       2.331676  15.45914       2.034770  480.6313 34.50933 464.4061 31.13973 16.22522       46.48200 
1 1 1 14 7  17 o 750.7648 19.63185 40.06564       2.084069  40.19403       2.936406  39.93533       2.958352  750.2861 27.70230 747.7910 28.00385 2.495117       39.39077 
1 1 1 14 7  19 o 418.0081 31.30077 12.57894       1.838207  11.52287       2.596601  13.63993       2.602644  395.6010 47.31707 432.1775 43.12856 -36.57648      64.02325 
1 1 1 14 7  21 o 143.4319 57.78138 0.8151494      1.802204  0.1742087      2.518125  1.488194       2.580420  152.2579 65.29421 175.2657 69.63226 -23.00783      95.45672 
1 1 1 14 7  23 o 490.1582 31.44843 17.44847       2.169990  15.62498       3.032277  19.36261       3.106735  456.1942 47.67051 510.6905 43.39656 -54.49631      64.46502 
1 1 1 14 7  25 o 417.3964 35.15122 12.84450       2.057112  13.29889       2.920747  12.39724       2.897780  416.1153 50.63901 400.5324 52.37556 15.58286       72.85265 
1 1 1 14 7  27 o 402.0321 40.38893 12.22472       2.266863  11.26344       2.905228  13.72083       3.624416  374.7138 56.54310 406.7627 65.16068 -32.04883      86.27303 
1 1 1 14 7  29 o 560.9866 38.24567 24.01724       3.018210  23.60001       3.573738  25.05514       5.636539  546.5811 46.64603 516.4748 79.67556 30.10632       92.32577 
1 1 1 14 7  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 8  0  o 128.8758 80.96312 0.6488224      3.084996  0.6488224      3.084996  0.6488224      3.084996  128.8758 80.96312 128.8758 80.96312 -0.000000      0.000000 
1 1 1 14 8  2  o 1347.108 17.49279 128.6096       3.334889  128.1768       5.256217  128.9012       4.314488  1343.269 27.64971 1347.927 22.61742 -4.658447      35.72190 
1 1 1 14 8  4  f 497.9193 20.66177 17.61122       1.452786  17.58522       2.042912  17.63783       2.066388  496.5960 29.19760 497.3020 29.49352 -0.7060242     41.50142 
1 1 1 14 8  6  o 1276.055 16.18380 115.3759       2.922601  116.4525       4.140733  114.3072       4.125673  1281.137 22.83821 1269.262 22.96803 11.87476       32.39003 
1 1 1 14 8  8  o 1058.961 16.38334 79.46774       2.455287  83.95976       3.515137  75.18820       3.430991  1087.723 22.83517 1029.242 23.55495 58.48035       32.80671 
1 1 1 14 8  10 o 840.0444 17.19978 50.02784       2.044772  49.25856       2.808600  50.89545       2.982739  832.4992 23.86353 846.0582 24.93844 -13.55902      34.51658 
1 1 1 14 8  12 o 541.8141 21.18592 20.87465       1.621361  21.15988       2.265509  20.57518       2.321413  544.2649 29.52328 536.4635 30.70508 7.801392       42.59608 
1 1 1 14 8  14 o 334.8426 31.40304 8.070200       1.470735  10.47517       2.068518  5.611400       2.091540  380.3292 38.98183 273.2091 55.97774 107.1201       68.21356 
1 1 1 14 8  16 o 513.6779 21.62358 18.78924       1.568433  18.53399       2.413057  18.97596       2.063854  507.8815 33.76435 515.0582 28.42432 -7.176727      44.13585 
1 1 1 14 8  18 o 914.7125 19.36556 59.46182       2.506885  57.57064       3.508610  61.43417       3.583104  897.6240 27.65281 927.3843 27.33090 -29.76038      38.88002 
1 1 1 14 8  20 o 300.3944 45.30024 6.712220       1.865978  5.098063       2.659603  8.277056       2.618656  254.8397 71.07521 329.5821 58.27415 -74.74242      91.91062 
1 1 1 14 8  22 o 654.0858 24.94253 30.70842       2.304616  29.13653       3.216586  32.36650       3.303593  632.2122 36.10120 666.9468 35.12442 -34.73462      50.36886 
1 1 1 14 8  24 o 183.7505 61.33220 2.576933       1.871137  4.389411       2.653110  0.7832483      2.639319  231.0421 72.72377 160.6236 67.78460 70.41858       99.41579 
1 1 1 14 8  26 o 449.2004 35.17194 14.95361       2.218104  16.21843       2.817871  12.89333       3.596419  462.4863 43.56612 395.0406 66.70188 67.44568       79.66899 
1 1 1 14 8  28 f 106.4640 52.87856 -6.019520      3.071122  -8.796990      4.187197  -2.785714      4.518098  118.8270 59.44417 154.6141 73.81931 -35.78706      94.77817 
1 1 1 14 8  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 8  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 9  1  o 250.4183 36.28450 4.558032       1.248478  5.064535       1.827965  4.115186       1.709238  261.4113 51.24369 234.9646 52.70343 26.44679       73.50896 
1 1 1 14 9  3  o 1260.582 16.05657 112.5927       2.864467  113.1646       4.071826  112.0323       4.030427  1262.930 22.78192 1256.613 22.66364 6.316650       32.13497 
1 1 1 14 9  5  o 1433.141 16.56157 145.5445       3.359002  143.3981       4.693017  147.7990       4.809830  1421.524 23.32803 1443.134 23.55068 -21.60925      33.14862 
1 1 1 14 9  7  o 730.4291 15.54353 37.80407       1.606747  39.06802       2.316959  36.63312       2.230096  741.6969 22.09819 718.2068 21.96671 23.49005       31.15873 
1 1 1 14 9  9  o 250.8619 31.96045 4.553181       1.108936  4.155745       1.563098  4.955924       1.573499  236.4132 48.35138 259.4948 44.44450 -23.08154      65.67473 
1 1 1 14 9  11 o 570.1123 20.87486 23.10518       1.681396  22.51364       2.331448  23.74629       2.427144  561.4762 29.44388 576.6112 29.84510 -15.13501      41.92460 
1 1 1 14 9  13 o 223.2074 45.01962 3.710706       1.372972  3.815257       1.924145  3.602256       1.959696  224.7631 59.54834 218.8234 61.00312 5.939682       85.24895 
1 1 1 14 9  15 o 222.2756 51.08690 3.721542       1.573298  2.699211       2.430009  4.459379       2.064392  199.8631 69.81550 242.1655 60.43335 -42.30241      92.33847 
1 1 1 14 9  17 o 121.0188 50.12235 0.3250075      1.403111  0.6085837      2.221251  0.1367316      1.809923  152.6509 63.12910 131.6125 55.86378 21.03835       84.29736 
1 1 1 14 9  19 o 257.7436 49.52905 5.010223       1.740994  6.380109       2.434674  3.576734       2.490553  287.7951 61.63490 218.5590 70.64623 69.23616       93.75368 
1 1 1 14 9  21 o 172.1105 60.44208 2.059932       1.822843  4.846354       2.591456  -0.6688946     2.564533  246.3834 70.65924 141.1126 63.00828 105.2708       94.67191 
1 1 1 14 9  23 o 206.7307 60.02993 3.393109       1.859607  5.749317       2.691615  1.241316       2.572209  263.8836 70.66637 167.0360 68.38367 96.84766       98.33648 
1 1 1 14 9  25 o 136.6493 56.56507 0.6789897      1.785656  3.492749       2.471065  -2.396096      2.583267  207.5473 70.48700 120.1788 56.92972 87.36842       90.60580 
1 1 1 14 9  27 o 294.5201 60.15220 7.237126       2.422334  8.502730       3.446048  6.000983       3.405704  303.0053 79.41460 251.6225 82.69968 51.38286       114.6556 
1 1 1 14 9  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 9  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 10 0  o 248.0935 71.26228 5.347836       2.169072  5.347836       2.169072  5.347836       2.169072  248.0935 71.26228 248.0935 71.26228 0.000000       0.000000 
1 1 1 14 10 2  o 374.2863 25.34042 9.991811       1.334350  10.40298       1.863069  9.558764       1.911993  380.6173 34.97845 364.2764 37.62917 16.34088       51.37554 
1 1 1 14 10 4  o 862.5662 15.65545 52.71789       1.911075  51.87815       2.475896  53.95561       3.005884  855.2629 20.45564 871.4603 24.39677 -16.19745      31.83764 
1 1 1 14 10 6  o 713.4808 16.44902 36.07825       1.660895  40.02659       2.610474  33.39291       2.152843  750.3703 24.61569 685.6091 22.21722 64.76117       33.15927 
1 1 1 14 10 8  o 513.6947 18.37029 18.73770       1.333341  15.98551       1.826266  21.87927       1.951185  473.3526 27.37894 554.3707 24.93396 -81.01816      37.03119 
1 1 1 14 10 10 f 1292.476 14.44030 118.3926       2.641305  119.3227       3.769408  117.4953       3.702236  1296.491 20.54395 1286.567 20.33349 9.923950       28.90510 
1 1 1 14 10 12 o 736.0740 16.16656 38.42535       1.684065  35.41776       2.319422  41.77871       2.449124  705.4478 23.26427 766.3634 22.60639 -60.91565      32.43879 
1 1 1 14 10 14 o 245.5966 47.09236 4.497102       1.577250  5.944147       2.550940  3.601525       2.006831  278.7993 65.73151 218.5771 62.01656 60.22211       90.36971 
1 1 1 14 10 16 f 372.5892 34.24240 10.03025       1.785393  10.97581       2.803106  9.384803       2.315929  384.7112 52.88334 357.0360 46.97292 27.67514       70.73261 
1 1 1 14 10 18 o 769.9342 21.25337 42.23140       2.313586  43.19288       3.253747  41.24817       3.290368  776.1856 29.67558 758.1274 30.73149 18.05823       42.72077 
1 1 1 14 10 20 o 98.70999 46.70316 -1.880520      1.728558  -3.101936      2.387460  -0.5348638     2.505944  110.6582 53.05513 141.5474 62.79798 -30.88918      82.20969 
1 1 1 14 10 22 f 578.9435 27.16756 24.19142       2.219697  26.71062       3.098952  21.53722       3.180902  603.7603 36.43818 538.8429 42.04532 64.91736       55.63766 
1 1 1 14 10 24 o 549.4798 28.34735 21.93580       2.196916  20.99527       3.094687  22.89133       3.119276  529.6717 41.61887 554.2986 40.03374 -24.62689      57.74799 
1 1 1 14 10 26 o 339.8126 44.78206 8.913743       2.101224  9.323344       2.675206  8.254108       3.394914  338.7492 57.88052 301.8262 78.68537 36.92300       97.68082 
1 1 1 14 10 28 o 261.9095 69.94387 6.323488       2.641374  7.103368       2.996966  3.609652       5.590620  272.8564 75.20232 210.1486 93.48254 62.70775       119.9766 
1 1 1 14 10 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 10 32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 11 1  o 1388.450 20.20757 136.7267       3.970674  133.2994       5.553957  140.3099       5.678888  1369.342 28.65966 1404.911 28.56241 -35.56909      40.46217 
1 1 1 14 11 3  o 1648.260 14.67265 192.4813       3.422585  191.9074       4.823672  193.0632       4.857032  1644.771 20.72300 1649.700 20.80396 -4.929321      29.36405 
1 1 1 14 11 5  o 959.3755 14.37622 65.21165       1.951880  65.74876       2.752982  64.66872       2.767830  962.7153 20.20625 954.7418 20.48489 7.973511       28.77365 
1 1 1 14 11 7  o 871.0525 14.84686 53.76935       1.830200  54.52282       2.584564  53.01152       2.592041  876.4929 20.83623 864.2156 21.19337 12.27728       29.72049 
1 1 1 14 11 9  o 392.5252 22.91296 10.98407       1.267290  12.95542       1.785040  8.980691       1.799486  425.3843 29.84080 352.5778 36.59565 72.80646       47.21985 
1 1 1 14 11 11 o 706.4368 16.41190 35.39694       1.640786  38.62485       2.411391  32.61399       2.239027  736.7228 23.15706 676.8713 23.40925 59.85150       32.92784 
1 1 1 14 11 13 o 302.3385 30.46415 6.590399       1.285719  7.755828       1.886550  5.579622       1.756925  325.7796 41.88713 274.2828 46.94921 51.49673       62.91867 
1 1 1 14 11 15 o 437.5495 27.08753 13.70667       1.669097  17.42550       2.988014  12.01997       2.012321  489.3682 43.60078 407.9425 35.20006 81.42572       56.03634 
1 1 1 14 11 17 o 320.3891 42.54581 7.554175       1.881459  8.121424       3.101840  7.223996       2.366509  323.1988 69.85606 308.9763 56.18992 14.22250       89.65030 
1 1 1 14 11 19 o 324.5425 40.18476 7.761488       1.806269  6.973715       2.518194  8.596321       2.592319  299.8452 61.41117 335.7501 56.56570 -35.90491      83.49258 
1 1 1 14 11 21 o 301.7314 45.87563 6.882983       1.897329  6.812374       2.608551  6.962298       2.764712  291.6391 64.87707 293.4338 67.92034 -1.794647      93.92661 
1 1 1 14 11 23 o 416.6716 33.58668 12.75885       1.963759  11.21643       2.676294  14.55792       2.890396  381.5709 50.82359 437.5202 47.43912 -55.94937      69.52343 
1 1 1 14 11 25 o 449.3240 31.38501 14.85814       1.983181  12.53056       2.735877  17.43537       2.878867  401.4385 49.18307 479.1607 42.90790 -77.72217      65.26916 
1 1 1 14 11 27 o 369.9426 50.26638 11.01614       2.563656  10.45335       3.127212  12.16945       4.476712  345.5697 66.35593 343.5555 90.74115 2.014191       112.4147 
1 1 1 14 11 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 11 31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 12 0  o 181.6001 79.91517 3.404809       2.150387  3.404809       2.150387  3.404809       2.150387  181.6001 79.91517 181.6001 79.91517 0.000000       0.000000 
1 1 1 14 12 2  o 271.1813 35.03892 5.329480       1.313315  5.645094       1.929006  5.056787       1.793052  275.9092 51.28975 260.9774 50.37244 14.93185       71.88895 
1 1 1 14 12 4  o 405.5690 21.53868 11.70830       1.231809  12.29953       1.706083  11.06446       1.780375  414.7015 29.25777 392.7428 32.31763 21.95871       43.59411 
1 1 1 14 12 6  o 665.5361 16.23881 31.40294       1.529486  29.41869       2.122504  33.54628       2.205949  643.0860 23.36048 686.8689 22.72481 -43.78290      32.59032 
1 1 1 14 12 8  o 807.8768 16.56726 46.28637       1.894156  46.68452       2.560762  45.80535       2.814688  810.2964 22.35222 802.1733 24.82362 8.123108       33.40410 
1 1 1 14 12 10 o 742.7242 16.98838 39.13595       1.785662  36.60670       2.662428  41.20387       2.407402  716.5501 26.29959 761.0432 22.37646 -44.49304      34.53077 
1 1 1 14 12 12 o 166.9091 48.35263 2.060755       1.207789  -0.7911544     1.682624  5.091952       1.734708  111.8968 50.41328 261.2768 48.70575 -149.3800      70.09814 
1 1 1 14 12 14 o 248.0619 42.19874 4.555462       1.428425  5.310995       2.231843  4.031242       1.859061  263.6469 61.02431 230.1564 57.29914 33.49046       83.70877 
1 1 1 14 12 16 o 336.1492 32.87179 8.180828       1.543814  5.287181       2.303182  10.54164       2.080349  261.7900 62.94394 380.3279 39.21220 -118.5379      74.15885 
1 1 1 14 12 18 f 344.1490 44.14520 8.773390       2.100603  9.163879       3.351103  8.520645       2.696024  340.4879 71.80899 333.3584 59.32140 7.129456       93.14269 
1 1 1 14 12 20 o 401.5059 33.85619 11.77320       1.905846  10.05577       2.674292  13.54560       2.716758  362.3739 53.77610 425.6107 45.82562 -63.23685      70.65307 
1 1 1 14 12 22 o 296.0403 46.43929 6.702264       1.881659  3.551213       2.511562  10.73390       2.840905  210.9155 71.06506 370.5450 55.91325 -159.6295      90.42419 
1 1 1 14 12 24 o 415.1896 34.52736 12.77633       2.010412  13.07835       2.718036  12.41149       2.987307  412.0786 47.47406 396.2327 54.73360 15.84586       72.45380 
1 1 1 14 12 26 o 401.0931 38.39794 12.24522       2.152999  12.07924       2.740634  12.51277       3.479566  388.2761 51.11626 380.2319 67.11607 8.044189       84.36492 
1 1 1 14 12 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 12 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 13 1  o 408.2700 31.50858 11.94773       1.806446  10.15542       2.403727  14.27360       2.738237  373.2079 46.51786 443.9331 44.17005 -70.72525      64.14753 
1 1 1 14 13 3  o 914.2710 14.81979 59.24454       1.917506  58.35855       2.719191  60.12092       2.704396  906.6369 21.19271 920.2861 20.76479 -13.64917      29.66998 
1 1 1 14 13 5  o 761.1152 15.56792 41.07008       1.676875  41.81001       2.379497  40.34007       2.363503  766.9036 21.94681 753.2509 22.19580 13.65277       31.21403 
1 1 1 14 13 7  o 664.6478 17.02468 31.35764       1.600047  30.12764       2.257890  32.59841       2.267759  650.3563 24.57614 676.6852 23.71714 -26.32892      34.15391 
1 1 1 14 13 9  o 202.7852 43.80668 3.072139       1.220386  2.801329       1.667443  3.384548       1.790941  194.1390 56.97700 211.9400 58.02356 -17.80103      81.32104 
1 1 1 14 13 11 o 543.4028 19.67151 21.00330       1.510296  20.27519       2.102113  21.78015       2.171332  532.4683 27.99438 551.9492 27.88798 -19.48083      39.51486 
1 1 1 14 13 13 o 124.0191 50.44266 0.4809470      1.388514  0.3543911      2.124264  0.5753535      1.834714  145.4286 61.05909 140.7122 57.69720 4.716354       84.00702 
1 1 1 14 13 15 o 563.5298 22.30751 22.65039       1.775534  21.55221       2.687051  23.50149       2.365533  546.5311 34.92365 572.4111 29.29870 -25.88000      45.58591 
1 1 1 14 13 17 o 592.8920 22.13957 25.10477       1.854390  25.83308       2.874739  24.58575       2.426803  597.6998 34.12748 584.6647 29.42430 13.03516       45.06078 
1 1 1 14 13 19 o 197.4029 64.24638 2.976340       2.057724  0.5386516E-03  3.337156  4.801829       2.613751  167.8433 73.54082 243.8522 71.27188 -76.00888      102.4106 
1 1 1 14 13 21 o 326.7355 46.96988 8.142383       2.109538  8.277388       3.329065  8.051800       2.726907  312.7253 75.98029 316.2097 63.14815 -3.484314      98.79622 
1 1 1 14 13 23 o 106.9072 49.42327 -1.109976      1.757984  -0.8001143     2.463014  -1.431768      2.509980  132.7185 60.27441 126.9827 58.82704 5.735855       84.22366 
1 1 1 14 13 25 o 280.2526 50.35576 6.295178       1.923780  5.496192       2.589210  7.279832       2.874350  248.2465 70.44541 285.9238 71.28512 -37.67731      100.2204 
1 1 1 14 13 27 o 173.9652 67.09426 2.473386       2.337094  2.294993       2.787483  2.895552       4.288106  174.3616 71.26242 193.2669 84.04401 -18.90527      110.1895 
1 1 1 14 13 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 14 0  o 190.7853 81.63315 3.737090       2.249735  3.737090       2.249735  3.737090       2.249735  190.7853 81.63315 190.7853 81.63315 0.000000       0.000000 
1 1 1 14 14 2  f 520.6163 19.29082 19.26471       1.418850  20.62834       1.995584  17.87067       2.017713  537.7465 26.30221 500.0344 28.63249 37.71210       38.87962 
1 1 1 14 14 4  o 423.3718 21.73263 12.76851       1.297772  14.04782       1.869448  11.57851       1.803008  442.8419 30.00662 401.4907 31.99690 41.35123       43.86569 
1 1 1 14 14 6  o 358.1478 25.04848 9.172514       1.261586  10.48868       1.785579  7.860544       1.782727  381.6403 33.39635 328.7881 39.07676 52.85217       51.40340 
1 1 1 14 14 8  o 450.1012 21.46447 14.43211       1.363317  13.23143       1.906923  15.68745       1.949836  429.2056 31.61598 467.9418 29.59491 -38.73621      43.30622 
1 1 1 14 14 10 o 500.2277 20.83280 17.81695       1.471579  17.09698       2.064432  18.56069       2.098233  488.3553 30.01569 509.0662 29.24768 -20.71091      41.90905 
1 1 1 14 14 12 o 115.2029 48.90786 0.8158591E-01  1.387704  2.207910       1.867720  -2.538761      2.073369  178.9935 61.27046 105.8267 50.38091 73.16679       79.32405 
1 1 1 14 14 14 o 93.87914 43.82332 -1.308835      1.434851  -2.942910      2.226733  -0.1485718     1.876335  107.3364 51.40271 128.5391 55.74755 -21.20272      75.82894 
1 1 1 14 14 16 o 447.5304 27.06867 14.39046       1.706373  13.98391       2.612778  14.69284       2.253285  436.1976 42.87886 449.7390 35.69524 -13.54138      55.79200 
1 1 1 14 14 18 f 481.1089 29.79323 16.74863       2.018575  15.55744       2.767995  18.10171       2.950090  458.0721 43.20890 494.7050 42.55055 -36.63297      60.64288 
1 1 1 14 14 20 f 632.6655 29.04213 29.03172       2.593358  29.08726       4.098807  28.99464       3.348910  621.2456 46.96816 626.9155 37.92368 -5.669861      60.36732 
1 1 1 14 14 22 o 146.5764 59.42854 1.028542       1.920158  -0.4612848     2.965480  2.104111       2.519685  149.4125 67.15398 178.3636 69.42535 -28.95107      96.58953 
1 1 1 14 14 24 o 121.0141 53.13246 -0.2833876E-01 1.750099  -1.854819      2.386725  2.095828       2.573885  117.5404 55.38956 175.3574 69.58424 -57.81697      88.93801 
1 1 1 14 14 26 o 372.7761 51.22175 11.38749       2.630860  11.75700       3.076588  10.38214       5.074706  368.8534 61.07339 289.9310 100.9162 78.92239       117.9577 
1 1 1 14 14 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 14 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 15 1  o 362.3896 36.05560 9.494077       1.824628  10.15099       2.617297  8.872927       2.545047  371.0303 51.20934 345.7453 53.76019 25.28500       74.24658 
1 1 1 14 15 3  o 405.2374 23.07854 11.71593       1.318070  10.54566       1.855558  12.90782       1.872622  382.3644 34.66714 423.9915 31.43207 -41.62714      46.79515 
1 1 1 14 15 5  o 312.8054 28.54136 7.035572       1.249577  6.319389       1.708022  7.860326       1.832920  293.4173 42.35752 328.3491 40.28797 -34.93182      58.45751 
1 1 1 14 15 7  o 641.7230 17.56869 29.25375       1.594036  29.57900       2.241191  28.92077       2.267656  644.0759 24.63333 636.7428 25.21464 7.333130       35.25024 
1 1 1 14 15 9  o 316.9091 30.88317 7.246141       1.367533  7.565491       1.904968  6.906565       1.964368  321.0859 43.00264 305.4991 46.93423 15.58682       63.65570 
1 1 1 14 15 11 o 702.1788 17.94172 35.04625       1.781459  34.09958       2.496325  36.02869       2.543051  691.0211 25.57053 710.3825 25.33606 -19.36145      35.99678 
1 1 1 14 15 13 o 118.3733 50.35616 0.8599225E-01  1.476261  1.047581       2.290532  -0.5972500     1.930763  161.6029 65.12706 123.3458 54.89896 38.25716       85.17881 
1 1 1 14 15 15 o 763.5121 19.27044 41.52876       2.080560  43.32258       3.217743  40.24000       2.727394  776.4285 29.33675 749.5868 25.74848 26.84174       39.03369 
1 1 1 14 15 17 f 340.9680 33.73727 8.502874       1.606641  10.69370       2.497423  6.955982       2.098544  377.0278 47.88441 301.7751 50.94989 75.25275       69.92001 
1 1 1 14 15 19 f 201.3216 58.49577 3.222812       1.765274  3.298845       2.440617  3.139397       2.556350  205.1623 70.04465 202.4204 71.53544 2.741821       100.1178 
1 1 1 14 15 21 f 249.3827 57.16420 5.030646       1.974268  4.233457       3.124814  5.560282       2.547019  224.4415 79.11039 256.3004 68.78921 -31.85893      104.8351 
1 1 1 14 15 23 o 128.2677 56.36288 0.5138878E-02  1.973015  -1.723035      3.148708  1.122358       2.531675  138.4908 64.73691 158.6376 66.63461 -20.14679      92.90339 
1 1 1 14 15 25 o 259.2768 59.26273 5.820462       2.126950  9.254820       2.468191  -4.087831      4.192330  333.6544 54.12401 138.3376 67.28216 195.3169       86.34985 
1 1 1 14 15 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 15 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 16 0  o 106.2315 68.55266 0.5065988E-01  2.396003  0.5065988E-01  2.396003  0.5065988E-01  2.396003  106.2315 68.55266 106.2315 68.55266 0.000000       0.000000 
1 1 1 14 16 2  o 172.1082 48.37229 2.206770       1.226868  2.852246       1.709297  1.520869       1.762009  195.6448 57.75935 159.9428 58.99777 35.70201       82.56439 
1 1 1 14 16 4  o 351.9551 26.34432 8.877349       1.302661  9.262735       1.865786  8.510818       1.819566  357.3152 37.45282 342.1677 38.22832 15.14752       53.51746 
1 1 1 14 16 6  o 283.0916 32.80038 5.811111       1.289802  5.356283       1.781745  6.311862       1.869532  267.7993 48.81065 291.7929 46.85876 -23.99365      67.66257 
1 1 1 14 16 8  o 226.3033 41.84094 3.808053       1.290676  3.187950       1.789743  4.479991       1.863046  205.4662 58.65568 242.7734 55.44566 -37.30724      80.71376 
1 1 1 14 16 10 f 714.3740 17.91218 36.28053       1.809469  35.25148       2.535027  37.34940       2.583616  702.4669 25.54232 723.1624 25.28372 -20.69543      35.93990 
1 1 1 14 16 12 o 199.0996 51.57418 3.018526       1.464724  2.321746       2.218608  3.556873       1.950131  186.1845 66.55551 215.4123 61.13942 -29.22780      90.37514 
1 1 1 14 16 14 o 405.2041 28.75286 11.83970       1.638115  12.62886       2.519783  11.26204       2.155847  413.6570 43.70300 391.9368 39.40110 21.72021       58.84215 
1 1 1 14 16 16 o 288.2114 41.73583 6.212105       1.652826  8.773788       2.375110  3.806693       2.301525  339.4586 51.01632 219.3780 67.52844 120.0806       84.63306 
1 1 1 14 16 18 o 393.4236 35.72806 11.42156       1.967580  9.607247       2.684739  13.52675       2.891957  350.3232 56.03976 420.8909 49.49653 -70.56778      74.76872 
1 1 1 14 16 20 o 255.8291 52.22487 5.190101       1.826762  5.964594       2.460873  4.239500       2.726337  267.3093 65.55889 224.0647 74.00934 43.24464       98.87037 
1 1 1 14 16 22 o 131.8031 56.61735 0.3447520      1.899279  1.164196       3.185386  -0.1072677     2.365817  170.7451 73.33342 137.2031 60.93565 33.54198       95.34644 
1 1 1 14 16 24 o 244.0349 69.72830 5.514838       2.528128  9.849609       4.613831  3.654917       3.022218  293.7757 96.24052 200.6719 76.57438 93.10376       122.9873 
1 1 1 14 16 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 16 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 17 1  o 339.0316 32.38140 8.300736       1.534805  7.569789       2.146394  9.065528       2.195524  319.4204 49.04705 351.2558 45.21423 -31.83542      66.70786 
1 1 1 14 17 3  f 488.6221 21.56566 17.01583       1.487594  14.99455       2.024243  19.38923       2.193485  456.7165 31.51131 519.9892 29.93366 -63.27267      43.46248 
1 1 1 14 17 5  f 101.3580 45.08754 -0.4461873     1.300463  -0.1017243     1.800207  -0.8221425     1.880698  126.9871 54.83946 118.6614 53.39356 8.325684       76.53913 
1 1 1 14 17 7  o 100.3564 44.86664 -0.5088881     1.304691  -2.295537      1.794705  1.493597       1.900020  97.56120 46.56479 161.7944 60.94979 -64.23323      76.70174 
1 1 1 14 17 9  o 326.2142 31.95996 7.703435       1.456552  7.331666       2.003610  8.120110       2.121165  314.2774 46.44577 331.0084 46.56656 -16.73105      65.76971 
1 1 1 14 17 11 o 350.3647 29.70864 8.863436       1.459193  8.210780       2.066685  9.512221       2.060550  332.8087 45.03382 359.8573 41.20271 -27.04858      61.03858 
1 1 1 14 17 13 o 285.3186 39.82410 6.028813       1.564285  4.280737       2.452927  7.227045       2.030836  233.2420 69.27699 310.0739 47.81487 -76.83197      84.17578 
1 1 1 14 17 15 f 124.4778 51.18974 0.4918204      1.449619  0.3819888E-01  2.228386  0.8246188      1.908685  140.2107 60.78140 144.9019 59.06455 -4.691162      84.75258 
1 1 1 14 17 17 o 91.82628 43.30840 -1.457766      1.464672  -0.9600040     2.251973  -1.822697      1.928225  125.9719 57.37559 105.4325 49.71510 20.53938       75.91805 
1 1 1 14 17 19 o 160.0917 58.16356 1.817020       1.702607  3.304686       2.326936  0.1028067      2.497838  201.9075 68.40225 145.2317 63.62911 56.67581       93.42126 
1 1 1 14 17 21 o 154.9408 57.76048 1.685249       1.697076  2.089703       2.227878  1.126130       2.619444  171.3782 65.65905 160.4419 67.60868 10.93634       94.24460 
1 1 1 14 17 23 o 112.2619 51.05560 -0.5397719     1.774910  -1.113239      2.247933  0.4096211      2.892358  119.0757 55.33828 151.1581 67.24059 -32.08234      87.08399 
1 1 1 14 17 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 17 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 18 0  o 176.5840 89.11667 3.405682       2.756557  3.405682       2.756557  3.405682       2.756557  176.5840 89.11667 176.5840 89.11667 0.000000       0.000000 
1 1 1 14 18 2  o 154.7347 51.83859 1.664439       1.336532  1.656111       1.840613  1.673728       1.943896  164.3134 60.35251 166.8882 61.89392 -2.574814      86.44816 
1 1 1 14 18 4  o 90.55634 42.11457 -1.128743      1.305588  0.6620580E-01  1.825306  -2.380515      1.868201  130.5228 55.77317 99.51204 47.49942 31.01071       73.25874 
1 1 1 14 18 6  o 266.6012 37.81689 5.222494       1.386825  3.992530       1.916359  6.574907       2.009487  227.9780 58.96014 296.2732 49.68343 -68.29527      77.10215 
1 1 1 14 18 8  o 282.3805 37.16441 5.848948       1.449171  6.442750       2.022840  5.222854       2.077112  292.5327 50.69772 260.6766 57.81845 31.85605       76.89754 
1 1 1 14 18 10 o 407.8347 26.55193 11.95554       1.524167  10.17425       2.109634  13.90061       2.204488  372.0750 40.72891 437.1829 35.94802 -65.10788      54.32407 
1 1 1 14 18 12 f 203.5322 53.45097 3.205106       1.559063  3.576960       2.386631  2.928301       2.059138  215.1935 69.12045 197.0060 64.27879 18.18745       94.38961 
1 1 1 14 18 14 f 253.2257 44.40631 4.872337       1.533380  5.478552       2.396844  4.452322       1.995073  260.3900 65.19583 236.4752 59.63470 23.91483       88.35607 
1 1 1 14 18 16 o 174.6801 54.63476 2.368521       1.499781  2.899631       2.258502  1.949565       2.005916  193.8191 67.33155 169.0131 62.83730 24.80608       92.09812 
1 1 1 14 18 18 o 213.2060 55.31575 3.680608       1.683169  4.663717       2.208845  2.319275       2.599242  236.1152 64.35583 182.9479 70.70425 53.16733       95.60734 
1 1 1 14 18 20 o 170.4144 60.46942 2.247534       1.828183  2.525636       2.210835  1.646133       3.251143  180.2865 66.15678 177.8056 75.14378 2.480865       100.1165 
1 1 1 14 18 22 o 243.4900 53.72330 4.964610       1.801522  4.932260       2.216931  5.027505       3.091180  234.7432 64.67224 226.8701 78.77412 7.873077       101.9209 
1 1 1 14 18 24 o 113.4664 51.23935 -0.2709133     1.749919  -0.2451609     2.243616  -0.3109109     2.796131  126.5873 57.50461 137.4577 63.10509 -10.87036      85.37583 
1 1 1 14 18 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 18 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 19 1  o 245.8620 49.09861 4.565657       1.648522  4.232505       2.308079  4.912601       2.355366  233.9528 66.55186 251.3569 65.54639 -17.40402      93.41027 
1 1 1 14 19 3  o 629.6292 19.26750 28.22765       1.714820  28.38945       2.391817  28.05652       2.459859  629.5769 26.90679 625.5979 27.85386 3.979004       38.72742 
1 1 1 14 19 5  o 398.0323 26.65893 11.37996       1.493033  11.71366       2.077569  11.02356       2.147081  401.1357 37.01410 388.2458 39.63235 12.88998       54.22884 
1 1 1 14 19 7  o 166.6683 53.82378 2.023648       1.445868  6.842482       2.060185  -2.653576      2.029688  301.3179 50.06920 102.4881 49.07949 198.8298       70.11220 
1 1 1 14 19 9  o 236.6710 44.64876 4.228700       1.440639  2.876591       1.994154  5.704719       2.083526  195.6040 63.21410 271.8669 56.01743 -76.26294      84.46287 
1 1 1 14 19 11 o 410.6461 29.67903 12.21705       1.713156  13.73175       2.639249  11.11416       2.252089  429.7243 44.01953 387.1592 41.76326 42.56516       60.67857 
1 1 1 14 19 13 o 419.4187 27.69490 12.74751       1.634669  15.46981       2.545777  10.83763       2.132329  456.7501 39.78065 381.6369 40.07792 75.11322       56.46893 
1 1 1 14 19 15 f 139.9530 53.21599 1.188905       1.456380  -0.8505058     2.192200  2.800139       1.948531  124.9784 56.80050 188.7956 62.57573 -63.81718      84.51046 
1 1 1 14 19 17 o 132.8905 51.91303 0.9877343      1.412940  -0.7270613E-01 2.137147  1.811174       1.883247  132.7884 58.49349 162.0306 60.75632 -29.24220      84.33752 
1 1 1 14 19 19 o 120.4268 51.69647 0.2410756      1.581521  0.1883606      2.000765  0.3288680      2.582007  131.5538 57.30507 147.5620 64.67003 -16.00827      86.40650 
1 1 1 14 19 21 o 305.1052 44.36439 7.378637       1.859511  7.730767       2.259665  6.639944       3.272837  304.6315 54.41106 257.1453 80.74877 47.48621       97.37006 
1 1 1 14 19 23 o 142.1497 56.70634 1.384510       1.718159  1.980484       2.136225  0.2926825      2.891414  159.5080 63.36122 145.2853 65.71172 14.22266       91.28349 
1 1 1 14 19 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 19 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 20 0  o 159.4943 88.98728 2.688636       2.991918  2.688636       2.991918  2.688636       2.991918  159.4943 88.98728 159.4943 88.98728 0.000000       0.000000 
1 1 1 14 20 2  o 144.3168 52.92634 1.284422       1.414654  1.723069       1.919381  0.7627601      2.093139  166.2950 61.53396 150.3220 61.63097 15.97304       87.09078 
1 1 1 14 20 4  o 97.03479 44.81014 -1.062010      1.439361  -4.373425      2.026578  2.308795       2.044670  88.87505 43.93061 182.1485 64.01048 -93.27347      77.63531 
1 1 1 14 20 6  o 363.3323 29.98783 9.557939       1.528228  8.347608       2.157435  10.77685       2.165067  333.8588 46.95794 382.4989 40.61662 -48.64014      62.08670 
1 1 1 14 20 8  o 139.5978 53.09903 1.105150       1.450291  3.774514       2.072533  -1.456195      2.030166  218.9536 63.31277 114.2943 52.93409 104.6593       82.52590 
1 1 1 14 20 10 o 438.1560 25.34176 13.83834       1.564690  15.01833       2.204201  12.63975       2.221511  452.9907 34.64577 413.7893 38.37295 39.20132       51.69926 
1 1 1 14 20 12 o 256.7951 46.10874 5.069699       1.614097  8.951241       2.838957  3.215660       1.962077  333.8790 62.37584 200.8097 62.44166 133.0693       88.25932 
1 1 1 14 20 14 f 173.4520 53.75625 2.360017       1.455556  -0.9750651     2.189997  4.999040       1.948103  122.9959 56.23409 248.9391 56.58396 -125.9432      79.77480 
1 1 1 14 20 16 o 128.0060 51.34014 0.7963566      1.416123  2.719757       2.181558  -0.6043286     1.861668  185.8175 66.04341 116.5973 52.73283 69.22018       84.51321 
1 1 1 14 20 18 o 100.7667 46.68488 -0.9890434     1.581131  -0.4401676E-01 2.059154  -2.346720      2.468112  129.2295 57.14944 114.9440 54.79050 14.28545       79.17107 
1 1 1 14 20 20 o 141.4077 56.32698 1.259341       1.692771  0.2426229      2.042646  3.488520       3.024582  130.5706 57.36268 196.7023 76.20232 -66.13170      95.37962 
1 1 1 14 20 22 o 118.1877 54.95518 -0.8704332     2.221557  -1.598532      3.204280  -0.1965150     3.082754  132.7021 63.01974 142.8213 65.81940 -10.11920      91.12454 
1 1 1 14 20 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 20 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 21 1  o 193.0104 58.40090 2.858634       1.731114  4.459426       2.447134  1.255142       2.449197  236.7756 68.89462 166.8505 67.30847 69.92511       96.31667 
1 1 1 14 21 3  o 194.0768 51.04082 2.907382       1.420316  2.704025       2.001105  3.113828       2.016240  190.3990 63.42358 201.2143 63.40556 -10.81534      89.68175 
1 1 1 14 21 5  o 196.9348 51.38666 3.006338       1.447049  2.194316       2.123773  3.709985       1.976977  179.0109 64.97140 216.8617 61.56151 -37.85086      89.50476 
1 1 1 14 21 7  o 165.4402 54.07739 2.037124       1.457092  1.017990       2.079536  3.020037       2.042247  152.6083 61.85611 197.4939 63.98392 -44.88557      88.99505 
1 1 1 14 21 9  o 135.9659 52.36293 1.040470       1.422016  1.587927       1.969226  0.4439204      2.055624  160.9451 61.71286 140.7518 59.63009 20.19328       85.81506 
1 1 1 14 21 11 o 81.47892 39.63229 -2.367241      1.455637  -4.044847      2.244225  -1.148926      1.912500  96.94012 47.58707 112.2104 51.75902 -15.27030      70.31021 
1 1 1 14 21 13 o 226.7351 46.84307 4.033419       1.453331  4.299118       2.205595  3.829529       1.932095  226.3023 65.27607 215.4164 60.75914 10.88589       89.17757 
1 1 1 14 21 15 f 124.3329 50.87899 0.6454989      1.423119  3.543782       2.193809  -1.460236      1.869951  204.8081 66.31261 105.7885 49.59169 99.01955       82.80518 
1 1 1 14 21 17 o 95.57264 44.04655 -0.7925045     1.380755  -0.1070422     2.067219  -1.344627      1.855292  128.0172 56.90220 105.7096 49.50396 22.30752       75.42216 
1 1 1 14 21 19 o 86.80391 42.27537 -2.471022      1.670583  -2.790954      2.008141  -1.751991      3.010505  95.49702 46.47330 130.3019 61.64569 -34.80492      77.20077 
1 1 1 14 21 21 o 111.6640 52.47604 -1.191223      2.116304  1.099303       3.133673  -3.111907      2.869551  156.5266 69.78627 114.3286 55.61862 42.19795       89.23875 
1 1 1 14 21 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 21 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 22 0  o 121.2576 78.66785 0.2318466      3.212320  0.2318466      3.212320  0.2318466      3.212320  121.2576 78.66785 121.2576 78.66785 0.000000       0.000000 
1 1 1 14 22 2  f 119.8560 50.29148 0.3078984      1.439744  0.9783879      2.049255  -0.3456536     2.023206  150.8800 61.31274 127.8325 56.58436 23.04753       83.43285 
1 1 1 14 22 4  o 159.1472 53.56984 1.856539       1.427169  0.8523123      2.000794  2.896745       2.036319  146.9376 60.25119 193.4843 63.96383 -46.54663      87.87251 
1 1 1 14 22 6  o 128.4060 51.03456 0.7837316      1.386619  -0.1005035     2.022558  1.567914       1.904695  130.7729 57.27641 158.9964 60.76110 -28.22345      83.50149 
1 1 1 14 22 8  o 237.3893 44.43947 4.344321       1.438107  1.864766       2.027772  6.853536       2.039864  166.9239 62.94728 296.5787 50.40244 -129.6548      80.63972 
1 1 1 14 22 10 f 148.0369 53.88170 1.512632       1.462069  2.341547       2.268736  0.9238573      1.912069  179.4745 66.80783 144.0655 58.96704 35.40895       89.10891 
1 1 1 14 22 12 o 174.2333 52.76978 2.423915       1.412902  4.075474       2.155233  1.179173       1.871055  219.5063 64.87150 147.3561 59.04327 72.15021       87.71783 
1 1 1 14 22 14 o 89.43394 42.22611 -1.329196      1.399350  1.279778       2.090928  -3.445713      1.883281  152.4185 61.93484 87.91273 43.24253 64.50578       75.53702 
1 1 1 14 22 16 o 110.6523 48.08729 0.8611090E-01  1.401944  3.203497       2.112965  -2.365523      1.873807  192.4937 65.18172 95.60642 46.13406 96.88728       79.85618 
1 1 1 14 22 18 o 151.6178 62.39119 1.473973       2.155274  1.299412       3.046910  1.648788       3.049127  161.2532 70.47074 165.7866 71.48151 -4.533371      100.3779 
1 1 1 14 22 20 o 115.8760 53.84248 -0.7859080     2.126710  -0.1823117     3.072235  -1.341268      2.946922  141.2844 65.32291 128.6477 60.90111 12.63666       89.30861 
1 1 1 14 22 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 22 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 23 1  o 171.2495 58.09808 2.217336       1.678722  6.108129       2.439438  -1.282676      2.313692  272.4720 64.30509 123.5951 56.98141 148.8769       85.91872 
1 1 1 14 23 3  o 108.8133 47.84808 -0.1844395     1.424218  -2.434361      2.026879  2.009833       2.001655  102.4003 49.03961 169.6905 62.83008 -67.29022      79.70258 
1 1 1 14 23 5  o 118.8181 50.06346 0.3222810      1.436057  2.204974       2.087824  -1.368197      1.978376  174.7749 64.26387 111.5327 51.86053 63.24221       82.57942 
1 1 1 14 23 7  o 178.4795 51.86300 2.534800       1.387594  5.630129       1.989426  -0.3975981     1.936358  264.6216 54.92324 122.3269 54.67620 142.2947       77.49870 
1 1 1 14 23 9  o 176.6227 53.20083 2.497774       1.438882  2.762136       2.162349  2.287696       1.927597  186.5882 65.80532 173.3492 62.02914 13.23900       90.43204 
1 1 1 14 23 11 o 129.7442 51.32653 0.9171587      1.396387  3.251024       2.102907  -0.9235392     1.867555  196.8719 64.99781 111.9080 51.44803 84.96390       82.89520 
1 1 1 14 23 13 o 78.32069 38.15141 -2.183895      1.362420  -4.273781      1.996452  -0.3623494     1.863878  85.87109 42.64776 118.5883 53.27462 -32.71719      68.24234 
1 1 1 14 23 15 o 124.0913 49.82735 0.8297290      1.335511  1.470636       1.969274  0.2839470      1.817266  150.9000 60.53551 125.8483 54.71937 25.05173       81.60121 
1 1 1 14 23 17 o 130.7847 54.19374 0.9091904      1.641432  -2.161657      3.176311  2.028077       1.917287  128.3609 61.45002 158.6387 60.87707 -30.27783      86.49927 
1 1 1 14 23 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 23 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 23 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 24 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 24 2  o 104.4808 46.66547 -0.3590373     1.407798  -0.2937651     2.003030  -0.4227555     1.979041  125.5187 55.88838 122.9607 55.09413 2.558037       78.47850 
1 1 1 14 24 4  o 144.7918 52.80264 1.456804       1.405064  -1.928554      2.000521  4.752563       1.973870  105.5011 50.01253 239.8332 58.65077 -134.3321      77.07896 
1 1 1 14 24 6  f 161.8194 52.97483 2.045962       1.398037  1.895980       2.007297  2.187253       1.948270  164.6228 62.50395 170.5748 62.18159 -5.952042      88.16629 
1 1 1 14 24 8  o 92.68861 42.69573 -0.7771943     1.295034  0.3300802      1.822173  -1.907321      1.840880  129.0479 55.44532 99.69833 47.46589 29.34953       72.98763 
1 1 1 14 24 10 o 106.3608 46.98235 -0.1456707     1.387837  2.324721       2.068496  -2.168212      1.871632  172.8320 63.89278 97.76865 46.90161 75.06339       79.25937 
1 1 1 14 24 12 o 117.7454 49.03407 0.5173311      1.353276  0.9671072      2.037544  0.1623236      1.810204  143.3659 59.96978 124.1900 54.29467 19.17584       80.89676 
1 1 1 14 24 14 o 133.4890 53.44669 1.082424       1.531969  3.333964       2.879443  0.1934659      1.809295  191.3592 74.29111 123.0629 54.02806 68.29636       91.85968 
1 1 1 14 24 16 o 187.7053 57.84133 3.204339       1.688018  -0.7841202     3.051060  4.963705       2.026405  135.5625 63.48382 231.4364 61.01373 -95.87392      88.05038 
1 1 1 14 24 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 24 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 24 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 25 1  o 87.49701 42.43633 -2.399893      1.636990  -0.9185691     2.369085  -3.753385      2.264558  126.6824 58.13177 98.17429 48.11265 28.50806       75.45946 
1 1 1 14 25 3  f 164.7362 52.86168 2.166196       1.396142  1.926092       2.003253  2.392967       1.946841  164.0106 62.40108 174.2557 62.33980 -10.24513      88.20513 
1 1 1 14 25 5  o 157.5596 52.58427 1.951424       1.375442  0.5636551      1.911926  3.440091       1.980209  134.8333 57.33070 200.6490 62.78162 -65.81564      85.01965 
1 1 1 14 25 7  o 173.6699 50.50871 2.464674       1.315565  0.6251046      1.874556  4.250047       1.846736  134.4334 56.94785 223.7867 57.88072 -89.35332      81.19874 
1 1 1 14 25 9  o 83.81419 39.92083 -1.412177      1.305036  -0.6291778     1.916335  -2.089369      1.782160  115.6296 52.76597 94.82766 45.56268 20.80197       69.71517 
1 1 1 14 25 11 o 114.3005 48.29459 0.4143299      1.342417  -2.472611      1.976110  2.888270       1.829307  97.14948 47.00005 182.1571 60.63901 -85.00764      76.72088 
1 1 1 14 25 13 o 105.4242 47.52669 -0.2722329     1.498117  -1.978954      2.901279  0.3482840      1.749383  123.8337 59.13194 122.7102 53.51643 1.123444       79.75333 
1 1 1 14 25 15 o 149.7153 60.78068 1.712818       2.011571  3.131305       3.000501  0.5548058      2.711051  179.2170 73.66782 141.8400 63.93965 37.37706       97.54602 
1 1 1 14 25 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 25 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 25 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 26 0  o 100.6323 68.08597 -0.7185570     2.859303  -0.7185570     2.859303  -0.7185570     2.859303  100.6323 68.08597 100.6323 68.08597 0.000000       0.000000 
1 1 1 14 26 2  o 126.7161 50.20395 0.9127743      1.337835  -0.8040567     1.872911  2.701363       1.911651  112.1913 51.55756 179.4848 61.96664 -67.29351      80.61047 
1 1 1 14 26 4  o 136.7962 51.05780 1.311387       1.326850  -1.099615      1.847559  3.879322       1.906740  107.5290 50.03871 210.8778 60.65152 -103.3488      78.62874 
1 1 1 14 26 6  o 126.8126 50.19712 0.9441857      1.336356  1.925093       1.902408  -0.1132827E-01 1.877622  159.4505 60.77567 122.6308 54.38436 36.81978       81.55576 
1 1 1 14 26 8  o 143.3234 51.42925 1.583784       1.326089  -0.7277333     1.934318  3.633544       1.821507  113.6189 52.28017 202.4460 59.58772 -88.82700      79.27113 
1 1 1 14 26 10 o 142.9887 54.24287 1.544354       1.510964  -1.538646      2.894113  2.699559       1.771570  127.4491 60.33939 174.5070 59.67421 -47.05796      84.86373 
1 1 1 14 26 12 o 142.8732 53.86824 1.625918       1.484868  0.8356442E-01  3.009862  2.122039       1.707059  141.8017 65.23595 156.9133 58.03654 -15.11166      87.31535 
1 1 1 14 26 14 o 89.18285 43.95433 -3.165009      1.978069  -6.208361      2.901657  -0.5228357     2.703651  96.41565 48.41003 128.7037 60.10472 -32.28807      77.17583 
1 1 1 14 26 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 26 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 26 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 27 1  o 182.7131 51.20863 2.829325       1.376998  3.346696       1.971810  2.336833       1.923816  192.7000 62.90276 167.4492 61.66797 25.25089       88.08913 
1 1 1 14 27 3  o 130.6781 50.86442 1.127457       1.352501  0.4831822      1.882050  1.815517       1.944952  129.1895 55.93156 155.5090 60.86099 -26.31950      82.65833 
1 1 1 14 27 5  o 85.48318 40.48211 -1.194711      1.304376  -0.5530144     1.862054  -1.812987      1.827758  112.8639 51.69618 97.55962 46.68030 15.30431       69.65304 
1 1 1 14 27 7  o 86.31093 40.87720 -1.178169      1.330443  -1.926298      1.973993  -0.5554529     1.800951  100.3699 48.15411 110.2294 50.61972 -9.859497      69.86539 
1 1 1 14 27 9  o 148.7254 53.78601 1.863663       1.453766  0.9408843      2.782766  2.210041       1.704917  147.4617 65.75269 158.7073 58.11940 -11.24565      87.75694 
1 1 1 14 27 11 o 99.88872 47.08209 -1.068054      1.726248  0.4892708      2.763576  -2.064467      2.210557  139.7801 63.62392 103.8231 50.10126 35.95704       80.98234 
1 1 1 14 27 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 27 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 27 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 28 0  o 142.6259 83.80569 2.733116       2.860144  2.733116       2.860144  2.733116       2.860144  142.6259 83.80569 142.6259 83.80569 -0.000000      0.000000 
1 1 1 14 28 2  f 125.3642 50.30824 1.002532       1.360553  1.229766       1.977722  0.7983685      1.874638  140.6196 58.96966 131.3007 56.32259 9.318939       81.54542 
1 1 1 14 28 4  o 111.4709 47.58696 0.4371681      1.326541  0.7567567      1.866848  0.1112259      1.885314  129.8441 55.95776 120.1346 53.80486 9.709572       77.62882 
1 1 1 14 28 6  o 94.53341 44.20027 -0.8383646     1.469351  0.5992141      2.422513  -1.675043      1.848118  136.1638 60.98673 97.33416 46.67018 38.82966       76.79510 
1 1 1 14 28 8  f 102.4634 47.06766 -0.4264596     1.558688  2.658971       2.914313  -1.662678      1.844701  167.2181 70.92835 96.84999 46.48766 70.36809       84.80527 
1 1 1 14 28 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 28 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 28 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 28 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 29 1  o 115.0990 51.06047 0.2701882      1.656432  -0.8448427     2.375348  1.325689       2.311070  117.4320 55.31350 142.5161 61.83912 -25.08403      82.96783 
1 1 1 14 29 3  o 83.96430 40.11984 -1.264377      1.340150  -1.461012      1.901371  -1.070249      1.889205  99.86879 47.73795 103.4862 48.92176 -3.617393      68.35386 
1 1 1 14 29 5  o 80.07644 38.83170 -1.717976      1.369407  -2.494813      2.269623  -1.273281      1.717196  100.6460 49.07415 96.28143 45.84038 4.364616       67.15365 
1 1 1 14 29 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 29 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 29 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 29 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 29 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 30 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 31 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 31 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 31 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 31 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 31 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 32 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 32 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 32 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14 32 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 0  1  o 182.0076 63.25036 3.079109       1.470899  3.079109       1.470899  3.079109       1.470899  182.0076 63.25036 182.0076 63.25036 0.000000       0.000000 
1 1 1 15 0  3  o 269.7252 43.35012 5.550723       1.526692  5.550723       1.526692  5.550723       1.526692  269.7252 43.35012 269.7252 43.35012 0.000000       0.000000 
1 1 1 15 0  5  o 149.5488 65.18111 2.284178       1.431417  2.284178       1.431417  2.284178       1.431417  149.5488 65.18111 149.5488 65.18111 0.000000       0.000000 
1 1 1 15 0  7  o 901.2301 20.60706 57.62545       2.625177  57.62545       2.625177  57.62545       2.625177  901.2301 20.60706 901.2301 20.60706 0.000000       0.000000 
1 1 1 15 0  9  o 1232.770 20.11468 107.7473       3.507149  107.7473       3.507149  107.7473       3.507149  1232.770 20.11468 1232.770 20.11468 0.000000       0.000000 
1 1 1 15 0  11 o 1152.959 20.61673 94.28943       3.361557  94.28943       3.361557  94.28943       3.361557  1152.959 20.61673 1152.959 20.61673 0.000000       0.000000 
1 1 1 15 0  13 o 527.3035 27.37176 19.89172       2.029963  19.89172       2.029963  19.89172       2.029963  527.3035 27.37176 527.3035 27.37176 0.000000       0.000000 
1 1 1 15 0  15 o 658.3571 28.13234 30.94571       2.610207  30.94571       2.610207  30.94571       2.610207  658.3571 28.13234 658.3571 28.13234 0.000000       0.000000 
1 1 1 15 0  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 0  19 o 1667.119 33.64551 198.3223       7.930750  198.3223       7.930750  198.3223       7.930750  1667.119 33.64551 1667.119 33.64551 0.000000       0.000000 
1 1 1 15 0  21 o 443.7358 47.11672 14.65156       2.874994  14.65156       2.874994  14.65156       2.874994  443.7358 47.11672 443.7358 47.11672 0.000000       0.000000 
1 1 1 15 0  23 o 493.2080 44.45929 18.01419       3.042368  18.01419       3.042368  18.01419       3.042368  493.2080 44.45929 493.2080 44.45929 0.000000       0.000000 
1 1 1 15 0  25 o 772.0699 33.80746 43.12506       3.677774  43.12506       3.677774  43.12506       3.677774  772.0699 33.80746 772.0699 33.80746 0.000000       0.000000 
1 1 1 15 0  27 o 137.1252 81.17915 1.963971       2.719210  1.963971       2.719210  1.963971       2.719210  137.1252 81.17915 137.1252 81.17915 0.000000       0.000000 
1 1 1 15 0  29 o 130.3884 86.82481 0.3175574      4.322670  0.3175574      4.322670  0.3175574      4.322670  130.3884 86.82481 130.3884 86.82481 0.000000       0.000000 
1 1 1 15 0  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 1  0  o 1948.878 21.80125 269.1715       6.011233  269.1715       6.011233  269.1715       6.011233  1948.878 21.80125 1948.878 21.80125 0.000000       0.000000 
1 1 1 15 1  2  o 1295.289 13.81314 118.8308       2.532089  118.6305       3.537987  119.0411       3.625445  1293.620 19.32546 1295.801 19.76984 -2.181519      27.64634 
1 1 1 15 1  4  o 641.1262 15.79515 29.12100       1.433135  28.76314       1.995324  29.50233       2.059726  636.4139 22.18804 644.5046 22.61712 -8.090698      31.68348 
1 1 1 15 1  6  f 2040.475 15.92991 294.9883       4.600069  291.0081       6.421683  299.1832       6.592646  2025.404 22.40358 2053.591 22.68434 -28.18701      31.88259 
1 1 1 15 1  8  o 913.3087 14.38349 59.08986       1.859096  63.14957       2.687272  55.36326       2.574659  943.6544 20.12235 883.5195 20.59130 60.13495       28.79081 
1 1 1 15 1  10 o 691.1943 17.22727 33.86894       1.685142  32.05491       2.206900  36.40565       2.609732  671.5157 23.25748 715.3198 25.82195 -43.80414      34.75174 
1 1 1 15 1  12 o 2167.272 16.89866 333.0759       5.183051  332.8383       7.288622  333.3191       7.371969  2164.233 23.79697 2165.697 24.05282 -1.464111      33.83540 
1 1 1 15 1  14 o 921.4432 15.48414 60.20233       2.019181  58.87034       2.879477  61.49095       2.832218  910.1871 22.35441 930.3711 21.51051 -20.18396      31.02292 
1 1 1 15 1  16 o 297.5509 31.96595 6.396498       1.324990  7.170615       1.958949  5.743705       1.798902  312.1424 45.69919 278.3115 47.36793 33.83084       65.81897 
1 1 1 15 1  18 o 307.5972 43.50591 6.963997       1.841069  7.969757       2.701632  6.091955       2.515635  324.0822 61.14621 281.6365 64.50607 42.44565       88.88133 
1 1 1 15 1  20 o 1215.552 20.06886 105.1737       3.452359  102.2036       4.778273  108.4176       4.993587  1194.806 28.25880 1230.378 28.67836 -35.57214      40.26175 
1 1 1 15 1  22 o 459.4980 31.81557 15.31858       2.056143  17.05104       3.034892  13.84866       2.795489  479.0332 45.30529 430.7298 46.60114 48.30334       64.99413 
1 1 1 15 1  24 o 753.9965 24.16956 40.88623       2.575707  42.89930       3.682857  38.95885       3.603634  766.3416 34.04301 729.5782 35.00402 36.76343       48.82835 
1 1 1 15 1  26 o 127.0356 55.47080 -0.7061502E-02 1.884455  -2.285071      2.596766  2.527256       2.738960  121.2693 57.33675 189.0539 72.70705 -67.78460      92.59490 
1 1 1 15 1  28 f 300.2951 71.10236 8.080293       2.974669  4.872123       3.916378  12.45484       4.573223  226.3466 86.96909 351.1187 91.22068 -124.7721      126.0351 
1 1 1 15 1  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 1  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 2  1  o 896.6019 14.07825 56.93918       1.786356  60.20174       2.587926  53.96992       2.468855  921.4897 19.84457 872.4800 19.99495 49.00964       28.17100 
1 1 1 15 2  3  f 465.4402 18.98585 15.38155       1.247961  15.74704       1.756600  15.00909       1.773285  470.1961 26.50551 458.9022 27.42996 11.29391       38.14374 
1 1 1 15 2  5  o 895.3205 14.25089 56.77878       1.805678  55.49066       2.522784  58.13185       2.585603  884.6596 20.15042 905.4661 20.17762 -20.80652      28.51624 
1 1 1 15 2  7  o 839.4608 14.84482 49.92155       1.763579  53.13003       2.585326  47.12918       2.411856  865.5110 21.10683 814.9179 20.93039 50.59314       29.72506 
1 1 1 15 2  9  o 670.6492 15.87873 31.87323       1.507061  30.55758       2.088220  33.30336       2.177176  655.7850 22.53413 684.6514 22.50062 -28.86646      31.84438 
1 1 1 15 2  11 o 1916.641 17.04270 260.4642       4.622733  261.4941       6.168412  259.1447       6.981981  1918.925 22.71411 1909.281 25.83980 9.644165       34.40386 
1 1 1 15 2  13 o 187.8931 47.00909 2.641064       1.246806  3.291147       1.916561  2.164083       1.641680  210.1530 60.91835 175.4724 57.40333 34.68059       83.70298 
1 1 1 15 2  15 o 857.2047 15.93614 52.11459       1.933247  47.87554       2.675335  56.74714       2.796752  820.2500 23.06980 893.5414 22.11666 -73.29138      31.95876 
1 1 1 15 2  17 o 321.6823 34.67868 7.496855       1.553820  11.90679       2.432456  4.456968       2.019564  404.1070 43.20278 241.8894 59.42996 162.2176       73.47381 
1 1 1 15 2  19 o 478.8644 30.35889 16.48388       2.046806  16.24801       3.039787  16.67953       2.768445  470.6176 46.23729 478.5779 41.27858 -7.960266      61.98232 
1 1 1 15 2  21 o 647.3044 28.21811 30.12157       2.578764  30.87909       3.271673  28.87893       4.190339  652.4199 35.56876 624.7421 47.75656 27.67780       59.54684 
1 1 1 15 2  23 f 682.1513 25.01411 33.46168       2.410736  36.74826       3.514584  30.54141       3.312935  709.4849 35.11254 645.9127 36.38977 63.57227       50.56784 
1 1 1 15 2  25 o 704.6444 24.52552 35.80458       2.441998  35.28661       3.367762  36.37889       3.546155  693.2654 34.43367 702.9401 35.76426 -9.674622      49.64635 
1 1 1 15 2  27 o 444.8557 33.26331 14.67950       2.078973  19.24982       3.043813  10.68299       2.846334  502.0518 43.26156 363.1947 57.27202 138.8571       71.77497 
1 1 1 15 2  29 f 192.0246 75.43679 3.111098       2.997704  2.674600       4.104612  3.610039       4.388389  193.3321 83.14249 205.8677 87.16711 -12.53560      120.4607 
1 1 1 15 2  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 3  0  o 230.5788 52.64767 4.319364       1.496807  4.319364       1.496807  4.319364       1.496807  230.5788 52.64767 230.5788 52.64767 -0.000000      0.000000 
1 1 1 15 3  2  f 329.4400 24.23786 7.743086       1.122120  7.937262       1.613657  7.561267       1.561465  332.1421 34.84780 324.1365 34.57266 8.005585       49.08807 
1 1 1 15 3  4  o 224.8896 34.53239 3.681803       1.063971  4.339001       1.549583  3.095618       1.463471  242.3110 46.88310 203.9012 50.88222 38.40974       69.18834 
1 1 1 15 3  6  o 333.2717 25.85094 7.933208       1.209728  9.050038       1.850284  7.099369       1.598770  354.4234 37.45488 313.5698 36.72212 40.85358       52.45362 
1 1 1 15 3  8  o 1786.515 15.24682 226.1378       3.854832  231.4592       5.505773  221.0210       5.398911  1806.232 21.53897 1765.018 21.61410 41.21436       30.51387 
1 1 1 15 3  10 o 460.6949 19.80302 15.08401       1.288099  13.23419       1.802066  17.01648       1.841881  430.2178 29.78183 488.5327 26.74285 -58.31488      40.02671 
1 1 1 15 3  12 o 1374.538 14.72816 133.9156       2.865002  133.9561       4.049353  133.8750       4.054101  1373.595 20.83086 1373.173 20.86169 0.4224854      29.48109 
1 1 1 15 3  14 o 1040.042 15.09098 76.69231       2.221203  75.65657       3.114270  77.76473       3.168954  1031.979 21.32385 1046.243 21.40246 -14.26392      30.21212 
1 1 1 15 3  16 o 659.3075 17.96786 30.87882       1.674939  29.32455       2.321249  32.56707       2.419231  641.1860 25.63268 675.8184 25.33946 -34.63239      36.04335 
1 1 1 15 3  18 o 762.0388 21.20402 41.33867       2.284508  42.33016       3.262040  40.38428       3.200407  768.8235 30.03858 750.8759 30.17886 17.94757       42.58028 
1 1 1 15 3  20 f 676.2228 24.72617 32.70212       2.362297  31.80926       3.393125  33.54195       3.290809  662.8863 36.30801 681.5971 34.22528 -18.71082      49.89631 
1 1 1 15 3  22 o 389.7180 38.26423 11.17748       2.083214  12.07618       2.928709  10.25709       2.963824  398.3777 53.28190 363.5024 59.68315 34.87531       80.00649 
1 1 1 15 3  24 o 697.6405 24.90532 35.05819       2.454970  33.84461       3.477665  36.26368       3.466067  678.7266 36.33784 703.6096 34.91760 -24.88293      50.39521 
1 1 1 15 3  26 o 506.4221 30.49547 18.78441       2.175459  17.78561       3.001535  19.88971       3.157516  483.7546 44.33534 512.0007 44.00318 -28.24612      62.46521 
1 1 1 15 3  28 o 421.5030 41.79763 13.71055       2.460481  14.44648       3.564640  13.04086       3.400455  412.4537 63.06962 391.0688 63.62709 21.38489       89.58897 
1 1 1 15 3  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 3  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 4  1  o 119.4448 44.91679 0.7513059      1.030882  0.8204198      1.402752  0.6701468      1.520082  133.8115 51.87955 133.9995 53.37642 -0.1880035     74.43473 
1 1 1 15 4  3  o 1226.486 13.84960 106.5443       2.403918  103.5638       3.356812  109.6819       3.444179  1208.627 19.62523 1243.823 19.56624 -35.19531      27.71259 
1 1 1 15 4  5  o 1650.466 14.67480 192.9656       3.427667  191.6893       4.830662  194.2598       4.864420  1644.096 20.76154 1655.082 20.76786 -10.98584      29.36572 
1 1 1 15 4  7  o 444.4872 21.27868 14.04673       1.334629  14.08108       1.746832  13.99855       2.068606  444.2726 27.92443 442.2049 33.29944 2.067657       43.45833 
1 1 1 15 4  9  o 819.6276 16.28315 47.61535       1.888751  46.87701       2.793742  48.23692       2.563305  812.0535 24.33729 824.1031 21.99822 -12.04956      32.80587 
1 1 1 15 4  11 o 1810.419 15.61743 232.3423       4.001367  232.3944       5.643540  232.2897       5.674159  1809.011 22.04401 1808.566 22.16906 0.4445801      31.26348 
1 1 1 15 4  13 o 326.7166 28.11490 7.658627       1.287322  8.378833       1.813148  6.926540       1.828040  339.9314 38.35878 307.6080 43.17944 32.32343       57.75691 
1 1 1 15 4  15 o 567.1484 19.31590 22.86648       1.548094  19.48989       2.112448  26.78367       2.275279  522.0339 28.70399 612.6940 26.30170 -90.66003      38.93197 
1 1 1 15 4  17 o 122.2400 50.68858 0.3214474      1.437372  1.776272       2.198555  -0.7645907     1.899567  175.0022 65.64042 120.3102 53.93619 54.69193       84.95750 
1 1 1 15 4  19 o 543.4553 27.75304 21.17315       2.127422  17.77136       2.989344  24.66416       3.028292  493.0883 43.27673 583.8676 36.83689 -90.77936      56.83161 
1 1 1 15 4  21 o 262.2221 53.23161 5.284965       1.907864  6.096025       2.723581  4.503533       2.673373  276.0511 69.71140 238.3912 72.66629 37.65988       100.6979 
1 1 1 15 4  23 o 314.0760 47.02353 7.494962       2.025906  7.046466       2.887791  7.929612       2.842865  292.8857 70.51965 313.5398 66.15174 -20.65411      96.69061 
1 1 1 15 4  25 o 909.2372 24.52499 59.62819       3.152892  62.30120       4.195884  56.16143       4.778422  923.1511 32.16584 869.9883 38.90913 53.16278       50.48328 
1 1 1 15 4  27 o 601.6673 30.72065 26.67292       2.607154  27.73804       3.497798  25.34140       3.910823  604.2413 41.14943 569.4091 49.00788 34.83221       63.99256 
1 1 1 15 4  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 4  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 5  0  o 1345.497 19.73884 128.3098       3.756760  128.3098       3.756760  128.3098       3.756760  1345.497 19.73884 1345.497 19.73884 0.000000       0.000000 
1 1 1 15 5  2  o 558.4317 17.16553 22.12004       1.354975  25.81557       1.971506  18.81178       1.865345  602.7535 23.15512 514.1113 25.71956 88.64221       34.60716 
1 1 1 15 5  4  o 679.3539 15.64787 32.69861       1.504426  34.06494       2.119191  31.31042       2.136070  692.6686 21.64502 663.9233 22.76780 28.74536       31.41464 
1 1 1 15 5  6  o 605.7995 16.59676 26.02724       1.421551  26.15876       2.023218  25.89901       1.997779  606.6312 23.61175 603.6283 23.43061 3.002930       33.26422 
1 1 1 15 5  8  o 781.9273 14.86543 43.32243       1.644991  43.61365       2.302613  43.01889       2.350876  783.7707 20.77760 778.3300 21.36274 5.440674       29.80059 
1 1 1 15 5  10 o 738.2573 15.98963 38.63596       1.670575  39.04647       2.366334  38.22806       2.358783  741.1620 22.58657 733.3212 22.75621 7.840820       32.06241 
1 1 1 15 5  12 o 436.2144 21.26469 13.54606       1.308785  13.69210       1.878986  13.40843       1.824041  437.1746 30.56278 432.7028 29.97210 4.471832       42.80666 
1 1 1 15 5  14 o 1285.832 15.09075 117.2351       2.746091  119.1222       3.928395  115.4318       3.840223  1294.777 21.43880 1274.600 21.28937 20.17676       30.21356 
1 1 1 15 5  16 o 935.8926 17.50937 62.17571       2.319082  61.11000       3.560116  62.96126       3.056536  925.3725 27.21447 940.7142 22.95895 -15.34167      35.60535 
1 1 1 15 5  18 o 1100.291 19.17502 86.06027       2.985818  86.74327       4.229558  85.38176       4.215646  1102.123 27.11721 1093.393 27.24384 8.730469       38.43917 
1 1 1 15 5  20 o 456.2137 32.60792 15.05848       2.091405  14.94542       3.093980  15.15361       2.837963  448.1496 49.61364 453.3073 44.82402 -5.157684      66.86334 
1 1 1 15 5  22 f 121.4467 53.79876 -0.3825244     1.832323  -3.321260      2.592083  2.552644       2.590509  114.4573 54.98256 192.7506 71.45686 -78.29330      90.16188 
1 1 1 15 5  24 o 301.2675 49.98180 7.019010       2.056355  7.921371       2.786995  5.940742       3.046559  311.8617 65.24673 263.7203 76.90972 48.14142       100.8575 
1 1 1 15 5  26 o 366.3318 39.28499 10.12001       2.004897  10.19689       2.940675  10.05324       2.740592  353.3684 61.00755 354.0309 56.60535 -0.6624756     83.22311 
1 1 1 15 5  28 f 172.3782 64.30685 2.354846       2.104295  0.7290120      2.928372  4.090743       3.025868  156.7614 68.78149 210.6848 77.38235 -53.92342      103.5322 
1 1 1 15 5  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 5  32 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 6  1  f 655.4296 15.70379 30.43647       1.456633  30.55201       2.040118  30.31631       2.080456  655.9044 22.00952 653.3095 22.53567 2.594849       31.50040 
1 1 1 15 6  3  o 1455.189 15.40149 150.0275       3.171773  147.6157       4.169824  153.3389       4.885942  1442.762 20.42222 1469.946 23.48699 -27.18311      31.12404 
1 1 1 15 6  5  o 1488.428 15.47486 156.9718       3.259675  158.0393       4.975102  156.1689       4.314836  1492.177 23.55926 1483.866 20.54707 8.311401       31.26053 
1 1 1 15 6  7  o 1238.503 14.23882 108.6730       2.495692  105.9044       3.450540  111.7101       3.614016  1221.897 19.95413 1254.882 20.35015 -32.98486      28.50080 
1 1 1 15 6  9  o 1230.635 14.31828 107.3170       2.493675  106.8167       3.491625  107.8379       3.562624  1226.912 20.10918 1232.709 20.42159 -5.797119      28.66044 
1 1 1 15 6  11 o 558.9056 18.61128 22.18955       1.470037  24.77750       2.102437  19.71411       2.056227  589.7057 25.25076 525.4907 27.74777 64.21503       37.51719 
1 1 1 15 6  13 f 551.7316 19.28004 21.63732       1.503099  23.25104       2.150160  20.09498       2.102062  570.8087 26.69099 530.3146 28.10905 40.49408       38.76245 
1 1 1 15 6  15 o 616.4410 18.73512 27.00753       1.632539  26.70245       2.327726  27.30287       2.290247  611.5082 26.96367 618.5088 26.22426 -7.000549      37.61318 
1 1 1 15 6  17 o 751.8985 19.58821 40.21117       2.082590  42.28109       3.209583  38.70593       2.737001  768.5203 29.56543 736.1553 26.31388 32.36499       39.57948 
1 1 1 15 6  19 f 526.1433 28.36041 19.88029       2.103915  17.06142       2.967865  22.72791       2.982963  482.2584 43.96855 559.5383 37.89377 -77.27985      58.04456 
1 1 1 15 6  21 o 252.2270 54.40705 4.936211       1.884946  4.869120       2.728740  4.997443       2.606868  245.7968 73.08349 249.1181 70.68269 -3.321320      101.6722 
1 1 1 15 6  23 o 447.0883 33.20212 14.62803       2.085778  14.51424       2.939063  14.74348       2.960524  437.4920 48.27156 440.9952 48.22186 -3.503235      68.23117 
1 1 1 15 6  25 o 767.1965 24.64266 42.52250       2.672085  43.63388       3.738201  41.36137       3.820955  769.7298 34.40356 747.8049 36.21236 21.92493       49.94938 
1 1 1 15 6  27 o 467.6074 39.19527 16.62622       2.569945  16.21309       3.619454  17.04627       3.649637  443.0923 59.20032 455.8113 57.88107 -12.71899      82.79430 
1 1 1 15 6  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 6  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 7  0  o 439.6949 28.96918 13.88774       1.784423  13.88774       1.784423  13.88774       1.784423  439.6949 28.96918 439.6949 28.96918 0.000000       0.000000 
1 1 1 15 7  2  o 298.0186 26.99440 6.360466       1.126175  6.720746       1.589325  5.997153       1.596000  304.7596 37.64955 287.1236 40.39270 17.63608       55.21828 
1 1 1 15 7  4  o 1633.932 14.84155 189.1487       3.431887  186.6069       4.809577  191.7853       4.898486  1621.905 20.95375 1644.236 21.05126 -22.33118      29.70210 
1 1 1 15 7  6  o 411.8102 21.46667 12.06671       1.246750  10.56177       1.743535  13.64141       1.783486  383.7585 32.40614 436.9875 29.00318 -53.22894      43.48956 
1 1 1 15 7  8  o 928.1587 14.91843 61.05221       1.959590  59.48844       2.689817  62.82087       2.860620  915.5370 20.75998 940.7314 21.48695 -25.19434      29.87751 
1 1 1 15 7  10 o 267.5527 34.79066 5.197167       1.286154  5.767205       1.924774  4.737317       1.728766  278.5867 50.68688 251.9972 50.23893 26.58948       71.36603 
1 1 1 15 7  12 o 999.5990 15.36390 70.85062       2.173437  68.53676       3.050554  73.23606       3.097391  982.0809 21.94884 1015.267 21.55737 -33.18634      30.76479 
1 1 1 15 7  14 o 121.4034 48.37844 0.5682742      1.249233  -1.813963      1.765591  2.956413       1.767777  101.8946 47.89944 199.2229 58.71904 -97.32833      75.77784 
1 1 1 15 7  16 o 659.2817 20.40267 30.92968       1.901319  31.05408       2.916586  30.83774       2.507324  658.0922 31.40678 656.9127 27.02785 1.179565       41.43538 
1 1 1 15 7  18 o 756.1044 22.32902 40.77026       2.386686  37.59951       3.318965  44.16574       3.434570  722.9156 32.52437 784.1893 31.00907 -61.27368      44.93770 
1 1 1 15 7  20 o 150.3623 59.05389 1.128376       1.836618  -0.7287768     2.646961  2.852593       2.550467  142.8205 63.87479 200.4192 71.39105 -57.59869      95.79494 
1 1 1 15 7  22 o 250.7835 54.06803 4.927290       1.862379  5.726439       2.643578  4.139854       2.624134  264.1122 69.71693 226.4185 72.45334 37.69374       100.5482 
1 1 1 15 7  24 o 313.0205 47.24121 7.535502       2.027642  8.198674       2.913040  6.912223       2.824067  314.6952 67.43713 286.6406 70.18823 28.05460       97.33527 
1 1 1 15 7  26 f 496.8378 31.65637 18.22585       2.214270  14.19578       3.026216  22.86967       3.248488  424.0410 51.48143 548.1736 42.19845 -124.1326      66.56611 
1 1 1 15 7  28 o 223.3345 65.72208 4.499328       2.216046  6.458516       3.126920  2.522392       3.141052  256.1226 78.68819 182.9600 75.30751 73.16260       108.9176 
1 1 1 15 7  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 8  1  o 1192.339 16.30836 100.7534       2.751882  102.1178       4.769481  100.0725       3.369265  1198.564 28.11836 1187.836 20.04283 10.72803       34.53053 
1 1 1 15 8  3  o 558.2354 17.39269 22.11188       1.372378  22.29859       1.920334  21.91698       1.962008  559.8575 24.29487 554.9435 25.04685 4.914063       34.89391 
1 1 1 15 8  5  o 162.8809 45.98441 1.953536       1.106157  3.571725       1.574171  0.3751397      1.554695  218.5223 51.71269 128.3759 52.92526 90.14633       73.99518 
1 1 1 15 8  7  o 785.0480 16.96509 43.69758       1.884830  45.25888       2.892282  42.54509       2.484950  797.5102 25.65962 773.6791 22.71997 23.83112       34.27264 
1 1 1 15 8  9  o 679.8266 16.60076 32.77433       1.597151  32.22692       2.229270  33.35164       2.289354  672.9942 23.44203 684.6152 23.66465 -11.62103      33.30983 
1 1 1 15 8  11 o 1289.678 14.86441 117.9224       2.712994  115.1052       3.768698  120.9528       3.908634  1272.968 20.91962 1304.844 21.16639 -31.87512      29.75982 
1 1 1 15 8  13 o 449.4100 22.87779 14.40015       1.450258  16.33603       2.074359  12.54918       2.028364  477.3238 30.87358 417.3301 34.65606 59.99365       46.41358 
1 1 1 15 8  15 o 612.3303 19.48231 26.66841       1.686138  25.29181       2.350485  28.12784       2.420158  594.6609 28.00854 627.3411 27.32518 -32.68024      39.12983 
1 1 1 15 8  17 o 710.2026 20.43111 35.91604       2.051363  36.42781       3.186273  35.55374       2.680877  712.1257 31.69539 704.9829 26.92013 7.142761       41.58475 
1 1 1 15 8  19 o 115.5460 51.71879 -0.6148710     1.739143  -1.646510      2.492570  0.3638079      2.427748  128.0529 59.07476 152.3551 64.68515 -24.30219      87.60135 
1 1 1 15 8  21 o 575.8557 27.25906 23.92179       2.215184  21.56558       3.095366  26.39535       3.171508  540.3215 40.78098 599.9170 37.54374 -59.59552      55.43123 
1 1 1 15 8  23 o 128.9131 55.60025 0.1244699      1.845887  -1.012276      2.598343  1.282703       2.622785  135.2434 61.61073 167.4091 68.85110 -32.16573      92.39240 
1 1 1 15 8  25 o 382.4072 39.11470 11.01485       2.087041  9.978057       2.855421  12.20399       3.058028  350.4002 59.72147 390.2326 57.05946 -39.83243      82.59804 
1 1 1 15 8  27 o 157.2302 62.99735 1.611639       2.129971  2.417273       2.919174  0.6944081      3.114802  180.8348 73.29092 159.4435 70.40975 21.39125       101.6321 
1 1 1 15 8  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 8  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 9  0  o 818.8364 21.21546 47.60659       2.454766  47.60659       2.454766  47.60659       2.454766  818.8364 21.21546 818.8364 21.21546 0.000000       0.000000 
1 1 1 15 9  2  o 335.6368 24.51197 8.044041       1.156280  5.968283       1.595338  10.34121       1.678267  286.1803 40.52278 379.8047 31.50672 -93.62439      51.33001 
1 1 1 15 9  4  o 826.0402 15.27937 48.35830       1.786185  48.95435       2.517114  47.75371       2.535075  830.2131 21.44160 819.9008 21.86743 10.31232       30.62559 
1 1 1 15 9  6  o 527.5733 18.86407 19.77115       1.406172  21.10518       2.008006  18.48741       1.969801  544.1592 26.15124 509.0191 27.44591 35.14017       37.90996 
1 1 1 15 9  8  o 1011.253 16.11586 72.51324       2.306393  72.60577       3.039727  72.38769       3.540769  1011.120 21.24281 1008.938 24.79781 2.182007       32.65254 
1 1 1 15 9  10 o 514.1310 20.25368 18.80089       1.470778  16.05046       2.042224  21.76464       2.119940  473.3321 30.65203 552.1350 27.21439 -78.80289      40.98988 
1 1 1 15 9  12 o 285.3337 32.68407 5.893618       1.296012  5.923536       1.819941  5.862836       1.846012  282.7776 47.13535 281.0381 48.14510 1.739594       67.37724 
1 1 1 15 9  14 o 649.4868 18.80853 29.98780       1.726980  28.93649       2.397245  31.12206       2.490033  636.4973 26.67225 660.1283 26.70881 -23.63098      37.74612 
1 1 1 15 9  16 o 447.4857 27.16159 14.35295       1.712001  14.68156       2.675842  14.12521       2.227596  448.4679 42.67458 441.7961 35.93840 6.671844       55.79148 
1 1 1 15 9  18 f 520.0085 25.15721 19.37360       1.845875  20.05413       2.943242  18.93239       2.369871  524.2324 39.97326 511.8022 32.89335 12.43015       51.76711 
1 1 1 15 9  20 o 406.3187 34.45642 12.06408       1.962664  11.97784       2.752287  12.15331       2.799569  398.1242 49.94519 400.8028 50.47283 -2.678619      71.00724 
1 1 1 15 9  22 o 415.2920 34.31911 12.67489       1.999025  12.41212       2.782480  12.95520       2.873831  402.8788 49.86553 411.3662 50.41709 -8.487366      70.91159 
1 1 1 15 9  24 f 238.9799 56.57973 4.630011       1.883742  4.274350       2.588750  5.030264       2.746247  224.5033 71.97574 241.3535 73.66598 -16.85030      102.9912 
1 1 1 15 9  26 o 107.2281 50.78434 -1.813591      2.053630  0.9530948E-01  2.788141  -4.077324      3.036237  147.7863 65.86204 116.7713 56.89753 31.01501       87.03526 
1 1 1 15 9  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 9  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 10 1  o 402.5264 22.48806 11.54063       1.275958  12.88793       1.830743  10.26796       1.779309  424.3079 30.69534 378.0049 33.61102 46.30301       45.51818 
1 1 1 15 10 3  o 434.8869 22.76740 13.46862       1.396350  13.80686       1.823137  12.98863       2.171774  439.3913 29.48968 424.9041 36.46875 14.48715       46.90001 
1 1 1 15 10 5  o 251.3007 42.87164 4.652612       1.470037  6.573079       2.470255  3.599583       1.829188  295.4922 61.09050 218.8658 58.09490 76.62634       84.30342 
1 1 1 15 10 7  o 540.6013 22.21369 20.79913       1.695866  19.57851       2.361496  22.09897       2.436914  522.8219 32.07071 555.7634 31.10765 -32.94147      44.67903 
1 1 1 15 10 9  o 399.7615 27.86588 11.44126       1.566628  12.68185       2.208748  10.18528       2.222408  419.0585 37.64434 374.0191 42.75374 45.03934       56.96471 
1 1 1 15 10 11 o 714.4604 20.39100 36.29464       2.059643  37.21384       2.841900  35.27767       2.989231  721.9603 27.86711 702.3647 30.14318 19.59552       41.05103 
1 1 1 15 10 13 o 683.4991 17.67594 33.19037       1.708346  34.49502       2.473099  31.99968       2.362617  695.3901 25.17157 669.7762 24.96921 25.61395       35.45517 
1 1 1 15 10 15 o 447.2620 26.37192 14.32573       1.661850  13.40775       2.614802  14.94780       2.152500  428.1573 43.76860 455.2310 33.64902 -27.07376      55.20821 
1 1 1 15 10 17 o 444.7800 28.58632 14.23218       1.789855  15.04495       2.855097  13.70596       2.297332  451.9359 45.24785 433.7875 37.79910 18.14841       58.95880 
1 1 1 15 10 19 o 378.1580 37.07401 10.49818       1.958626  7.340672       2.717807  13.91002       2.825141  304.1451 65.10687 431.3661 47.03923 -127.2210      80.32182 
1 1 1 15 10 21 f 375.1924 37.09273 10.41165       1.943786  7.829126       2.634684  13.49630       2.879451  313.0960 61.65598 421.1279 49.24291 -108.0318      78.90706 
1 1 1 15 10 23 o 264.8754 50.30228 5.507916       1.816664  3.833952       2.483187  7.435556       2.664707  215.1404 70.61142 300.1698 64.64079 -85.02934      95.73090 
1 1 1 15 10 25 o 305.6615 44.99517 7.278393       1.888197  9.295178       2.654677  5.213382       2.686230  336.8511 57.76538 241.3669 72.68777 95.48418       92.84585 
1 1 1 15 10 27 o 255.8901 66.05161 5.930810       2.408194  7.833636       2.939380  2.045923       4.199964  289.4023 72.04939 185.1764 81.76720 104.2259       108.9816 
1 1 1 15 10 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 11 0  o 969.9990 21.03745 66.78471       2.884848  66.78471       2.884848  66.78471       2.884848  969.9990 21.03745 969.9990 21.03745 0.000000       0.000000 
1 1 1 15 11 2  o 391.1240 23.90845 10.91312       1.317060  12.61595       1.850006  9.163096       1.875464  419.4882 31.39021 355.9391 37.80949 63.54901       49.14166 
1 1 1 15 11 4  o 458.5429 24.31211 14.99122       1.572055  15.58212       2.218730  14.39551       2.227739  465.8938 33.88257 447.3934 35.47499 18.50040       49.05613 
1 1 1 15 11 6  o 738.7344 19.09632 38.76355       1.994774  38.90263       2.811575  38.62259       2.830593  738.6707 26.94059 735.9450 27.22460 2.725647       38.30110 
1 1 1 15 11 8  o 312.0675 34.64551 7.049803       1.504330  8.304374       2.160790  5.869796       2.095595  336.2126 46.66954 279.6369 54.91388 56.57571       72.06650 
1 1 1 15 11 10 o 614.0028 21.79123 26.83493       1.890526  28.41838       2.710756  25.33539       2.637946  630.1281 30.48825 594.6628 31.45742 35.46527       43.80756 
1 1 1 15 11 12 o 177.3852 56.00021 2.284177       1.572097  4.029503       2.159725  0.3171422      2.292800  230.0029 64.01157 149.8682 63.20844 80.13467       89.95992 
1 1 1 15 11 14 o 483.1645 27.56662 16.72654       1.877122  17.91217       2.698880  15.61557       2.612528  497.1389 38.66445 463.5204 40.22434 33.61850       55.79370 
1 1 1 15 11 16 o 513.5970 25.15037 18.88742       1.822486  16.00099       2.694000  21.32306       2.474709  467.9351 41.09811 543.7617 32.30408 -75.82660      52.27436 
1 1 1 15 11 18 o 351.6666 35.57346 9.054721       1.746102  10.26943       2.787920  8.270682       2.239816  366.5624 55.47456 330.8932 49.33610 35.66919       74.23933 
1 1 1 15 11 20 o 242.1271 55.20231 4.626056       1.849415  4.401784       2.528361  4.884136       2.712246  232.0976 70.65204 243.1109 72.99983 -11.01331      101.5908 
1 1 1 15 11 22 o 277.6050 48.89408 5.992486       1.850754  4.516060       2.502952  7.773511       2.749044  231.9781 70.23035 307.3639 65.22041 -75.38577      95.84365 
1 1 1 15 11 24 o 213.2442 59.08955 3.782859       1.844756  5.678457       2.646160  1.990450       2.573129  254.4121 70.87294 174.5052 69.46736 79.90692       99.24055 
1 1 1 15 11 26 o 115.2475 52.93219 -0.7616331     1.970285  -2.917178      2.701196  1.689100       2.880220  114.8895 55.42698 167.8672 70.82437 -52.97770      89.93465 
1 1 1 15 11 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 11 30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 12 1  o 568.1473 18.67419 22.93346       1.499450  24.13776       2.142083  21.77641       2.099639  581.7900 26.08291 552.3948 26.93934 29.39520       37.49728 
1 1 1 15 12 3  o 694.7848 19.92003 34.30431       1.956643  33.63400       2.697794  35.04823       2.842060  686.5626 27.82336 700.6813 28.72199 -14.11865      39.98865 
1 1 1 15 12 5  o 399.4611 27.91529 11.42529       1.568175  11.18353       2.212471  11.66937       2.223035  392.6767 40.38803 401.3707 39.65397 -8.694031      56.60062 
1 1 1 15 12 7  o 804.8063 20.56370 46.04697       2.340220  44.43690       2.979181  48.64128       3.781682  789.3350 26.70802 824.3421 32.47944 -35.00714      42.05036 
1 1 1 15 12 9  o 662.5499 23.01036 31.26577       2.154280  31.84870       3.507875  30.91280       2.729676  665.1727 37.41486 657.4373 29.41290 7.735352       47.59192 
1 1 1 15 12 11 o 92.96334 44.15893 -1.899560      1.575246  -1.368967      2.168874  -2.491932      2.291663  121.9246 55.82631 114.0832 53.91635 7.841347       77.61153 
1 1 1 15 12 13 o 180.9960 57.81855 2.385108       1.671654  3.458347       2.370549  1.323512       2.357656  215.6087 68.84980 168.7917 66.71825 46.81703       95.87294 
1 1 1 15 12 15 o 596.1167 28.64806 25.51333       2.409756  25.44576       3.832352  25.55752       3.099075  588.5276 46.38758 593.7673 37.06530 -5.239624      59.37713 
1 1 1 15 12 17 o 214.5654 53.52922 3.566424       1.620010  2.618722       2.531567  4.223641       2.108184  194.9444 70.90895 231.5623 62.77139 -36.61786      94.70125 
1 1 1 15 12 19 o 244.5732 53.58328 4.686994       1.803248  5.755961       2.498172  3.524137       2.605572  265.9706 66.54071 212.3071 72.37543 53.66348       98.31516 
1 1 1 15 12 21 f 505.7513 29.39793 18.63161       2.095065  19.15854       2.851198  18.01321       3.088781  506.7703 40.08160 487.9024 45.24922 18.86795       60.44855 
1 1 1 15 12 23 o 160.2930 59.60267 1.807056       1.804823  2.903250       2.541779  0.6923380      2.563166  192.4909 70.88489 153.8684 65.92805 38.62248       96.80482 
1 1 1 15 12 25 o 175.9136 60.53933 2.569615       1.824089  3.594504       2.538423  1.475328       2.622957  200.9023 71.25713 162.2214 67.96201 38.68089       98.47038 
1 1 1 15 12 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 12 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 13 0  o 177.3703 72.16219 3.155370       1.777030  3.155370       1.777030  3.155370       1.777030  177.3703 72.16219 177.3703 72.16219 0.000000       0.000000 
1 1 1 15 13 2  o 450.9964 22.25064 14.49408       1.415769  12.82156       1.924273  16.46792       2.090432  422.3827 32.43978 479.2885 30.98509 -56.90579      44.85995 
1 1 1 15 13 4  o 162.6920 54.74690 1.819134       1.490579  1.884164       2.064059  1.748257       2.154866  175.1694 63.98013 173.9758 65.04047 1.193573       91.23443 
1 1 1 15 13 6  f 195.7087 52.10721 2.881167       1.468734  2.866041       2.033514  2.897663       2.123622  198.8071 63.79716 200.5629 65.26645 -1.755722      91.26767 
1 1 1 15 13 8  o 209.0685 51.59998 3.301799       1.517305  4.400395       2.101723  2.105971       2.192758  240.1356 61.56142 182.3268 66.04036 57.80875       90.28365 
1 1 1 15 13 10 o 398.5208 26.46300 11.37659       1.484030  12.96010       2.122200  9.861237       2.076034  423.4452 35.74712 367.7712 40.56038 55.67395       54.06479 
1 1 1 15 13 12 o 338.1368 37.30678 8.327967       1.755612  9.289168       2.483586  7.367964       2.482036  353.1932 51.17683 311.4795 58.45291 41.71368       77.69048 
1 1 1 15 13 14 o 692.8294 26.03448 34.36404       2.548131  38.41117       4.114013  31.84510       3.245644  726.8568 40.15018 663.9352 34.66268 62.92151       53.04280 
1 1 1 15 13 16 o 534.4191 34.57556 20.75244       2.600961  16.85620       3.583032  25.09256       3.781627  472.1625 54.62809 582.0439 46.29063 -109.8814      71.60342 
1 1 1 15 13 18 o 314.3366 43.46239 7.434653       1.881752  5.161334       2.563233  10.09208       2.771331  250.9664 69.69400 360.5844 56.13404 -109.6180      89.48901 
1 1 1 15 13 20 o 194.4002 59.38002 3.012653       1.783932  3.067608       2.385521  2.942928       2.687028  198.3486 69.18100 198.1490 72.89690 0.1996460      100.4986 
1 1 1 15 13 22 o 249.2125 52.61090 4.976218       1.797175  5.188378       2.467134  4.736364       2.623219  246.0433 68.39321 233.8128 72.11515 12.23050       99.38927 
1 1 1 15 13 24 o 338.0974 40.73515 8.819572       1.909859  11.74132       2.627370  5.545965       2.781077  383.4925 49.56945 244.3976 74.03783 139.0949       89.09956 
1 1 1 15 13 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 13 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 14 1  o 157.2881 50.46458 1.760246       1.272425  -1.534788      1.753586  5.424308       1.849177  104.6658 48.72091 269.4077 50.35167 -164.7418      70.06438 
1 1 1 15 14 3  o 188.1989 53.19790 2.649349       1.479480  3.876982       2.090283  1.416964       2.094324  226.0742 62.99485 165.2939 63.57563 60.78030       89.49979 
1 1 1 15 14 5  o 462.6250 26.35181 15.30319       1.718143  13.88674       2.384950  16.83148       2.477325  437.8908 38.88924 483.0189 36.51128 -45.12805      53.34272 
1 1 1 15 14 7  o 1095.744 15.37291 85.18046       2.383883  85.56651       3.398832  84.80666       3.344465  1096.757 21.89775 1091.943 21.64247 4.813843       30.78812 
1 1 1 15 14 9  o 274.5983 37.46282 5.519535       1.417930  4.688260       1.993288  6.371080       2.017443  247.7909 57.89100 291.7846 50.69481 -43.99374      76.95020 
1 1 1 15 14 11 o 89.43014 42.49643 -1.762596      1.461565  -1.501644      1.900083  -2.140740      2.287289  110.2588 51.11544 117.0135 54.85163 -6.754738      74.97660 
1 1 1 15 14 13 o 223.4262 52.07294 3.819647       1.615941  1.426821       2.472701  5.603353       2.134901  172.0735 68.22792 269.8537 57.65307 -97.78021      89.32484 
1 1 1 15 14 15 o 196.9834 64.83696 2.914889       2.093068  1.132748       3.244262  4.185570       2.739448  181.7622 75.82497 230.9313 74.04150 -49.16910      105.9791 
1 1 1 15 14 17 o 375.7431 41.52054 10.52467       2.171087  12.38641       3.369190  9.202622       2.839161  396.5042 62.07760 341.3843 61.00517 55.11990       87.03596 
1 1 1 15 14 19 o 120.8111 54.93892 -0.8572843     2.054625  3.279758       3.212240  -3.721717      2.672897  209.2534 79.15601 112.5344 54.49555 96.71906       96.10119 
1 1 1 15 14 21 o 110.8023 50.17381 -0.6271588     1.691566  -0.6784127     2.289246  -0.5655187     2.510505  128.8642 58.35901 136.2456 61.46345 -7.381393      84.75571 
1 1 1 15 14 23 o 150.9702 57.89258 1.553803       1.733056  1.235344       2.370338  1.919570       2.540303  155.7643 64.88301 170.0830 68.57143 -14.31871      94.40257 
1 1 1 15 14 25 f 253.2733 66.36700 5.904506       2.407033  4.611921       2.820651  9.367998       4.617183  216.7045 75.24798 278.9129 96.30309 -62.20847      122.2151 
1 1 1 15 14 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 14 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 15 0  o 405.7340 34.72150 11.97617       1.958772  11.97617       1.958772  11.97617       1.958772  405.7340 34.72150 405.7340 34.72150 0.000000       0.000000 
1 1 1 15 15 2  o 499.9208 25.71725 17.85855       1.813357  16.31154       2.512984  19.53918       2.619267  475.0194 37.69041 520.6729 35.76356 -45.65341      51.95766 
1 1 1 15 15 4  o 514.4565 25.17396 18.90489       1.827256  18.31563       2.581302  19.49675       2.586968  503.7681 36.45323 520.1313 35.35472 -16.36319      50.78183 
1 1 1 15 15 6  o 501.6091 21.81266 17.93726       1.544736  19.29294       2.159830  16.51758       2.210216  518.6819 29.54600 479.0370 32.80004 39.64496       44.14531 
1 1 1 15 15 8  o 358.8448 29.38052 9.270782       1.479007  7.157182       2.014380  11.74285       2.178512  310.4291 47.34845 401.8024 38.79318 -91.37329      61.21100 
1 1 1 15 15 10 o 600.1613 20.65931 25.66940       1.752087  23.79875       2.436946  27.67106       2.520832  575.5673 30.02160 621.1166 28.75618 -45.54926      41.57180 
1 1 1 15 15 12 o 423.2104 27.29072 12.87801       1.625810  9.779051       2.216643  16.48614       2.391823  363.7106 43.95505 476.5199 35.72742 -112.8094      56.64358 
1 1 1 15 15 14 o 711.7139 20.58689 36.17511       2.071378  34.55589       3.160887  37.39384       2.742257  690.9040 32.41785 721.2787 26.91210 -30.37476      42.13286 
1 1 1 15 15 16 o 278.1729 41.35577 5.816419       1.578606  3.931082       2.379750  7.297952       2.109563  221.0437 68.77272 308.3938 50.04987 -87.35016      85.05690 
1 1 1 15 15 18 o 164.8524 63.92274 1.673069       2.129820  6.271035       3.414633  -1.254808      2.724818  267.1413 82.25677 135.6885 62.29372 131.4528       103.1828 
1 1 1 15 15 20 o 174.0254 63.01404 2.261200       1.996196  1.211658       3.154181  2.962435       2.578213  172.9448 73.58984 194.7162 71.44389 -21.77132      102.5656 
1 1 1 15 15 22 o 172.4174 61.98146 2.339050       1.927067  1.017075       2.748851  3.616642       2.702313  159.5838 68.32342 204.3239 73.40419 -44.74004      100.2809 
1 1 1 15 15 24 o 207.1212 61.88620 3.849785       1.952914  6.583474       2.477598  -0.6352302     3.173497  268.8727 65.68385 143.2737 66.29472 125.5990       93.32395 
1 1 1 15 15 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 15 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 16 1  o 119.5454 49.51624 0.3197038      1.369539  0.7200584      1.937555  -0.8004419E-01 1.936086  146.4284 59.57579 131.9387 56.92409 14.48967       82.39919 
1 1 1 15 16 3  o 395.0479 31.69854 11.24762       1.757323  10.58969       2.456137  11.93767       2.515381  379.1927 46.75843 403.5278 44.80053 -24.33511      64.75677 
1 1 1 15 16 5  o 357.3479 29.75018 9.198707       1.490894  12.49399       2.117060  5.956531       2.099930  415.1974 36.39730 280.4207 54.88028 134.7767       65.85294 
1 1 1 15 16 7  o 436.2224 25.44571 13.62765       1.564057  13.45510       2.156927  13.81897       2.271327  430.9715 35.68404 436.3844 37.13049 -5.412903      51.49780 
1 1 1 15 16 9  o 156.7064 53.86479 1.684539       1.443910  2.682674       2.027731  0.6578106      2.056570  192.1216 63.83990 147.8360 60.90184 44.28558       88.23019 
1 1 1 15 16 11 o 362.3426 30.54251 9.503222       1.551619  8.215215       2.158473  10.88049       2.232016  331.4388 47.36276 384.3562 41.70141 -52.91733      63.10498 
1 1 1 15 16 13 o 241.4411 49.26651 4.472368       1.626320  5.697851       2.549994  3.632120       2.111491  266.3692 67.55588 215.0271 64.37363 51.34213       93.31538 
1 1 1 15 16 15 o 228.7269 54.89798 4.132698       1.754393  2.700650       2.543548  5.432235       2.423012  193.7418 70.98232 258.1387 66.05901 -64.39688      96.96537 
1 1 1 15 16 17 f 377.5329 31.48668 10.45580       1.666989  8.133712       2.582094  12.11531       2.182840  318.5472 59.46317 403.0419 38.74622 -84.49466      70.97280 
1 1 1 15 16 19 o 249.2954 60.28681 5.139607       2.103407  5.970280       3.336420  4.591678       2.709741  256.4159 81.65843 230.1650 73.62290 26.25085       109.9474 
1 1 1 15 16 21 o 195.7712 63.22891 3.247781       1.995282  5.192984       3.190296  1.998087       2.557115  235.3786 80.08855 172.3018 69.02921 63.07677       105.7318 
1 1 1 15 16 23 o 90.78340 44.07879 -2.446425      1.778992  -1.680334      2.237332  -3.763506      2.933570  112.0238 53.04129 113.8094 55.55807 -1.785675      76.81197 
1 1 1 15 16 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 16 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 17 0  o 125.6616 71.91198 1.514830       2.020312  1.514830       2.020312  1.514830       2.020312  125.6616 71.91198 125.6616 71.91198 0.000000       0.000000 
1 1 1 15 17 2  o 290.7476 42.80987 6.249804       1.708817  9.539919       2.515300  3.429665       2.328732  357.6966 51.14237 214.1039 68.22562 143.5927       85.26591 
1 1 1 15 17 4  o 490.1610 27.70436 17.23521       1.913970  17.79365       2.665258  16.64058       2.750268  495.0311 38.34278 477.7270 41.07795 17.30405       56.19223 
1 1 1 15 17 6  o 363.8738 31.09918 9.569423       1.586135  8.721833       2.190800  10.50313       2.299407  342.8695 46.33440 377.6108 43.84207 -34.74130      63.78874 
1 1 1 15 17 8  o 128.5069 51.80268 0.6219403      1.449578  0.5876935      2.047867  0.6563311      2.052167  145.9311 60.50684 147.3064 60.77550 -1.375336      85.75977 
1 1 1 15 17 10 o 351.4627 31.45519 8.968777       1.548033  7.525420       2.155160  10.50721       2.225008  315.5551 49.91842 376.9284 42.44846 -61.37323      65.52648 
1 1 1 15 17 12 o 268.2879 41.40965 5.395926       1.521705  4.934116       2.179895  5.834844       2.125179  248.9403 62.08776 273.1625 56.82671 -24.22220      84.16747 
1 1 1 15 17 14 o 432.3343 28.38032 13.56761       1.726826  11.58620       2.588669  15.15620       2.317906  390.4001 47.85356 453.4504 36.42608 -63.05023      60.14003 
1 1 1 15 17 16 f 117.3959 50.61708 0.7904806E-01  1.528911  -2.564299      2.408309  1.863658       1.978822  113.5552 54.12686 165.9852 62.27064 -52.43002      82.50666 
1 1 1 15 17 18 o 232.1448 46.55570 4.234152       1.476233  6.105636       2.233285  2.781865       1.967331  272.3853 59.59556 186.2970 62.89609 86.08836       86.64611 
1 1 1 15 17 20 o 151.5269 57.55355 1.584619       1.702320  0.8745114      2.308563  2.430909       2.520225  149.0823 63.17728 179.7286 69.57767 -30.64636      93.98096 
1 1 1 15 17 22 o 143.2915 61.17735 0.8943660      2.192827  -2.280302      3.211505  3.667226       3.001397  130.2986 62.21739 198.2530 76.14517 -67.95433      98.33154 
1 1 1 15 17 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 17 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 18 1  o 108.6343 49.64405 -1.022131      1.704104  -1.430258      2.364029  -0.5806651     2.458692  126.8295 58.15118 140.2582 62.21581 -13.42869      85.16082 
1 1 1 15 18 3  o 322.8632 40.84013 7.679253       1.824379  10.65725       2.621455  4.882193       2.540569  377.7330 50.28666 249.2927 69.44366 128.4403       85.73896 
1 1 1 15 18 5  o 307.4524 36.82266 6.929925       1.570355  8.236823       2.236838  5.659812       2.205135  331.4262 49.17940 270.3081 59.27987 61.11810       77.02412 
1 1 1 15 18 7  o 282.2319 39.12259 5.892827       1.520652  5.422503       2.144270  6.368680       2.156839  263.9827 58.89403 288.0911 54.90537 -24.10834      80.51774 
1 1 1 15 18 9  f 145.0139 54.39362 1.256567       1.509719  1.884601       2.148991  0.6445532      2.121407  172.9304 64.88940 147.8186 61.46172 25.11180       89.37660 
1 1 1 15 18 11 o 99.05086 45.41194 -0.8768788     1.441409  0.7253516      2.072731  -2.377357      2.005835  146.9275 60.89230 103.1459 49.22955 43.78162       78.30339 
1 1 1 15 18 13 o 207.4052 53.63885 3.412166       1.586071  2.883704       2.548471  3.746266       2.026334  196.3172 71.18333 215.0913 62.72256 -18.77412      94.87459 
1 1 1 15 18 15 o 77.93822 38.20360 -2.629439      1.430149  -5.513484      2.177526  -0.4416928     1.896535  85.80743 42.91716 120.8646 54.06051 -35.05721      69.02479 
1 1 1 15 18 17 o 251.7128 43.94186 4.919806       1.508403  3.303459       2.213939  6.320146       2.060702  199.6260 66.71591 280.3459 53.89727 -80.71985      85.76671 
1 1 1 15 18 19 o 119.7228 52.89785 -0.8592167E-01 1.760369  -0.2429515     2.122137  0.2605344      3.152147  127.7552 57.16092 156.8279 69.95148 -29.07272      90.33594 
1 1 1 15 18 21 o 224.1680 58.18943 4.404850       1.861960  3.433522       2.239418  6.580097       3.351246  194.1113 67.06650 250.6930 82.01579 -56.58170      105.9458 
1 1 1 15 18 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 18 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 19 0  o 165.2607 78.70812 2.976115       2.102142  2.976115       2.102142  2.976115       2.102142  165.2607 78.70812 165.2607 78.70812 0.000000       0.000000 
1 1 1 15 19 2  o 357.3853 38.14034 9.373248       1.899261  10.79652       2.707479  7.994343       2.664946  378.4390 51.92059 321.0580 60.87946 57.38098       80.01285 
1 1 1 15 19 4  o 208.0436 52.78908 3.344988       1.556513  0.2498886      2.194069  6.480890       2.208484  143.5520 61.23888 289.9526 55.84620 -146.4006      82.87942 
1 1 1 15 19 6  f 165.2959 54.51377 1.998037       1.479362  3.086771       2.080005  0.8835310      2.104478  200.7717 64.53148 151.6887 61.94850 49.08296       89.45350 
1 1 1 15 19 8  o 289.3022 38.32297 6.218585       1.530474  5.870972       2.194523  6.547756       2.135516  272.9433 58.56697 290.7168 53.88934 -17.77350      79.58738 
1 1 1 15 19 10 o 342.7285 33.14094 8.626567       1.587409  9.683479       2.266890  7.609631       2.223606  357.6545 45.83896 313.5943 51.91882 44.06021       69.25874 
1 1 1 15 19 12 o 273.3070 42.06229 5.677241       1.574819  7.006591       2.465615  4.761243       2.046693  294.0833 61.23536 241.9926 60.04908 52.09074       85.76515 
1 1 1 15 19 14 o 212.7182 51.49015 3.617009       1.533240  3.096122       2.430496  3.961314       1.976035  197.1995 69.74661 218.9680 61.33506 -21.76849      92.87938 
1 1 1 15 19 16 o 158.5349 54.34589 1.919544       1.469540  1.481448       2.200710  2.272092       1.974182  159.1660 63.94474 172.8013 62.65230 -13.63530      89.52229 
1 1 1 15 19 18 o 156.2729 53.39659 1.912619       1.418384  -0.2246174     2.072091  3.797017       1.945669  126.3274 56.50532 209.9078 61.53152 -83.58044      83.54028 
1 1 1 15 19 20 o 137.3387 56.45185 1.052651       1.761883  -0.9594995     2.132905  5.375107       3.126128  116.3125 54.00273 228.6395 79.22740 -112.3269      95.88157 
1 1 1 15 19 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 19 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 20 1  o 102.9263 48.31427 -1.654616      1.785014  -1.452626      2.566387  -1.843906      2.484391  131.2751 60.33667 124.6675 58.01788 6.607643       83.70536 
1 1 1 15 20 3  f 229.7198 57.16921 4.155664       1.851142  7.857826       2.664325  0.7006955      2.573840  315.5360 61.87701 159.4357 67.09157 156.1003       91.26907 
1 1 1 15 20 5  o 148.3208 54.50856 1.417749       1.501752  0.9007282      2.138528  1.920767       2.109368  151.8180 62.27568 171.7629 64.32221 -19.94498      89.52992 
1 1 1 15 20 7  o 267.8132 40.23062 5.393754       1.477700  5.139559       2.106251  5.640152       2.073695  253.2685 59.73870 266.9684 56.64272 -13.69991      82.32320 
1 1 1 15 20 9  o 116.7229 49.89708 0.1499141      1.462041  -1.458271      2.113214  1.626477       2.024889  115.5223 53.67581 162.1198 62.47161 -46.59759      82.36379 
1 1 1 15 20 11 o 118.2349 49.77243 0.3240511      1.417354  0.5642542      2.068274  0.1113711      1.946176  141.7086 59.91393 130.8385 56.76003 10.87006       82.53108 
1 1 1 15 20 13 o 131.7661 52.36033 0.9000508      1.459337  0.5942580      2.241855  1.124906       1.922407  145.4384 61.96844 147.6449 59.60678 -2.206512      85.98288 
1 1 1 15 20 15 o 231.0564 46.48546 4.230629       1.467333  6.801384       2.263366  2.366840       1.927183  287.2271 57.68653 174.0113 62.04975 113.2158       84.72253 
1 1 1 15 20 17 o 138.0561 52.38197 1.287758       1.409237  2.623867       2.149059  0.2798061      1.866584  178.9086 65.29380 127.9290 55.54194 50.97955       85.72157 
1 1 1 15 20 19 o 159.2105 57.93785 2.077030       1.690371  2.234692       2.078935  1.769442       2.903762  165.5201 63.42337 165.4753 70.51638 0.4478455E-01  94.84241 
1 1 1 15 20 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 20 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 20 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 21 0  o 104.4623 66.10638 0.4825356      2.098689  0.4825356      2.098689  0.4825356      2.098689  104.4623 66.10638 104.4623 66.10638 0.000000       0.000000 
1 1 1 15 21 2  o 271.1492 52.12554 5.737436       1.927580  2.418168       2.652957  9.449254       2.805449  188.7822 71.81432 345.5381 59.51784 -156.7559      93.27202 
1 1 1 15 21 4  o 183.9350 53.91047 2.656724       1.493640  2.562731       2.136425  2.746592       2.089023  185.2487 65.40291 189.2547 64.79833 -4.005936      92.06717 
1 1 1 15 21 6  o 128.5204 51.72126 0.7352585      1.442398  1.985100       2.097019  -0.3870270     1.987131  170.8705 64.10341 124.9834 55.65706 45.88710       84.89379 
1 1 1 15 21 8  o 107.7240 47.51574 -0.2146174     1.414655  -1.181141      2.013703  0.7271976      1.987797  114.9146 53.04369 142.5575 59.40226 -27.64288      79.63832 
1 1 1 15 21 10 f 118.0847 49.72801 0.3388984      1.415676  -1.453511      1.986071  2.190240       2.018457  110.3890 51.53952 172.6781 63.23774 -62.28909      81.58022 
1 1 1 15 21 12 f 154.4637 54.10452 1.781650       1.459998  1.429535       2.260401  2.033702       1.912444  159.3086 64.51976 166.5234 61.45774 -7.214844      89.10585 
1 1 1 15 21 14 o 99.56547 45.21784 -0.5558571     1.386180  1.301486       2.110397  -1.965208      1.838348  152.6753 62.15434 98.75569 47.13288 53.91960       78.00430 
1 1 1 15 21 16 o 95.99080 44.36115 -0.8120908     1.414501  -3.430915      2.081128  1.436471       1.928404  93.56924 45.91057 149.8747 59.97906 -56.30549      75.53322 
1 1 1 15 21 18 o 178.5911 53.85654 2.769855       1.473948  1.945348       2.108222  3.558234       2.061517  158.8196 62.99067 195.6502 64.34386 -36.83057      90.04420 
1 1 1 15 21 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 21 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 21 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 22 1  o 108.2341 49.56518 -0.8937659     1.710512  -0.3002408     2.476640  -1.435107      2.365259  139.6418 62.16307 123.0750 57.04771 16.56686       84.37232 
1 1 1 15 22 3  o 175.4601 53.96682 2.425947       1.470285  2.613526       2.102698  2.246494       2.056660  184.3683 64.90247 175.2762 63.88904 9.092026       91.07217 
1 1 1 15 22 5  f 156.4417 54.01683 1.815061       1.452631  0.2207828      2.128850  3.204133       1.987126  137.2962 59.46350 198.2779 63.00492 -60.98169      86.63445 
1 1 1 15 22 7  o 195.7162 51.05365 3.072384       1.428632  4.384630       2.077963  1.896121       1.967354  229.0271 62.41848 165.0342 62.05265 63.99289       88.01476 
1 1 1 15 22 9  o 136.2988 52.08123 1.156976       1.399279  1.521876       1.959914  0.7776026      1.998407  155.8924 61.06998 142.1461 59.42039 13.74622       85.20754 
1 1 1 15 22 11 o 133.9094 52.49850 1.045809       1.449291  0.3204366      2.263265  1.549992       1.886901  139.9907 60.96479 154.1632 60.05790 -14.17255      85.57836 
1 1 1 15 22 13 o 133.2701 51.83863 1.097917       1.404068  -0.4871885     2.133636  2.308645       1.864725  124.2764 56.30502 170.0855 60.99173 -45.80911      83.00751 
1 1 1 15 22 15 o 113.9274 48.71157 0.3183111      1.393884  0.9392448      2.237957  -0.7523220E-01 1.781662  145.1312 61.87848 118.5475 52.75161 26.58370       81.31223 
1 1 1 15 22 17 o 84.09543 41.30693 -2.812302      1.699158  -0.1565281     3.258181  -3.804406      1.991399  145.5686 67.29208 86.65234 42.95925 58.91628       79.83559 
1 1 1 15 22 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 22 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 22 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 23 0  o 84.03052 57.05517 -0.8459381     2.043878  -0.8459381     2.043878  -0.8459381     2.043878  84.03052 57.05517 84.03052 57.05517 0.000000       0.000000 
1 1 1 15 23 2  f 139.1014 56.00785 0.9779181      1.692319  -0.3251833     2.402721  2.260782       2.383991  135.9332 60.82106 177.7496 67.96523 -41.81638      91.20567 
1 1 1 15 23 4  o 106.5149 47.16475 -0.2243807     1.406865  2.987022       2.027474  -3.206596      1.953788  191.0497 63.84450 92.49796 45.19471 98.55173       78.22200 
1 1 1 15 23 6  o 82.63696 39.78936 -1.848281      1.375909  0.7261460E-01  2.014520  -3.527829      1.883718  130.4550 57.14918 87.51263 43.08516 42.94241       71.57066 
1 1 1 15 23 8  o 151.7047 52.95013 1.740393       1.397614  1.413782       1.994841  2.055278       1.958705  153.0360 61.08427 166.3450 62.04509 -13.30904      87.06825 
1 1 1 15 23 10 o 130.7961 51.62326 0.9867542      1.409608  0.9312553      2.143566  1.029040       1.871076  145.9096 61.30312 142.0184 58.25317 3.891205       84.56657 
1 1 1 15 23 12 o 126.9101 50.89352 0.8850129      1.391390  0.8315915      2.100420  0.9267861      1.857367  141.7566 60.17526 138.3736 57.52009 3.383072       83.24435 
1 1 1 15 23 14 o 177.0733 52.23527 2.682839       1.398437  5.040252       2.192078  1.064982       1.815969  233.5416 64.29596 137.9864 57.07381 95.55528       85.97319 
1 1 1 15 23 16 o 90.10178 43.46929 -1.922574      1.661613  -4.685421      3.039730  -0.7452160     1.984316  108.1541 53.52224 112.4928 52.18052 -4.338707      74.74916 
1 1 1 15 23 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 23 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 23 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 24 1  o 113.8176 50.90403 -0.3233542     1.681135  1.382847       2.282459  -2.346551      2.485460  157.4835 64.43851 115.4751 55.02663 42.00835       84.73637 
1 1 1 15 24 3  o 114.9514 48.88734 0.2884381      1.390748  0.2516821      1.962067  0.3255519      1.971596  131.0255 56.91509 132.4672 57.29868 -1.441757      80.76179 
1 1 1 15 24 5  o 106.6107 46.86005 -0.8383147E-01 1.364702  3.820572       2.028577  -3.311764      1.844491  210.2008 63.13588 87.24072 42.88881 122.9600       76.32555 
1 1 1 15 24 7  o 109.7947 47.46621 0.1245635      1.351554  -0.1135526     1.959060  0.3408338      1.867033  124.4754 55.35689 129.1022 55.80073 -4.626862      78.60093 
1 1 1 15 24 9  f 96.02541 43.99043 -0.6343268     1.349030  -0.5862214     1.946253  -0.6788112     1.871572  116.7738 53.24516 113.3415 51.88235 3.432335       74.34262 
1 1 1 15 24 11 o 125.0067 50.70135 0.8437701      1.398185  -0.7578791     2.118068  2.080727       1.861373  118.2429 54.51580 161.1295 60.40577 -42.88659      81.36848 
1 1 1 15 24 13 o 82.54035 40.08488 -2.037933      1.473260  -2.047155      2.813638  -2.034450      1.729268  120.8072 57.83430 91.66683 44.25431 29.14034       72.82343 
1 1 1 15 24 15 o 89.65361 43.40228 -2.035757      1.692203  -6.681947      3.002887  0.1262650      2.048427  97.35513 48.93138 124.2748 55.83784 -26.91967      74.24381 
1 1 1 15 24 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 24 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 24 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 25 0  o 65.58530 46.67727 -2.356259      1.883137  -2.356259      1.883137  -2.356259      1.883137  65.58530 46.67727 65.58530 46.67727 0.000000       0.000000 
1 1 1 15 25 2  o 114.3884 51.00549 -0.1970683     1.674502  2.251509       2.454618  -2.328483      2.290135  172.9387 68.16361 108.7360 52.08804 64.20269       85.78719 
1 1 1 15 25 4  o 119.5394 49.57609 0.5830742      1.375256  3.400553       1.958022  -2.160153      1.932049  196.8183 62.54191 99.01345 47.53903 97.80489       78.55857 
1 1 1 15 25 6  o 140.8110 51.55210 1.471972       1.341251  1.086492       1.878415  1.872936       1.915768  141.1532 58.18215 158.0109 60.79717 -16.85768      84.15141 
1 1 1 15 25 8  o 86.95019 40.87887 -1.047038      1.286598  -0.2532894     1.839233  -1.807655      1.800438  116.8945 52.68230 97.13775 46.43823 19.75677       70.22774 
1 1 1 15 25 10 o 78.63662 38.15421 -1.859151      1.326742  -2.039748      2.040268  -1.726829      1.746411  101.4988 48.76348 95.31036 45.61098 6.188416       66.77004 
1 1 1 15 25 12 o 160.7045 55.05575 2.281556       1.508122  2.231708       3.014747  2.298194       1.741718  166.4244 71.40768 161.0538 58.78045 5.370575       92.48891 
1 1 1 15 25 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 25 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 25 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 26 1  o 130.6132 54.30029 0.8431121      1.655511  1.294810       2.286401  0.3453157      2.400237  150.4391 63.26583 138.3711 61.42015 12.06799       88.17596 
1 1 1 15 26 3  o 66.42626 33.25830 -3.365716      1.323549  -4.569324      1.854600  -2.116449      1.889449  78.22941 39.19704 96.85824 46.63441 -18.62883      60.91942 
1 1 1 15 26 5  o 82.05121 39.45952 -1.610796      1.343664  -0.9132313     1.905150  -2.301198      1.895344  109.3331 50.85606 95.00333 45.97809 14.32974       68.55891 
1 1 1 15 26 7  f 134.2199 50.26091 1.360643       1.287899  2.363863       1.888932  0.4891423      1.760564  164.4436 61.00789 124.4737 53.99228 39.96992       81.46858 
1 1 1 15 26 9  o 95.30383 44.45604 -0.8240787     1.472249  -1.506824      2.791972  -0.5611134     1.732730  122.6822 58.42164 106.9490 49.30851 15.73325       76.44878 
1 1 1 15 26 11 o 124.2643 52.11949 0.8439288      1.545319  4.671058       2.859236  -0.7352786     1.836678  203.2140 75.11993 107.0043 49.82705 96.20971       90.14288 
1 1 1 15 26 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 26 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 26 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 27 0  o 132.1845 72.39919 2.226463       1.939451  2.226463       1.939451  2.226463       1.939451  132.1845 72.39919 132.1845 72.39919 0.000000       0.000000 
1 1 1 15 27 2  o 182.3192 57.65825 3.066938       1.665906  1.632808       2.303416  4.639785       2.412244  151.3698 63.56941 212.3982 69.58896 -61.02837      94.25334 
1 1 1 15 27 4  o 156.7003 51.83287 2.151703       1.337115  3.172073       1.920106  1.191007       1.863114  181.6994 62.12575 137.2650 57.37639 44.43443       84.56748 
1 1 1 15 27 6  o 81.16953 38.98235 -1.433437      1.301153  -1.238649      1.891171  -1.608522      1.792971  102.9436 48.74900 96.31799 46.12584 6.625656       67.11228 
1 1 1 15 27 8  o 92.48152 43.46330 -0.9274728     1.452069  -1.788999      2.810925  -0.6138883     1.695869  119.0204 57.19580 104.1104 48.27388 14.91004       74.84470 
1 1 1 15 27 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 27 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 27 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 27 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 28 1  f 116.8820 50.64048 0.5137312      1.545110  2.058312       2.181398  -1.041425      2.188853  153.8294 62.97562 111.6328 52.73862 42.19662       82.14190 
1 1 1 15 28 3  o 87.90997 41.45927 -0.9552339     1.341967  0.6664532E-01  1.894405  -1.984533      1.901270  117.6141 53.19339 95.26550 46.09169 22.34859       70.38453 
1 1 1 15 28 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 28 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 28 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 28 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 28 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 29 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 30 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 30 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 30 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 30 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 30 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 31 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 31 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 15 31 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 0  0  f 3896.369 49.25056 1078.534       27.14780  1078.534       27.14780  1078.534       27.14780  3896.369 49.25056 3896.369 49.25056 0.000000       0.000000 
1 1 1 16 0  2  o 2012.150 22.68840 287.0327       6.458914  287.0327       6.458914  287.0327       6.458914  2012.150 22.68840 2012.150 22.68840 0.000000       0.000000 
1 1 1 16 0  4  o 1017.326 20.35894 73.41571       2.928482  73.41571       2.928482  73.41571       2.928482  1017.326 20.35894 1017.326 20.35894 0.000000       0.000000 
1 1 1 16 0  6  o 476.0310 27.96330 16.24139       1.868824  16.24139       1.868824  16.24139       1.868824  476.0310 27.96330 476.0310 27.96330 0.000000       0.000000 
1 1 1 16 0  8  f 377.2017 34.92299 10.36837       1.825497  10.36837       1.825497  10.36837       1.825497  377.2017 34.92299 377.2017 34.92299 0.000000       0.000000 
1 1 1 16 0  10 o 1016.711 21.13319 73.37479       3.037796  73.37479       3.037796  73.37479       3.037796  1016.711 21.13319 1016.711 21.13319 0.000000       0.000000 
1 1 1 16 0  12 o 482.9655 31.39813 16.78565       2.124960  16.78565       2.124960  16.78565       2.124960  482.9655 31.39813 482.9655 31.39813 0.000000       0.000000 
1 1 1 16 0  14 o 1013.514 22.54468 72.97976       3.230042  72.97976       3.230042  72.97976       3.230042  1013.514 22.54468 1013.514 22.54468 0.000000       0.000000 
1 1 1 16 0  16 o 67.98801 48.84272 -3.747397      2.264387  -3.747397      2.264387  -3.747397      2.264387  67.98801 48.84272 67.98801 48.84272 0.000000       0.000000 
1 1 1 16 0  18 o 500.1845 53.52419 18.66132       3.679472  18.66132       3.679472  18.66132       3.679472  500.1845 53.52419 500.1845 53.52419 0.000000       0.000000 
1 1 1 16 0  20 f 741.7069 34.31600 39.63853       3.584422  39.63853       3.584422  39.63853       3.584422  741.7069 34.31600 741.7069 34.31600 0.000000       0.000000 
1 1 1 16 0  22 o 112.4415 71.98830 0.4097864      2.576247  0.4097864      2.576247  0.4097864      2.576247  112.4415 71.98830 112.4415 71.98830 0.000000       0.000000 
1 1 1 16 0  24 o 429.5997 50.46912 14.08119       2.957521  14.08119       2.957521  14.08119       2.957521  429.5997 50.46912 429.5997 50.46912 0.000000       0.000000 
1 1 1 16 0  26 o 109.1165 71.73919 0.5945884E-01  2.803159  0.5945884E-01  2.803159  0.5945884E-01  2.803159  109.1165 71.73919 109.1165 71.73919 0.000000       0.000000 
1 1 1 16 0  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 0  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 1  1  f 689.4167 16.06262 33.68271       1.567177  33.73410       2.188904  33.62866       2.244798  689.0833 22.47587 687.9283 23.09033 1.154968       32.22310 
1 1 1 16 1  3  o 1000.993 14.35938 70.98965       2.034168  72.35966       2.912581  69.68505       2.842204  1009.966 20.37752 991.1391 20.26287 18.82733       28.73721 
1 1 1 16 1  5  o 1181.610 14.40648 98.92771       2.409084  99.00121       3.386443  98.85241       3.427854  1181.279 20.25683 1180.350 20.52067 0.9288330      28.83465 
1 1 1 16 1  7  o 680.7919 16.51488 32.85924       1.591145  31.32393       2.209461  34.51330       2.293317  663.6212 23.56330 696.6671 23.29326 -33.04590      33.13314 
1 1 1 16 1  9  f 234.1944 37.70682 4.020342       1.207307  6.273623       1.727552  1.869266       1.687918  292.6529 42.99246 168.0511 58.21754 124.6018       72.37149 
1 1 1 16 1  11 o 796.5206 16.06204 44.99390       1.810580  48.28637       2.625421  42.00789       2.500255  823.9560 22.53633 768.3945 23.01814 55.56146       32.21367 
1 1 1 16 1  13 o 1902.969 16.39212 256.8972       4.414552  255.7710       6.218660  258.0413       6.267870  1896.387 23.17129 1904.751 23.25209 -8.364258      32.82634 
1 1 1 16 1  15 o 931.2760 16.68140 61.55508       2.198521  64.57024       3.128556  58.61349       3.090157  952.4629 23.21005 906.9471 24.09704 45.51575       33.45705 
1 1 1 16 1  17 o 689.2210 20.37854 33.82722       1.985519  36.31364       2.835785  31.43608       2.780915  712.0871 28.19550 662.0052 29.75900 50.08185       40.99493 
1 1 1 16 1  19 f 684.8251 25.76529 33.61802       2.492639  34.09086       3.424118  33.08497       3.635629  685.7447 35.40293 674.1739 38.26260 11.57080       52.12862 
1 1 1 16 1  21 o 352.0385 40.77123 9.214523       1.993743  6.720874       2.783384  11.84223       2.857222  287.4483 69.24747 393.8197 52.57816 -106.3714      86.94639 
1 1 1 16 1  23 o 664.5017 25.70404 31.88080       2.412668  27.69921       3.369300  36.28143       3.456422  611.2990 39.15212 703.1650 34.84211 -91.86597      52.41051 
1 1 1 16 1  25 o 246.2660 57.06580 4.951344       1.949870  4.177531       2.701656  5.792656       2.817026  220.8507 73.69675 256.9626 73.66306 -36.11195      104.1991 
1 1 1 16 1  27 o 471.1451 51.24956 17.86539       3.362154  17.01472       4.654366  18.79367       4.862038  425.5150 80.23206 448.6399 79.48666 -23.12488      112.9394 
1 1 1 16 1  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 1  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 2  0  o 290.7469 45.54276 6.436609       1.736786  6.436609       1.736786  6.436609       1.736786  290.7469 45.54276 290.7469 45.54276 0.000000       0.000000 
1 1 1 16 2  2  o 555.1657 17.95037 21.87399       1.408460  24.06854       2.012740  19.76820       1.971623  581.6549 24.50624 526.7779 26.53243 54.87701       36.11822 
1 1 1 16 2  4  o 319.9592 27.65832 7.332574       1.240106  7.779153       1.759495  6.891755       1.748111  327.8146 38.66956 307.7975 41.16232 20.01709       56.47718 
1 1 1 16 2  6  o 1122.684 15.49773 89.33501       2.462326  87.20503       3.196085  92.44541       3.862245  1108.555 20.37236 1140.762 23.92352 -32.20715      31.42241 
1 1 1 16 2  8  o 484.3988 20.02974 16.68226       1.370125  17.32949       1.925590  16.01855       1.949939  492.6714 27.72956 473.3668 29.25028 19.30460       40.30518 
1 1 1 16 2  10 o 782.6695 16.27415 43.44231       1.802588  41.99799       2.502769  44.99914       2.598409  768.3509 23.04265 795.3415 23.10973 -26.99060      32.63470 
1 1 1 16 2  12 f 804.2073 17.54618 45.89282       1.996965  45.27200       2.654683  46.70204       3.030817  797.5128 23.54675 809.3912 26.49519 -11.87848      35.44637 
1 1 1 16 2  14 o 630.2333 20.68022 28.25849       1.841992  29.36786       2.861513  27.47355       2.406992  640.1923 31.68231 620.1180 27.49550 20.07428       41.94962 
1 1 1 16 2  16 o 972.8346 16.85482 67.19693       2.320507  64.44943       3.240656  70.08813       3.324329  950.7495 24.10446 991.8986 23.68192 -41.14911      33.79139 
1 1 1 16 2  18 o 893.3300 21.64630 56.87406       2.736626  58.90709       3.912329  54.92635       3.829351  905.4647 30.57507 874.1132 31.00460 31.35156       43.54446 
1 1 1 16 2  20 o 348.0103 46.60028 9.088919       2.237463  13.62647       3.648190  6.353046       2.832791  418.1207 63.65971 280.1200 71.29016 138.0007       95.57639 
1 1 1 16 2  22 o 145.4577 60.58905 0.6776050      2.066942  -0.8809875     2.633744  3.176780       3.335075  138.5019 62.67252 211.0988 80.46757 -72.59688      101.9945 
1 1 1 16 2  24 o 339.9617 44.81845 8.822493       2.103814  10.14461       3.026206  7.585834       2.926769  353.4239 62.80497 299.7067 70.23680 53.71716       94.22140 
1 1 1 16 2  26 o 145.1178 61.60914 0.7435189      2.202142  1.841537       3.076674  -0.4099025     3.153339  177.1125 73.85950 150.4307 68.27171 26.68182       100.5796 
1 1 1 16 2  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 2  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 3  1  o 1054.782 14.42152 78.82561       2.152751  81.29646       3.074753  76.44983       3.015025  1070.520 20.29531 1038.090 20.52278 32.43018       28.86320 
1 1 1 16 3  3  o 623.3974 16.87129 27.56865       1.487078  28.34308       2.133262  26.83659       2.074077  631.3033 23.92063 614.2744 23.90411 17.02893       33.81720 
1 1 1 16 3  5  o 797.8335 15.50084 45.11402       1.750198  45.18020       2.476245  45.04795       2.474064  797.4754 21.96191 796.3046 21.97492 1.170837       31.06804 
1 1 1 16 3  7  o 427.8432 22.20996 13.03453       1.340179  12.50900       1.865523  13.59501       1.926548  417.7114 31.79655 435.6217 31.46201 -17.91025      44.73119 
1 1 1 16 3  9  f 970.4711 15.35301 66.77113       2.108608  64.57521       2.875611  69.32509       3.101194  953.5329 21.30957 987.8273 22.18340 -34.29437      30.76038 
1 1 1 16 3  11 o 1091.168 15.20633 84.42283       2.348204  81.49483       3.215910  87.76689       3.436809  1071.045 21.21662 1111.363 21.85142 -40.31763      30.45701 
1 1 1 16 3  13 o 1880.306 16.37650 250.8294       4.357820  249.3176       6.130396  252.3737       6.195901  1872.206 23.13744 1883.600 23.24320 -11.39453      32.79615 
1 1 1 16 3  15 o 390.0912 28.61794 10.92302       1.568886  12.93664       2.244562  8.999477       2.193789  422.5720 37.93610 349.9100 45.36855 72.66199       59.13926 
1 1 1 16 3  17 o 281.1790 40.22769 5.826175       1.555206  3.994355       2.120816  7.957076       2.287406  227.7523 63.44988 325.9752 51.27516 -98.22292      81.57836 
1 1 1 16 3  19 o 560.9083 27.77600 22.62874       2.198003  24.00274       3.180588  21.37270       3.040998  573.0900 39.45695 540.3781 40.04946 32.71185       56.22108 
1 1 1 16 3  21 o 501.9395 30.65654 18.29248       2.167295  17.51167       3.107684  19.03183       3.024062  483.5179 45.96784 506.1467 42.61309 -22.62885      62.68108 
1 1 1 16 3  23 o 206.8486 61.65992 3.450897       1.940417  1.407691       2.701211  5.629433       2.789233  170.7173 70.00526 257.8269 73.09959 -87.10963      101.2141 
1 1 1 16 3  25 o 600.7380 27.05335 26.28266       2.294089  29.42505       3.270394  23.23848       3.218882  628.1168 36.95412 554.4208 41.32190 73.69604       55.43560 
1 1 1 16 3  27 o 526.5402 49.12656 22.12183       3.618481  17.97383       4.755611  27.82535       5.576462  437.0945 79.81993 556.4835 72.53323 -119.3890      107.8531 
1 1 1 16 3  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 3  31 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 4  0  o 1145.389 20.48910 93.04350       3.318807  93.04350       3.318807  93.04350       3.318807  1145.389 20.48910 1145.389 20.48910 0.000000       0.000000 
1 1 1 16 4  2  o 794.8824 15.59791 44.77888       1.754645  41.07653       2.379807  49.18895       2.597320  760.3929 22.13842 832.1656 22.07393 -71.77271      31.26288 
1 1 1 16 4  4  o 612.9763 17.45690 26.66300       1.512822  25.25728       2.096735  28.18941       2.184895  595.6973 24.92637 629.4316 24.57522 -33.73438      35.00379 
1 1 1 16 4  6  o 1818.288 15.63287 234.3622       4.022734  233.3185       5.628179  235.4523       5.751846  1812.675 21.93958 1820.833 22.32119 -8.158569      31.29825 
1 1 1 16 4  8  o 1040.441 15.90529 76.75431       2.341958  77.94246       3.135071  75.25412       3.522786  1047.652 21.14514 1028.859 24.19415 18.79260       32.13213 
1 1 1 16 4  10 f 938.6545 16.60319 62.49417       2.205551  63.03357       3.369581  62.08986       2.917315  940.8718 25.32917 934.7606 22.05277 6.111206       33.58410 
1 1 1 16 4  12 o 1229.233 15.27092 107.1553       2.656556  103.1916       3.672698  111.5046       3.847253  1204.975 21.53710 1252.528 21.70419 -47.55298      30.57644 
1 1 1 16 4  14 o 495.7753 22.43010 17.52078       1.569674  16.37502       2.190544  18.73000       2.250374  477.2809 32.62706 510.9044 31.27383 -33.62344      45.19489 
1 1 1 16 4  16 o 537.8068 22.48079 20.63209       1.707258  20.90986       2.428314  20.36059       2.400775  539.2285 31.96430 532.0568 32.03241 7.171692       45.25253 
1 1 1 16 4  18 o 836.2488 20.20294 49.81031       2.390946  50.83925       3.794488  49.13277       3.079110  840.1297 31.97278 828.2537 26.30225 11.87598       41.40129 
1 1 1 16 4  20 o 849.2999 22.39418 51.63306       2.689286  51.63994       3.826258  51.62635       3.780603  844.2812 32.08176 844.4061 31.69285 -0.1249390     45.09630 
1 1 1 16 4  22 o 938.0975 22.09772 63.09357       2.933697  69.52387       4.291811  57.45386       4.019330  978.1016 31.04468 888.3152 32.02418 89.78638       44.60180 
1 1 1 16 4  24 o 693.8122 28.07284 35.01281       2.750745  33.06847       4.108403  36.59265       3.703335  661.1906 44.15942 702.0084 37.41124 -40.81787      57.87620 
1 1 1 16 4  26 o 635.7383 31.71556 29.96253       2.844441  33.03053       4.077131  27.05322       3.970291  653.6793 44.33508 586.8601 48.22962 66.81921       65.51103 
1 1 1 16 4  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 4  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 5  1  o 394.8389 22.99611 11.10688       1.279412  11.06921       1.818992  11.14376       1.799883  392.7510 33.03188 394.1583 32.55673 -1.407349      46.37937 
1 1 1 16 5  3  o 257.9401 33.62563 4.822260       1.198272  5.230263       1.697917  4.417418       1.691328  266.1611 46.78344 243.3765 50.75132 22.78464       69.02454 
1 1 1 16 5  5  f 625.0295 17.40245 27.72553       1.537829  29.60650       2.160470  25.79376       2.189455  645.0964 23.70518 601.7632 25.76898 43.33319       35.01394 
1 1 1 16 5  7  o 352.1953 26.01384 8.871545       1.287454  9.223279       1.819288  8.518690       1.822185  357.3565 36.48462 342.9502 38.19127 14.40631       52.81761 
1 1 1 16 5  9  o 703.6512 16.81491 35.12041       1.674448  36.31521       2.360879  33.91104       2.375242  714.3345 23.38503 690.0882 24.35931 24.24628       33.76738 
1 1 1 16 5  11 o 1012.198 15.45229 72.65732       2.213493  74.36005       3.150167  70.99676       3.110905  1022.881 21.76149 999.4341 21.99443 23.44690       30.94055 
1 1 1 16 5  13 o 760.3566 17.77129 41.04230       1.912300  40.20231       2.734088  41.84676       2.675660  750.7649 25.77111 766.2268 24.70711 -15.46191      35.70142 
1 1 1 16 5  15 o 835.3052 17.57749 49.55278       2.077887  49.37834       2.910086  49.73423       2.967920  831.9858 24.74303 834.8703 25.14831 -2.884460      35.27967 
1 1 1 16 5  17 o 607.6970 23.54252 26.38429       2.020866  30.47496       3.195563  23.65801       2.608766  649.5487 34.89093 572.9451 32.30466 76.60364       47.54964 
1 1 1 16 5  19 o 336.1014 41.90799 8.383802       1.950178  9.866238       2.790986  6.969500       2.726094  358.5327 56.90463 296.0408 66.67596 62.49188       87.65741 
1 1 1 16 5  21 o 705.9753 24.51943 35.84373       2.446019  35.18098       3.419001  36.53858       3.500838  693.6970 34.93897 706.8772 35.10501 -13.18018      49.52872 
1 1 1 16 5  23 o 159.7780 61.18699 1.613375       1.934144  2.941777       2.832594  0.4530171      2.647376  198.9750 74.53267 154.4815 66.60660 44.49342       99.95778 
1 1 1 16 5  25 o 320.7260 46.03635 8.006351       2.029742  10.99151       2.856805  4.963305       2.884372  368.7562 56.54290 235.3837 76.02191 133.3725       94.74402 
1 1 1 16 5  27 o 177.2489 71.24865 2.371731       2.733758  5.826980       3.915583  -0.9142728     3.818481  236.1622 87.79476 154.1891 71.81422 81.97308       113.4249 
1 1 1 16 5  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 6  0  o 776.0121 22.57108 42.79465       2.474048  42.79465       2.474048  42.79465       2.474048  776.0121 22.57108 776.0121 22.57108 0.000000       0.000000 
1 1 1 16 6  2  o 361.7639 25.14911 9.346420       1.279544  11.18393       1.828586  7.583487       1.791093  394.6866 33.04025 323.1642 40.01723 71.52234       51.89448 
1 1 1 16 6  4  o 748.5853 17.47735 39.74269       1.851555  40.17178       2.482493  39.20474       2.779613  751.5870 23.36776 741.9429 26.51508 9.644043       35.34263 
1 1 1 16 6  6  o 1323.132 15.81512 124.1251       2.961387  123.6651       4.507915  124.4744       3.927824  1318.933 24.15090 1323.997 20.96261 -5.063721      31.97963 
1 1 1 16 6  8  o 1279.852 14.83153 116.1253       2.686367  122.5988       3.905714  110.3135       3.700759  1313.798 21.00643 1246.240 20.98309 67.55823       29.69108 
1 1 1 16 6  10 o 1485.908 15.27954 156.5681       3.213085  161.3884       4.610339  152.0155       4.480422  1506.997 21.61727 1462.573 21.64619 44.42358       30.59189 
1 1 1 16 6  12 o 485.8405 21.75968 16.81457       1.492322  18.37852       2.181336  15.43856       2.046077  506.3761 30.58148 463.7954 31.35713 42.58063       43.80064 
1 1 1 16 6  14 o 418.2762 26.04250 12.52275       1.533931  11.80123       2.088325  13.36815       2.260502  403.6402 36.96822 429.6499 37.55375 -26.00974      52.69661 
1 1 1 16 6  16 o 357.6483 31.88758 9.247668       1.597069  9.310499       2.268376  9.185910       2.248943  354.8077 46.27719 352.4137 46.20448 2.394043       65.39444 
1 1 1 16 6  18 o 512.9899 26.25035 18.89986       1.899404  19.51268       2.954938  18.46838       2.479502  515.9738 40.79882 504.2220 34.96400 11.75183       53.73104 
1 1 1 16 6  20 o 720.3981 24.60229 37.28960       2.504552  38.80121       3.599338  35.87065       3.487263  729.2655 34.97721 700.9494 35.26759 28.31610       49.67100 
1 1 1 16 6  22 f 642.9066 26.35558 29.87985       2.392867  28.41487       3.415733  31.29167       3.353184  619.0549 39.18951 651.6881 36.50371 -32.63324      53.55687 
1 1 1 16 6  24 o 516.3646 30.21504 19.54563       2.198354  18.90716       3.115713  20.17858       3.102215  497.7654 44.70527 515.7988 42.88592 -18.03342      61.94968 
1 1 1 16 6  26 o 559.1061 35.42910 23.55094       2.788912  21.56238       3.798564  25.87645       4.107794  516.4793 52.70730 567.3240 51.73171 -50.84473      73.85275 
1 1 1 16 6  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 6  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 7  1  o 976.6445 14.84799 67.60474       2.052221  67.12728       2.893398  68.08810       2.911241  972.3866 21.02565 979.3240 21.00545 -6.937378      29.72047 
1 1 1 16 7  3  o 796.4755 15.74460 44.97395       1.774696  43.60563       2.482116  46.40507       2.538430  783.1845 22.41740 807.9855 22.22053 -24.80096      31.56409 
1 1 1 16 7  5  o 1426.545 14.99467 144.2622       3.027209  144.2017       4.276412  144.3230       4.285843  1424.949 21.20608 1425.539 21.24405 -0.5898438     30.01679 
1 1 1 16 7  7  o 507.5710 20.43742 18.32477       1.465054  18.18921       2.083416  18.45736       2.060571  504.3080 29.31818 508.1226 28.77250 -3.814636      41.07812 
1 1 1 16 7  9  o 1042.400 15.18009 77.05021       2.239384  77.76951       3.123155  76.28909       3.212677  1046.229 21.09341 1036.058 21.91105 10.17188       30.41424 
1 1 1 16 7  11 o 916.1471 16.01037 59.54161       2.075804  60.51557       2.909852  58.53236       2.962106  922.5154 22.28833 906.8201 23.10007 15.69537       32.09958 
1 1 1 16 7  13 o 721.1671 18.10630 36.95883       1.846468  36.09360       2.590861  37.85192       2.632230  711.1091 25.78742 728.2963 25.57824 -17.18719      36.32131 
1 1 1 16 7  15 o 610.6719 20.90355 26.56956       1.803877  24.67392       2.503681  28.61583       2.601251  586.2402 30.28014 631.7637 29.17305 -45.52350      42.04704 
1 1 1 16 7  17 o 353.5473 35.65451 9.116130       1.759603  8.151772       2.715110  9.814471       2.310481  324.9791 61.28212 363.5552 45.93001 -38.57614      76.58370 
1 1 1 16 7  19 o 331.4527 43.07060 8.208192       1.972596  7.660427       2.750506  8.788306       2.830561  310.3318 64.72587 334.3074 62.11422 -23.97568      89.70850 
1 1 1 16 7  21 o 761.9494 23.43271 41.73240       2.523782  42.35147       3.622688  41.14860       3.517951  761.2821 33.70883 750.7343 33.19394 10.54785       47.30881 
1 1 1 16 7  23 f 144.5002 59.04613 0.9330324      1.913230  2.696688       2.767951  -0.6804659     2.647498  192.4761 73.32210 139.1251 62.90673 53.35097       96.60945 
1 1 1 16 7  25 o 133.3654 58.57748 0.1164875      2.128999  -2.533678      2.897985  3.223896       3.138042  124.7206 59.42828 198.9749 77.46899 -74.25432      97.63793 
1 1 1 16 7  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 7  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 8  0  f 581.3364 29.63875 24.18213       2.423872  24.18213       2.423872  24.18213       2.423872  581.3364 29.63875 581.3364 29.63875 0.000000       0.000000 
1 1 1 16 8  2  o 416.9391 25.35872 12.40952       1.489228  16.07668       2.338850  9.908917       1.931346  473.0314 35.18965 370.3207 37.36245 102.7107       51.32508 
1 1 1 16 8  4  o 397.2317 24.46482 11.26317       1.368654  11.63004       1.885801  10.85484       1.989498  402.1888 33.43394 387.8207 36.68474 14.36807       49.63465 
1 1 1 16 8  6  o 697.6946 17.25353 34.53461       1.703583  36.08105       2.415373  33.00380       2.403133  711.8781 24.00937 680.6319 24.99101 31.24615       34.65545 
1 1 1 16 8  8  o 982.6508 15.51560 68.47825       2.157682  70.08725       3.044204  66.85390       3.058695  993.0834 21.66049 969.7832 22.28649 23.30023       31.07836 
1 1 1 16 8  10 o 873.1297 16.29074 54.08628       2.012980  54.91647       2.823730  53.22841       2.870411  878.4259 22.73335 864.6446 23.47950 13.78131       32.68167 
1 1 1 16 8  12 o 540.1813 21.47257 20.78465       1.638239  23.43317       2.376838  18.38773       2.261130  572.0029 29.46099 506.0039 31.73542 65.99893       43.30227 
1 1 1 16 8  14 f 355.6928 31.11785 9.128841       1.550647  9.986123       2.186759  8.261788       2.199187  369.1552 42.64023 333.7785 47.93000 35.37671       64.15196 
1 1 1 16 8  16 o 181.7272 57.44915 2.447735       1.653988  3.803403       2.604291  1.531258       2.141280  223.6802 72.23624 166.9244 64.26315 56.75583       96.68417 
1 1 1 16 8  18 o 340.6461 38.02826 8.551323       1.802049  6.653705       2.829365  9.846485       2.337474  287.1162 70.22330 362.3812 46.66036 -75.26492      84.31194 
1 1 1 16 8  20 o 563.1469 27.95233 22.94926       2.220752  21.14518       3.144129  24.74529       3.137117  533.1215 42.01225 579.1689 38.49260 -46.04742      56.97990 
1 1 1 16 8  22 o 468.1360 32.21955 16.08278       2.121556  15.54324       2.990353  16.62959       3.010415  450.8869 47.58018 467.5476 46.09573 -16.66074      66.24718 
1 1 1 16 8  24 o 377.9262 37.17912 10.74771       1.962784  11.59529       2.778581  9.903528       2.773020  381.7041 52.85368 348.3270 58.31241 33.37704       78.70100 
1 1 1 16 8  26 o 348.9116 46.74142 9.715788       2.250002  5.447708       2.925971  15.89139       3.519600  236.9896 76.57051 434.0207 58.81308 -197.0311      96.55061 
1 1 1 16 8  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 8  30 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 9  1  f 961.8637 15.16143 65.59460       2.063828  61.79685       2.877459  69.61813       2.961753  932.6295 21.80119 990.0101 21.13924 -57.38068      30.36708 
1 1 1 16 9  3  f 471.5899 21.52326 15.83265       1.432669  14.10353       2.027934  17.55552       2.024272  443.2504 32.55555 495.4601 28.99632 -52.20972      43.59645 
1 1 1 16 9  5  o 751.1466 16.86323 40.02685       1.792608  40.66407       2.522500  39.37670       2.547952  755.8116 23.61190 743.6191 24.24385 12.19250       33.84208 
1 1 1 16 9  7  o 522.9631 21.14163 19.46502       1.561468  20.02996       2.239275  18.93034       2.178480  528.9686 30.03627 514.1907 30.06829 14.77795       42.50035 
1 1 1 16 9  9  o 642.2648 18.86260 29.31780       1.712634  30.96854       2.438729  27.71150       2.405670  658.7834 26.21011 622.8844 27.35707 35.89899       37.88639 
1 1 1 16 9  11 o 386.3862 27.79617 10.70749       1.509783  13.69444       2.138148  7.737220       2.132175  435.6548 34.97328 323.3527 48.05230 112.3021       59.43193 
1 1 1 16 9  13 o 1077.611 16.38735 82.44623       2.499141  85.32186       3.595435  79.75814       3.476216  1094.400 23.21430 1058.116 23.21419 36.28357       32.82991 
1 1 1 16 9  15 f 558.8520 22.81829 22.30981       1.800882  22.91691       2.566529  21.72100       2.527582  563.7778 32.30280 548.6974 32.69842 15.08044       45.96366 
1 1 1 16 9  17 o 477.1521 28.01643 16.41222       1.883537  15.01013       2.906708  17.42711       2.472992  449.0889 46.40258 488.8615 35.99761 -39.77252      58.72842 
1 1 1 16 9  19 o 154.4373 58.83239 1.437205       1.782073  5.695972       2.576301  -2.469994      2.467672  263.8004 68.43249 117.4239 55.62960 146.3765       88.19103 
1 1 1 16 9  21 o 399.3669 36.33396 11.81869       2.031088  11.23748       2.904922  12.37458       2.840931  378.1585 55.96789 400.1221 51.35298 -21.96365      75.95744 
1 1 1 16 9  23 o 140.9632 56.96542 0.9877672      1.757735  -0.2388111     2.551703  2.095355       2.424776  140.9208 62.89143 175.2014 68.13041 -34.28056      92.72046 
1 1 1 16 9  25 o 107.6511 50.72718 -1.548287      2.001452  -2.461677      2.705811  -0.4447550     2.974142  119.1300 56.94579 144.0391 65.73220 -24.90909      86.96864 
1 1 1 16 9  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 9  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 10 0  o 1050.183 21.50657 78.30180       3.193337  78.30180       3.193337  78.30180       3.193337  1050.183 21.50657 1050.183 21.50657 0.000000       0.000000 
1 1 1 16 10 2  o 561.4164 20.80897 22.42132       1.650453  21.02039       2.180105  24.30225       2.526122  542.2967 28.50681 582.7446 30.73938 -40.44788      41.92311 
1 1 1 16 10 4  f 481.2913 22.74862 16.50618       1.545084  17.93666       2.335236  15.39239       2.060600  499.8466 33.20036 463.1997 31.62412 36.64691       45.85138 
1 1 1 16 10 6  o 596.9080 19.49827 25.33129       1.644902  27.25690       2.327097  23.40851       2.325390  617.9572 26.67228 572.1625 28.81087 45.79474       39.26165 
1 1 1 16 10 8  o 909.2119 16.51746 58.65810       2.125339  55.54321       2.927513  62.12942       3.090469  883.1932 23.44269 934.1363 23.39571 -50.94312      33.11977 
1 1 1 16 10 10 o 519.1040 22.69340 19.21306       1.663118  23.10184       2.358147  15.36454       2.345910  567.9075 29.44142 461.2592 36.22792 106.6483       46.68254 
1 1 1 16 10 12 o 677.6536 19.36554 32.67249       1.855289  32.84445       2.579497  32.48820       2.670413  677.7108 26.94868 673.7197 28.06932 3.991089       38.91167 
1 1 1 16 10 14 o 733.8281 19.16860 38.33859       1.988990  35.86574       2.777250  40.94244       2.849868  707.3624 27.79710 756.2172 26.67097 -48.85486      38.52298 
1 1 1 16 10 16 o 247.0550 50.51073 4.672207       1.706371  2.306508       2.730594  6.187951       2.185699  191.8672 72.88821 282.9752 56.55755 -91.10799      92.25751 
1 1 1 16 10 18 o 106.6551 48.41101 -0.7554482     1.586192  0.1108781      2.508039  -1.332961      2.047739  148.4727 64.42215 115.7371 53.44707 32.73564       83.70665 
1 1 1 16 10 20 o 915.3296 27.26674 60.61861       3.528142  61.14542       5.131150  60.14620       4.859053  907.8689 40.03512 902.3339 38.13686 5.534973       55.29223 
1 1 1 16 10 22 o 129.1161 55.19424 0.3095038      1.788902  -0.4828254     2.520913  1.113220       2.538963  137.6623 61.89082 160.5639 67.03737 -22.90164      91.23860 
1 1 1 16 10 24 f 168.3949 60.15427 2.238896       1.812042  1.823024       2.513946  2.688606       2.614223  167.7377 68.00259 184.5237 71.01469 -16.78600      98.32314 
1 1 1 16 10 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 10 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 11 1  o 291.8092 32.69128 6.160561       1.326873  7.935268       1.898341  4.465307       1.855360  329.6842 41.61225 243.0849 55.19683 86.59926       69.12502 
1 1 1 16 11 3  o 587.4069 19.17369 24.52892       1.591778  24.78612       2.268157  24.27930       2.234448  589.0961 27.28023 583.0544 27.15413 6.041687       38.49100 
1 1 1 16 11 5  o 412.9699 25.46130 12.19145       1.480819  11.03260       2.032538  13.50242       2.161824  390.4573 37.23312 432.6735 35.62054 -42.21625      51.52794 
1 1 1 16 11 7  o 1152.452 15.60261 94.22105       2.544721  92.02705       3.542636  96.55988       3.657678  1137.517 22.00639 1165.147 22.18221 -27.63037      31.24631 
1 1 1 16 11 9  o 365.0971 29.40622 9.584764       1.506541  8.317788       2.113546  10.89340       2.148013  336.0498 45.61830 386.9567 39.79071 -50.90683      60.53371 
1 1 1 16 11 11 f 168.5213 54.20774 2.047352       1.467525  1.322997       2.115035  2.719837       2.037901  163.0273 63.56386 194.0558 63.98167 -31.02858      90.18879 
1 1 1 16 11 13 o 350.3011 33.01391 8.898261       1.617359  9.586329       2.207263  8.100495       2.376708  360.4021 44.20028 327.8926 53.02737 32.50952       69.03308 
1 1 1 16 11 15 o 633.7625 21.33943 28.69141       1.911214  28.98915       2.682570  28.38449       2.723626  634.1586 29.97536 627.1830 30.77952 6.975525       42.96395 
1 1 1 16 11 17 o 386.6833 32.78946 10.92009       1.777457  11.39163       2.729616  10.57295       2.342064  386.7755 51.11843 375.4042 44.97823 11.37128       68.08916 
1 1 1 16 11 19 o 355.5917 39.05248 9.430747       1.932957  10.74135       2.776528  8.198151       2.692629  371.3619 54.44709 319.4788 61.78938 51.88315       82.35541 
1 1 1 16 11 21 o 861.2671 21.84037 53.37721       2.659911  47.65004       3.621138  60.08865       3.919972  806.2261 31.79956 906.6494 30.59471 -100.4233      44.12764 
1 1 1 16 11 23 f 249.6215 55.42419 5.145225       1.906921  7.204512       2.681356  3.037822       2.712501  287.7216 67.09091 193.2509 72.81919 94.47067       99.01427 
1 1 1 16 11 25 o 107.0014 51.63204 -2.641696      2.346883  -4.414959      2.919462  0.5973052      3.945680  109.8611 53.99915 167.5908 76.18121 -57.72970      93.37818 
1 1 1 16 11 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 11 29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 12 0  o 1118.029 21.76199 88.76340       3.440330  88.76340       3.440330  88.76340       3.440330  1118.029 21.76199 1118.029 21.76199 0.000000       0.000000 
1 1 1 16 12 2  f 111.6530 47.28693 0.8674736E-01  1.291991  1.667485       1.836291  -1.462905      1.818146  165.1508 60.34281 108.0455 50.05874 57.10530       78.40365 
1 1 1 16 12 4  o 409.0925 25.47836 11.96816       1.467748  10.99938       2.065988  12.95540       2.085571  389.5698 37.95403 423.7617 35.09063 -34.19193      51.69004 
1 1 1 16 12 6  o 393.0738 29.79013 11.10117       1.644829  12.51632       2.151052  9.108719       2.552373  415.8987 36.92987 349.7712 53.24074 66.12753       64.79500 
1 1 1 16 12 8  o 915.9136 17.82248 59.58396       2.310163  59.65132       3.477668  59.53075       3.090604  913.8544 26.91937 913.8281 23.91843 0.2636719E-01  36.01033 
1 1 1 16 12 10 o 641.3730 20.15072 29.29006       1.826762  30.54781       2.625767  28.11028       2.543080  653.0065 28.48161 626.2836 28.76940 26.72290       40.48309 
1 1 1 16 12 12 o 566.7443 22.72746 22.94200       1.819182  24.24541       2.578293  21.64981       2.567166  580.1852 31.51954 547.5970 33.28349 32.58826       45.83963 
1 1 1 16 12 14 o 341.7462 34.46542 8.524206       1.644142  8.121043       2.273729  8.966033       2.380264  327.8466 50.63533 344.9529 50.23234 -17.10632      71.32478 
1 1 1 16 12 16 o 415.6633 31.11203 12.56650       1.816886  18.36170       2.864738  8.666849       2.349980  498.2404 40.99027 336.8749 50.87596 161.3654       65.33427 
1 1 1 16 12 18 o 294.9689 41.33286 6.556981       1.678118  6.306685       2.569933  6.743033       2.215706  277.0281 66.41339 292.4709 55.56249 -15.44272      86.59058 
1 1 1 16 12 20 o 495.4433 29.51352 17.93383       2.059976  15.16008       2.810370  21.15448       3.028315  446.0664 45.13947 530.9857 40.60745 -84.91931      60.71686 
1 1 1 16 12 22 o 138.9051 56.62455 0.9383414      1.754409  -1.762060      2.420080  3.929415       2.547001  119.4110 56.11653 212.6306 71.56439 -93.21951      90.94244 
1 1 1 16 12 24 o 414.6201 45.61008 13.65047       2.632128  11.53742       3.171626  18.32594       4.717799  362.8372 64.11015 438.5087 78.92427 -75.67145      101.6816 
1 1 1 16 12 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 12 28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 13 1  o 784.9191 17.40404 43.74036       1.933280  44.70921       2.715920  42.74517       2.752589  791.9629 24.26079 774.1413 25.15814 17.82159       34.95021 
1 1 1 16 13 3  o 441.2628 24.77569 13.91551       1.540974  10.71409       2.126314  17.45695       2.236381  383.8012 39.72067 492.8123 32.24306 -109.0111      51.16001 
1 1 1 16 13 5  o 408.9236 27.07235 11.98440       1.557887  8.673817       2.162207  15.55841       2.246586  343.1862 45.65040 464.4869 34.42129 -121.3007      57.17328 
1 1 1 16 13 7  o 573.9548 21.42887 23.47515       1.737535  25.73038       2.500175  21.36844       2.416454  599.0618 29.58178 545.3190 31.44516 53.74286       43.17267 
1 1 1 16 13 9  o 516.7463 23.54910 19.07570       1.717625  18.07103       2.429017  20.08049       2.429161  500.1908 34.52613 527.9327 32.67318 -27.74191      47.53514 
1 1 1 16 13 11 o 441.2152 26.67586 13.97673       1.657888  15.99663       2.387776  12.09657       2.303699  469.3796 36.22604 406.4137 40.59585 62.96591       54.40909 
1 1 1 16 13 13 o 239.0499 47.46591 4.345798       1.549146  2.127996       2.113943  6.918365       2.276751  178.4292 64.81211 300.0369 55.66842 -121.6077      85.43760 
1 1 1 16 13 15 o 625.8648 22.77198 28.08859       2.013616  26.90482       3.032603  29.02203       2.692928  606.8288 35.46720 633.0715 30.14405 -26.24268      46.54660 
1 1 1 16 13 17 o 414.9722 30.04641 12.55436       1.752589  11.34528       2.665463  13.47518       2.326119  384.4962 50.18100 425.8017 39.03547 -41.30542      63.57594 
1 1 1 16 13 19 o 278.4880 41.07436 5.895587       1.570274  4.605269       2.408780  6.849176       2.070759  233.6020 68.46029 295.1988 51.43574 -61.59683      85.62971 
1 1 1 16 13 21 o 534.4760 28.17049 20.91327       2.123274  20.13810       2.981630  21.71082       3.024353  514.7446 41.27571 535.4978 40.20101 -20.75323      57.61775 
1 1 1 16 13 23 o 169.5593 61.42408 2.340365       1.897003  2.608755       2.428773  1.920495       3.037815  178.8657 68.54850 173.0543 72.85913 5.811371       100.0367 
1 1 1 16 13 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 13 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 14 0  o 105.4856 65.53952 0.5869856      1.964289  0.5869856      1.964289  0.5869856      1.964289  105.4856 65.53952 105.4856 65.53952 0.000000       0.000000 
1 1 1 16 14 2  o 107.4876 47.69293 -0.4484416     1.445828  -2.145221      2.045468  1.245825       2.043953  108.6360 51.21908 159.8755 62.44292 -51.23956      80.76208 
1 1 1 16 14 4  o 224.2423 49.09394 3.799363       1.514695  4.577782       2.128243  3.000331       2.156237  244.0061 61.62548 202.4458 65.75746 41.56035       90.12072 
1 1 1 16 14 6  o 649.3361 20.12031 30.02213       1.846714  26.23639       2.541183  34.25896       2.688320  604.6944 29.78646 691.8508 27.51158 -87.15643      40.54775 
1 1 1 16 14 8  f 341.4294 37.23652 8.505974       1.770117  5.789854       2.285979  12.57332       2.797391  274.0585 60.55544 411.9235 48.94185 -137.8650      77.86055 
1 1 1 16 14 10 o 367.4254 41.39884 9.931475       2.115241  9.021745       2.714006  11.33913       3.376003  343.8978 57.81413 383.3307 64.52048 -39.43295      86.63351 
1 1 1 16 14 12 o 402.8580 39.23354 11.92721       2.208506  15.21255       3.592844  9.931924       2.799958  446.1994 58.28928 359.9894 56.84389 86.20999       81.41786 
1 1 1 16 14 14 o 198.6563 53.25103 3.084297       1.527502  2.781462       2.134463  3.402200       2.186920  192.2626 65.50712 208.0560 66.09464 -15.79347      93.05742 
1 1 1 16 14 16 o 206.6324 53.23579 3.381875       1.566362  3.297519       2.435724  3.441360       2.045393  204.5869 69.97127 206.9076 63.65472 -2.320755      94.59335 
1 1 1 16 14 18 o 254.0953 46.38718 5.014791       1.606625  2.978756       2.418817  6.622258       2.149223  195.1240 69.52205 288.3883 54.66039 -93.26437      88.43684 
1 1 1 16 14 20 o 159.5204 58.50191 1.845131       1.728407  1.756008       2.405615  1.940233       2.484992  167.6003 67.01832 172.1320 68.35026 -4.531662      95.72467 
1 1 1 16 14 22 o 164.1410 59.80038 2.128706       1.801525  1.398877       2.269062  3.373302       2.963124  154.9915 63.92243 196.5177 75.61182 -41.52623      99.01124 
1 1 1 16 14 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 14 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 15 1  o 222.1242 47.78567 3.726178       1.457551  3.745262       2.025714  3.705691       2.098806  221.1231 62.15947 220.1816 63.72626 0.9414978      89.02155 
1 1 1 16 15 3  o 601.5391 21.40932 25.79597       1.819673  29.50443       2.631315  22.39689       2.519161  641.4210 29.06294 557.8398 32.04483 83.58118       43.26113 
1 1 1 16 15 5  o 237.2067 47.50090 4.243869       1.538936  4.270235       2.134136  4.215307       2.221244  234.9461 62.92731 233.4016 64.90165 1.544418       90.39951 
1 1 1 16 15 7  o 222.1273 59.27651 3.810532       1.897987  3.275503       2.657887  4.367251       2.711226  212.3861 73.07788 237.2567 73.33876 -24.87062      103.5324 
1 1 1 16 15 9  f 400.6446 35.93507 11.69981       2.015881  11.50011       2.858365  11.89744       2.843467  390.6459 53.07431 398.0361 51.69873 -7.390198      74.09212 
1 1 1 16 15 11 o 307.6773 46.13646 7.122919       1.947044  4.830119       2.624445  9.929734       2.903765  245.1339 71.35275 358.1115 59.37447 -112.9776      92.82533 
1 1 1 16 15 13 o 433.7910 34.34644 13.78030       2.091345  14.58723       3.026310  13.04271       2.893381  438.6313 49.62264 414.0802 50.41202 24.55115       70.73739 
1 1 1 16 15 15 f 296.0677 52.37923 6.846138       2.114391  6.992578       3.373202  6.751364       2.713667  283.4464 80.39697 285.3990 68.13277 -1.952545      105.3838 
1 1 1 16 15 17 f 183.5508 55.28339 2.686396       1.553782  5.876329       2.407662  0.4096695      2.034043  265.5066 64.68213 138.0262 58.92483 127.4804       87.49808 
1 1 1 16 15 19 o 118.5505 50.65132 0.2483201      1.505127  -0.6150178     2.268760  0.9269820      2.011523  128.1937 58.07211 145.0020 60.03055 -16.80832      83.52267 
1 1 1 16 15 21 o 109.5886 50.50436 -0.8598053     1.815091  0.7946949E-01  2.258043  -2.574962      3.051320  134.4108 59.62250 126.4468 60.45120 7.963997       84.90695 
1 1 1 16 15 23 o 127.9782 56.46109 0.2296724      1.998401  2.351397       2.299260  -6.323610      4.040854  169.7009 66.24318 122.6243 60.86233 47.07661       89.95766 
1 1 1 16 15 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 15 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 16 0  o 259.4865 68.23315 5.771809       2.164845  5.771809       2.164845  5.771809       2.164845  259.4865 68.23315 259.4865 68.23315 0.000000       0.000000 
1 1 1 16 16 2  o 214.5977 52.48031 3.523535       1.580370  4.386128       2.229165  2.651880       2.240842  237.4681 64.62081 193.7797 67.08122 43.68834       93.14365 
1 1 1 16 16 4  o 228.6466 50.64464 3.988710       1.595553  3.638439       2.260318  4.336595       2.252607  217.8230 66.89784 235.8151 65.27716 -17.99210      93.46887 
1 1 1 16 16 6  o 240.4725 56.43082 4.471406       1.887212  5.970537       2.698201  3.035628       2.640573  274.3494 69.44313 206.2720 72.72135 68.07739       100.5522 
1 1 1 16 16 8  o 195.0529 61.18842 2.893860       1.879751  1.269842       2.535323  4.876451       2.801266  169.3269 68.41953 247.0177 74.19161 -77.69078      100.9239 
1 1 1 16 16 10 o 235.3144 58.64006 4.368122       1.945712  5.010200       2.745845  3.720583       2.757498  248.2285 73.18679 219.1689 74.45991 29.05966       104.4059 
1 1 1 16 16 12 o 104.3644 48.61449 -1.377908      1.750755  0.1059090      2.463400  -2.892329      2.488675  146.7057 63.74930 114.2030 54.59674 32.50266       83.93317 
1 1 1 16 16 14 o 167.0763 65.29146 1.689163       2.235700  1.724355       3.240984  1.657214       3.088070  184.5464 76.28124 181.1019 74.61925 3.444534       106.7092 
1 1 1 16 16 16 o 251.3484 59.20243 5.171686       2.070943  5.350391       3.271611  5.052205       2.675124  245.5324 81.07211 242.0599 72.45579 3.472458       108.7314 
1 1 1 16 16 18 o 179.5663 63.09615 2.555299       1.986637  0.1460921      3.222086  4.032894       2.523351  158.9936 70.83285 215.7316 71.19853 -56.73799      100.4317 
1 1 1 16 16 20 o 121.4574 53.77763 -0.4645314E-01 1.828728  -0.9879656     2.239581  1.837303       3.167860  120.6656 55.78379 174.5931 73.99842 -53.92750      92.66929 
1 1 1 16 16 22 o 108.3759 51.22716 -1.504890      2.070291  -0.7296330     2.341411  -4.282953      4.432265  123.8161 57.16844 138.7097 67.83729 -14.89355      88.71375 
1 1 1 16 16 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 16 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 17 1  o 401.0685 30.17912 11.62476       1.700385  10.94413       2.393114  12.31875       2.416472  384.2770 44.84682 408.9165 42.37005 -24.63947      61.69650 
1 1 1 16 17 3  o 488.9354 25.83990 17.16527       1.781630  17.16462       2.530746  17.16591       2.508611  485.2100 37.13745 485.3583 36.79585 -0.1482544     52.27930 
1 1 1 16 17 5  o 111.5562 50.90938 -0.9900872     1.784108  -0.9938322     2.487488  -0.9861197     2.560308  134.8782 60.98227 137.1260 61.94585 -2.247787      86.92598 
1 1 1 16 17 7  o 591.5330 27.45728 25.20548       2.292291  24.35230       3.197770  26.10730       3.287678  576.0256 39.46550 596.6716 39.15075 -20.64606      55.59053 
1 1 1 16 17 9  o 468.4474 32.10287 15.98253       2.115394  17.68409       3.017773  14.33871       2.966133  486.8001 44.28860 435.4678 48.97812 51.33228       66.03284 
1 1 1 16 17 11 o 183.3008 61.11636 2.573020       1.858078  5.690630       2.651513  -0.4351456     2.604556  261.5192 70.18443 142.6447 63.60812 118.8745       94.71984 
1 1 1 16 17 13 o 446.4120 32.39379 14.63150       2.032603  14.56690       2.859663  14.69747       2.889641  436.9246 46.98502 438.6921 47.29032 -1.767456      66.66309 
1 1 1 16 17 15 f 266.5394 56.91855 5.763844       2.081720  7.356706       3.257748  4.664568       2.706337  287.2001 78.10529 232.2096 73.49660 54.99049       107.2483 
1 1 1 16 17 17 f 119.3496 54.25438 -0.6770162     2.001457  -2.862357      3.391876  0.4903548      2.479048  134.6421 64.19415 147.8834 64.10816 -13.24130      90.72346 
1 1 1 16 17 19 o 138.8651 60.70656 0.3948674      2.262681  2.348212       3.360218  -1.225621      3.060560  183.2826 76.86320 137.8005 64.21869 45.48212       100.1598 
1 1 1 16 17 21 f 262.3133 54.46902 5.899153       1.955830  4.557508       2.463654  8.185886       3.216388  216.8373 70.27791 284.1206 77.74794 -67.28329      104.8033 
1 1 1 16 17 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 17 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 18 0  o 254.0211 70.66128 5.679167       2.197406  5.679167       2.197406  5.679167       2.197406  254.0211 70.66128 254.0211 70.66128 0.000000       0.000000 
1 1 1 16 18 2  o 164.3680 55.43913 1.948328       1.528490  2.109471       2.127488  1.776416       2.197431  177.4033 64.93047 171.3435 65.31608 6.059769       92.09862 
1 1 1 16 18 4  o 452.7470 27.20719 14.79233       1.735205  16.31351       2.482927  13.34014       2.425965  471.5122 37.51844 424.6762 40.86925 46.83600       55.47908 
1 1 1 16 18 6  o 272.6956 51.58576 5.748070       1.917899  7.586774       2.725800  3.945295       2.699037  307.7967 64.63704 222.6967 73.64114 85.09999       97.98450 
1 1 1 16 18 8  o 172.8897 61.34641 2.148074       1.881587  -0.3326432     2.698719  4.494676       2.624754  146.6919 65.11965 233.6838 72.14689 -86.99188      97.18921 
1 1 1 16 18 10 o 249.2204 45.00629 4.776482       1.528963  4.878316       2.191354  4.679879       2.134333  244.0546 63.01345 239.2790 62.39428 4.775604       88.67774 
1 1 1 16 18 12 o 124.8793 51.16004 0.5965058      1.440911  1.209158       2.117123  0.6782348E-01  1.966693  154.4861 62.48669 130.7304 56.88243 23.75572       84.49969 
1 1 1 16 18 14 o 117.8291 50.39447 0.2120044      1.492648  4.033102       2.369056  -2.303454      1.922161  217.6693 68.74791 99.26437 47.59574 118.4050       83.61596 
1 1 1 16 18 16 o 100.5607 46.12429 -0.7641360     1.489180  -2.921720      2.247759  0.9237594      1.988102  103.8213 50.20327 143.6404 59.59255 -39.81915      77.92073 
1 1 1 16 18 18 o 118.2243 54.85520 -1.061458      2.195401  -2.356365      3.126036  0.1987971      3.083925  129.3243 61.64994 152.1793 68.43269 -22.85506      92.10726 
1 1 1 16 18 20 o 145.4294 62.39691 1.016474       2.301736  3.612179       3.480542  -1.001080      3.068540  194.2977 79.54592 136.1542 63.73004 58.14355       101.9268 
1 1 1 16 18 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 18 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 19 1  f 169.5476 55.88723 2.149119       1.554915  -0.8148065     2.125497  5.561568       2.280657  124.5684 56.34100 263.2186 62.21437 -138.6502      83.93411 
1 1 1 16 19 3  o 522.7576 24.09477 19.66739       1.777761  20.87597       2.508368  18.44763       2.519938  534.5798 33.32144 501.2124 35.76110 33.36740       48.87919 
1 1 1 16 19 5  o 223.0938 59.86971 4.001961       1.929466  5.954381       2.758594  2.131996       2.699713  267.0262 71.55456 184.0684 71.80089 82.95781       101.3678 
1 1 1 16 19 7  o 81.68661 40.50705 -3.937238      1.774529  -1.634651      2.490140  -6.313090      2.529447  125.2690 58.22562 92.78383 46.38375 32.48520       74.44242 
1 1 1 16 19 9  o 116.6709 50.02778 0.1379974      1.477967  -2.238161      2.118798  2.389900       2.062655  107.2296 51.01505 179.0600 64.15456 -71.83047      81.96550 
1 1 1 16 19 11 o 197.2400 52.40793 3.124289       1.487639  2.320823       2.178794  3.825976       2.036124  177.6471 65.59177 214.6242 62.95420 -36.97714      90.91486 
1 1 1 16 19 13 o 123.1151 51.42035 0.4881738      1.494589  -1.786315      2.237873  2.319547       2.008085  114.2487 53.77534 174.3659 63.19244 -60.11716      82.97633 
1 1 1 16 19 15 o 291.7436 39.33331 6.528816       1.582649  9.664403       2.426043  4.205787       2.088173  347.6141 50.81664 220.5317 63.48502 127.0824       81.31837 
1 1 1 16 19 17 o 172.2637 56.46308 2.494688       1.587998  4.860517       2.344052  0.4878518      2.158895  229.9579 67.57281 137.0762 59.62092 92.88170       90.11514 
1 1 1 16 19 19 o 199.1391 58.34575 3.563581       1.749788  3.985734       3.304619  3.399111       2.062672  198.8177 78.86097 191.3157 64.40177 7.502014       101.8167 
1 1 1 16 19 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 19 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 20 0  f 79.22657 54.69655 -1.406974      2.061190  -1.406974      2.061190  -1.406974      2.061190  79.22657 54.69655 79.22657 54.69655 0.000000       0.000000 
1 1 1 16 20 2  o 200.7470 52.49980 3.198054       1.508177  2.505820       2.121413  3.905465       2.144542  183.1224 65.12242 218.3784 64.75441 -35.25600      91.83716 
1 1 1 16 20 4  o 132.0201 55.74479 0.4267661      1.786619  0.2383809      2.495923  0.6247257      2.558562  147.7942 64.19599 154.8914 66.10482 -7.097275      92.14648 
1 1 1 16 20 6  o 144.8790 57.90210 1.082080       1.794711  1.673913       2.456577  0.4045970      2.628329  169.5874 67.75419 152.7404 66.11237 16.84702       94.66506 
1 1 1 16 20 8  o 142.1553 52.97556 1.325362       1.427304  1.243386       2.073427  1.399195       1.967743  153.6575 61.95007 154.6711 61.00957 -1.013519      86.94814 
1 1 1 16 20 10 o 187.2323 52.14334 2.826108       1.432585  0.8419786      2.037159  4.767279       2.014985  144.5161 60.17020 239.6219 59.65253 -95.10579      84.72826 
1 1 1 16 20 12 o 182.6275 53.93461 2.721201       1.490209  1.983715       2.232424  3.313947       2.001401  168.7176 65.43806 198.3979 63.25232 -29.68031      91.01096 
1 1 1 16 20 14 o 162.1616 54.94817 2.099322       1.501590  6.456578       2.291795  -1.178230      1.987669  275.1642 60.50285 111.6278 51.93099 163.5365       79.73345 
1 1 1 16 20 16 o 111.4713 49.20426 -0.1798749E-01 1.519592  0.8913305      2.218899  -0.8211538     2.085366  143.7299 61.45683 116.9398 53.97878 26.79010       81.79639 
1 1 1 16 20 18 o 121.9535 51.22079 0.6584329      1.495670  1.898666       2.152988  -0.4983880     2.079328  157.3680 63.23888 118.7683 54.48561 38.59977       83.47358 
1 1 1 16 20 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 20 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 21 1  o 114.2782 49.55141 0.2288812E-01  1.481737  -1.479982      2.075038  1.586511       2.116564  113.2057 52.79714 161.4141 63.39480 -48.20843      82.50114 
1 1 1 16 21 3  o 203.2297 51.92990 3.312614       1.498910  3.246965       2.137975  3.376074       2.102038  199.3360 65.52469 202.5830 64.84847 -3.246979      92.18898 
1 1 1 16 21 5  o 103.7442 48.36663 -1.281948      1.738819  -0.8662404     2.524922  -1.656944      2.398100  132.9684 60.63588 120.8974 56.50749 12.07098       82.88429 
1 1 1 16 21 7  o 220.9579 49.01690 3.893432       1.492643  2.654610       2.131634  5.085236       2.090791  183.6016 65.28053 247.0716 60.32753 -63.47002      88.88733 
1 1 1 16 21 9  o 88.48308 41.83802 -1.360249      1.383069  0.5843920      2.059713  -2.957073      1.866447  139.6746 59.45133 91.18202 44.46902 48.49261       74.24254 
1 1 1 16 21 11 o 145.2543 52.79893 1.526851       1.403253  2.044441       2.036470  1.058922       1.936314  166.4136 63.00882 144.4181 59.25125 21.99551       86.49174 
1 1 1 16 21 13 o 127.0412 51.50772 0.8282543      1.442406  0.7255149E-01  2.147096  1.449831       1.947256  131.4052 58.22213 150.6539 60.27807 -19.24867      83.80490 
1 1 1 16 21 15 o 153.5978 55.55608 1.898941       1.551096  1.679275       2.291438  2.084718       2.107278  156.8729 64.41901 162.6085 63.43383 -5.735596      90.40829 
1 1 1 16 21 17 f 148.8083 54.52342 1.808722       1.500780  1.527209       2.081223  2.113686       2.166171  148.7605 61.27249 160.7430 63.81929 -11.98241      88.47157 
1 1 1 16 21 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 21 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 22 0  o 66.82078 47.70334 -2.765364      2.024964  -2.765364      2.024964  -2.765364      2.024964  66.82078 47.70334 66.82078 47.70334 0.000000       0.000000 
1 1 1 16 22 2  o 99.31336 45.45184 -0.7308795     1.435429  -1.039214      1.989810  -0.3963105     2.072734  114.6905 52.86412 125.5146 56.29960 -10.82410      77.22863 
1 1 1 16 22 4  o 163.1746 59.24899 1.983313       1.766397  4.167346       2.587971  0.7845181E-01  2.416916  218.3217 72.10661 140.8085 62.10819 77.51318       95.16717 
1 1 1 16 22 6  f 139.1620 57.39735 0.8774973      1.829608  3.819527       2.590854  -2.049152      2.584073  209.4929 72.14780 120.9988 57.20512 88.49412       92.07459 
1 1 1 16 22 8  o 159.4979 53.58466 2.006513       1.427995  1.774604       2.029087  2.234087       2.010028  160.4381 62.34234 170.3420 62.98133 -9.903870      88.61837 
1 1 1 16 22 10 o 99.36700 45.14841 -0.5246643     1.383883  -1.512737      1.994308  0.3929714      1.921910  107.8065 50.74979 131.0829 56.63574 -23.27635      76.04701 
1 1 1 16 22 12 o 162.1286 53.47109 2.177264       1.423308  2.932007       2.194137  1.628941       1.870176  183.1105 66.09689 151.7819 59.59711 31.32852       88.99784 
1 1 1 16 22 14 o 140.9955 53.52457 1.493249       1.471841  1.500856       2.146770  1.486502       2.021838  150.2407 62.09029 148.2870 60.65862 1.953705       86.80249 
1 1 1 16 22 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 22 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 22 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 23 1  o 151.8273 53.28466 1.751797       1.416536  1.060744       1.976402  2.481770       2.031294  145.2284 59.75238 176.2753 63.60119 -31.04683      87.26659 
1 1 1 16 23 3  o 173.2563 55.24768 2.455760       1.526835  4.264113       2.018880  0.3941545E-01  2.333718  222.3504 61.89187 136.8126 60.65458 85.53789       86.65784 
1 1 1 16 23 5  o 113.9216 51.16236 -0.3496793     1.717535  1.318188       2.425208  -2.027912      2.432733  157.3601 65.59515 116.0055 55.03846 41.35464       85.62684 
1 1 1 16 23 7  f 159.0515 52.98853 2.037568       1.396784  1.988243       1.980672  2.086365       1.970072  162.6928 62.01280 164.7743 62.06519 -2.081497      87.73640 
1 1 1 16 23 9  o 151.6655 52.43089 1.832968       1.368745  3.262823       1.981525  0.5281397      1.892910  191.9158 63.08150 131.3459 56.47305 60.56995       84.66689 
1 1 1 16 23 11 f 106.2172 47.23015 -0.1004399     1.425545  -2.638456      2.190577  1.763939       1.877493  101.4185 49.16518 152.9319 59.81268 -51.51342      77.42591 
1 1 1 16 23 13 o 163.3033 54.61262 2.334125       1.483483  0.3897654      2.146484  4.112099       2.052589  131.0470 58.13066 207.2276 63.76904 -76.18063      86.28826 
1 1 1 16 23 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 23 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 23 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 24 0  o 61.93601 44.63055 -3.179822      1.956267  -3.179822      1.956267  -3.179822      1.956267  61.93601 44.63055 61.93601 44.63055 0.000000       0.000000 
1 1 1 16 24 2  o 132.6363 51.30554 1.139787       1.369516  0.6538217      1.932093  1.630504       1.941516  134.9032 57.50545 153.7311 60.61312 -18.82791      83.55135 
1 1 1 16 24 4  o 149.3556 56.50462 1.642037       1.636960  2.980961       2.262014  0.1698473      2.371915  184.9526 67.06336 136.9967 60.91916 47.95584       90.60154 
1 1 1 16 24 6  o 91.43956 42.54942 -0.8738823     1.335642  1.181658       1.978311  -2.595641      1.810580  144.0498 59.57496 90.50241 44.06192 53.54735       74.09878 
1 1 1 16 24 8  o 101.2634 45.39556 -0.2256928     1.345472  2.018809       1.977909  -2.158867      1.835616  159.2213 61.63871 94.52499 45.62442 64.69626       76.68715 
1 1 1 16 24 10 f 142.9603 51.74052 1.648759       1.345621  -1.590122      1.914072  4.813741       1.892110  101.4946 48.34335 230.3437 58.06830 -128.8492      75.55798 
1 1 1 16 24 12 o 107.7854 48.95847 -0.2787195     1.625779  -2.186392      2.890237  0.6042923      1.966368  119.4913 57.56844 129.4389 56.58883 -9.947525      80.72434 
1 1 1 16 24 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 24 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 24 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 25 1  o 106.4077 46.67983 0.5794546E-01  1.348247  0.3385521      1.927529  -0.2108566     1.886549  127.2283 55.81387 118.0809 53.27379 9.147316       77.15753 
1 1 1 16 25 3  o 94.52962 44.91817 -1.453643      1.632622  -1.347753      2.270575  -1.566991      2.349182  114.6728 54.03414 114.5851 54.28263 0.8766174E-01  76.59172 
1 1 1 16 25 5  o 100.3502 47.09194 -1.087697      1.693809  -0.8428845     2.417187  -1.323881      2.374206  122.6818 57.13882 116.8745 55.12727 5.807236       79.39685 
1 1 1 16 25 7  o 145.1854 51.66700 1.745482       1.335551  4.258090       1.978107  -0.3593979     1.810511  211.6375 62.04335 112.3050 51.26396 99.33244       80.48212 
1 1 1 16 25 9  o 74.33289 36.46054 -2.167352      1.309326  -1.385784      1.869625  -2.919596      1.834217  101.2676 48.10500 86.82160 42.69986 14.44603       64.32238 
1 1 1 16 25 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 25 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 25 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 25 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 26 0  o 81.23517 55.32407 -0.6189247     1.952082  -0.6189247     1.952082  -0.6189247     1.952082  81.23517 55.32407 81.23517 55.32407 0.000000       0.000000 
1 1 1 16 26 2  o 80.90469 39.04586 -1.633338      1.343495  -2.104194      1.932097  -1.192531      1.869430  96.36656 46.58546 103.3095 48.78606 -6.942986      67.45580 
1 1 1 16 26 4  o 108.5289 49.35946 -0.2621028     1.659105  -1.065847      2.356882  0.5274059      2.335917  116.7615 55.02856 134.3311 60.04652 -17.56956      81.44769 
1 1 1 16 26 6  o 113.2138 48.09319 0.5311895      1.343279  0.1941511      1.954871  0.8326837      1.848919  121.9506 54.69021 129.7608 55.80254 -7.810249      78.13413 
1 1 1 16 26 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 26 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 26 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 26 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 26 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 27 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 28 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 29 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 29 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 29 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 29 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 29 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 30 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 30 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 16 30 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 0  1  o 994.4960 21.75392 70.21753       3.058378  70.21753       3.058378  70.21753       3.058378  994.4960 21.75392 994.4960 21.75392 0.000000       0.000000 
1 1 1 17 0  3  o 889.6181 21.86560 56.21250       2.749108  56.21250       2.749108  56.21250       2.749108  889.6181 21.86560 889.6181 21.86560 0.000000       0.000000 
1 1 1 17 0  5  f 931.3900 22.23947 61.61822       2.927630  61.61822       2.927630  61.61822       2.927630  931.3900 22.23947 931.3900 22.23947 0.000000       0.000000 
1 1 1 17 0  7  o 1729.114 22.29389 212.1361       5.453390  212.1361       5.453390  212.1361       5.453390  1729.114 22.29389 1729.114 22.29389 0.000000       0.000000 
1 1 1 17 0  9  o 107.4630 64.88777 0.8322246      1.804635  0.8322246      1.804635  0.8322246      1.804635  107.4630 64.88777 107.4630 64.88777 0.000000       0.000000 
1 1 1 17 0  11 o 750.9948 25.08756 40.17221       2.659588  40.17221       2.659588  40.17221       2.659588  750.9948 25.08756 750.9948 25.08756 0.000000       0.000000 
1 1 1 17 0  13 o 1166.771 22.98215 96.74242       3.791539  96.74242       3.791539  96.74242       3.791539  1166.771 22.98215 1166.771 22.98215 0.000000       0.000000 
1 1 1 17 0  15 o 65.28193 46.75850 -3.125221      2.010600  -3.125221      2.010600  -3.125221      2.010600  65.28193 46.75850 65.28193 46.75850 0.000000       0.000000 
1 1 1 17 0  17 o 480.3805 41.76067 16.95050       2.787602  16.95050       2.787602  16.95050       2.787602  480.3805 41.76067 480.3805 41.76067 0.000000       0.000000 
1 1 1 17 0  19 o 849.8416 38.82339 52.33118       4.647035  52.33118       4.647035  52.33118       4.647035  849.8416 38.82339 849.8416 38.82339 0.000000       0.000000 
1 1 1 17 0  21 o 398.4913 57.64429 12.39095       3.053071  12.39095       3.053071  12.39095       3.053071  398.4913 57.64429 398.4913 57.64429 0.000000       0.000000 
1 1 1 17 0  23 o 195.5030 87.44507 4.320109       2.573905  4.320109       2.573905  4.320109       2.573905  195.5030 87.44507 195.5030 87.44507 0.000000       0.000000 
1 1 1 17 0  25 o 173.8546 101.8798 3.962585       4.207503  3.962585       4.207503  3.962585       4.207503  173.8546 101.8798 173.8546 101.8798 0.000000       0.000000 
1 1 1 17 0  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 0  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 1  0  o 734.5169 23.90368 38.38525       2.478803  38.38525       2.478803  38.38525       2.478803  734.5169 23.90368 734.5169 23.90368 0.000000       0.000000 
1 1 1 17 1  2  o 302.5182 30.51550 6.589530       1.288610  7.185324       1.800222  5.963487       1.845355  313.8515 41.55028 284.0650 47.58458 29.78647       63.17213 
1 1 1 17 1  4  f 676.3868 17.77185 32.48096       1.699696  30.60761       2.320302  34.65026       2.496862  655.4883 25.05881 697.4420 25.33898 -41.95367      35.63717 
1 1 1 17 1  6  o 654.0384 17.37540 30.36999       1.606842  31.74703       2.282965  29.01810       2.262014  667.6788 24.20086 638.1431 25.09603 29.53571       34.86392 
1 1 1 17 1  8  f 565.8126 19.74050 22.76223       1.578282  21.04815       2.197631  24.58800       2.268093  542.5937 28.72168 586.8252 27.38620 -44.23151      39.68550 
1 1 1 17 1  10 o 544.8845 20.69783 21.12806       1.593158  22.48661       2.281080  19.83425       2.226058  560.6899 28.84431 526.2544 30.01411 34.43555       41.62741 
1 1 1 17 1  12 o 1248.143 15.87528 110.5435       2.804177  110.0887       3.931165  111.0147       4.001173  1243.873 22.33189 1248.999 22.63630 -5.125977      31.79804 
1 1 1 17 1  14 o 501.3840 24.15181 17.96353       1.708680  18.05249       2.380772  17.86903       2.453757  500.2982 33.82436 497.3827 35.08461 2.915466       48.73415 
1 1 1 17 1  16 o 174.5277 58.47092 2.182013       1.700405  2.183289       2.561760  2.181009       2.273446  188.0377 70.78596 183.1694 67.10792 4.868301       97.54037 
1 1 1 17 1  18 o 186.3880 56.09575 2.667578       1.600219  1.762983       2.280610  3.544841       2.245892  172.5284 66.34682 212.9877 66.89230 -40.45929      94.21507 
1 1 1 17 1  20 f 216.5636 61.16546 3.756758       1.956660  3.490211       2.818504  4.004722       2.718477  212.4051 75.10934 222.8788 73.91339 -10.47375      105.3784 
1 1 1 17 1  22 o 390.4875 36.72153 11.33449       2.005487  11.27135       2.857231  11.39581       2.815602  378.6841 54.91528 381.6654 53.60301 -2.981293      76.73963 
1 1 1 17 1  24 o 571.3653 28.43223 23.91503       2.291807  24.00327       3.303104  23.83313       3.182471  561.4515 41.87251 560.8402 40.36644 0.6112671      58.16146 
1 1 1 17 1  26 o 276.4638 76.23146 7.323522       3.078762  7.918111       4.551875  6.822136       4.179920  264.0967 95.21857 250.4295 91.11153 13.66725       131.7873 
1 1 1 17 1  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 2  1  o 1281.810 14.80500 116.4702       2.685666  118.4169       3.825968  114.5792       3.770841  1291.323 20.93566 1270.217 20.97686 21.10620       29.63664 
1 1 1 17 2  3  o 675.8117 17.75935 32.42492       1.697056  33.64966       2.474479  31.33728       2.331864  687.2740 25.48513 663.3114 24.88494 23.96259       35.61955 
1 1 1 17 2  5  o 928.9130 15.32095 61.18152       2.014098  61.77673       2.865052  60.59998       2.831965  932.4692 21.71092 923.5530 21.66738 8.916199       30.67310 
1 1 1 17 2  7  o 1063.607 15.28233 80.21734       2.300331  77.88416       3.186467  82.75661       3.324223  1046.943 21.50633 1079.140 21.76669 -32.19690      30.59920 
1 1 1 17 2  9  o 202.4852 47.48636 3.079145       1.337052  3.482216       1.853464  2.641804       1.930649  214.8313 59.11275 191.9178 62.21384 22.91353       85.81888 
1 1 1 17 2  11 o 478.9984 23.06147 16.36366       1.558702  17.23030       2.216973  15.51650       2.191914  489.7667 32.16337 464.3456 33.58201 25.42114       46.49982 
1 1 1 17 2  13 o 524.8768 24.16917 19.67196       1.790489  20.99394       2.386544  17.96974       2.708096  540.6324 31.32648 498.0370 38.72639 42.59534       49.81045 
1 1 1 17 2  15 o 770.6373 20.50175 42.31022       2.233957  41.28148       3.341789  43.14136       3.003761  757.8192 31.22662 776.1193 27.39041 -18.30017      41.53717 
1 1 1 17 2  17 o 410.7962 29.58305 12.19824       1.708327  13.51109       2.418671  10.89130       2.413216  428.6992 40.34030 382.5521 45.46255 46.14709       60.77979 
1 1 1 17 2  19 o 457.6176 33.37884 15.28922       2.146827  14.78435       3.078491  15.76719       2.995358  441.6162 50.14431 458.0825 46.86438 -16.46628      68.63470 
1 1 1 17 2  21 o 388.3960 40.42892 11.28046       2.189732  9.303820       3.548331  12.49624       2.782830  329.9662 77.34156 403.6448 49.76826 -73.67856      91.97063 
1 1 1 17 2  23 f 608.9996 29.38177 27.11206       2.524827  26.51935       3.278685  27.97569       3.957682  594.9821 39.15585 604.2755 46.63993 -9.293335      60.89716 
1 1 1 17 2  25 o 222.8906 78.75462 4.673249       3.098228  1.846050       4.233577  7.933438       4.546222  187.7879 82.53812 269.3148 95.37673 -81.52690      126.1319 
1 1 1 17 2  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 2  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 3  0  o 932.3521 22.17940 61.74011       2.922766  61.74011       2.922766  61.74011       2.922766  932.3521 22.17940 932.3521 22.17940 0.000000       0.000000 
1 1 1 17 3  2  o 809.3848 16.18461 46.45704       1.853860  42.86044       2.571066  50.35194       2.675564  776.1439 23.43414 841.4780 22.48756 -65.33405      32.47844 
1 1 1 17 3  4  o 578.9580 18.91529 23.81661       1.547735  21.34211       2.172367  26.36756       2.205668  546.6128 28.17746 608.1758 25.68443 -61.56299      38.12688 
1 1 1 17 3  6  o 768.2145 16.62792 41.86236       1.807758  40.96806       2.549613  42.76647       2.563556  758.6246 23.77739 775.1859 23.39454 -16.56128      33.35669 
1 1 1 17 3  8  o 662.9240 18.46766 31.22106       1.730900  33.98832       2.457779  28.49802       2.438065  690.5400 25.19200 631.8137 27.33160 58.72632       37.17060 
1 1 1 17 3  10 o 623.4588 19.27729 27.63494       1.698836  27.04449       2.345550  28.28645       2.463846  615.3589 26.99944 629.1962 27.73808 -13.83728      38.70879 
1 1 1 17 3  12 o 537.9970 21.84619 20.62560       1.659859  22.48493       2.382121  18.87086       2.314145  560.0212 30.16793 512.4571 32.06978 47.56415       44.02925 
1 1 1 17 3  14 o 829.6342 18.13412 48.91963       2.129134  51.82975       3.037999  46.11052       2.984806  851.8353 25.22848 803.0931 26.29762 48.74219       36.44230 
1 1 1 17 3  16 o 654.5980 21.28796 30.58440       1.969475  32.79094       2.797811  28.41701       2.772874  675.2341 29.34828 627.7946 31.30872 47.43951       42.91337 
1 1 1 17 3  18 o 451.1940 29.53584 14.74011       1.875591  12.50473       2.848857  16.45031       2.491826  406.5102 50.61300 473.5582 37.48690 -67.04794      62.98368 
1 1 1 17 3  20 o 217.6114 60.57674 3.800136       1.933925  1.749232       2.804347  5.659972       2.670524  179.3737 72.14178 261.1543 70.58778 -81.78061      100.9310 
1 1 1 17 3  22 o 555.3770 28.93857 22.47274       2.266648  21.05063       3.139048  24.02204       3.276411  528.9318 42.28712 566.0641 41.18067 -37.13239      59.02583 
1 1 1 17 3  24 o 240.3068 66.64603 5.028817       2.345631  4.920773       3.164489  5.160568       3.494446  231.4526 79.73479 234.9286 83.57726 -3.476028      115.5110 
1 1 1 17 3  26 o 419.5048 57.13479 14.72758       3.303942  18.94706       4.791630  10.90316       4.561799  448.4420 78.35208 313.7715 94.77421 134.6705       122.9683 
1 1 1 17 3  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 4  1  f 1009.241 15.34672 72.21902       2.191949  70.83472       3.053491  73.69077       3.148457  998.5391 21.60786 1018.426 21.84482 -19.88696      30.72614 
1 1 1 17 4  3  o 1159.160 15.04759 95.26402       2.468485  93.47704       3.457197  97.12256       3.525740  1147.110 21.29606 1169.262 21.30682 -22.15198      30.12478 
1 1 1 17 4  5  o 588.1494 19.10860 24.58271       1.588398  26.16562       2.277721  23.08413       2.216211  605.6060 26.64125 568.5771 27.62509 37.02893       38.37840 
1 1 1 17 4  7  o 626.4866 18.95238 27.89079       1.678400  28.75507       2.401506  27.06552       2.346677  634.7952 26.79217 615.7909 26.99334 19.00427       38.03236 
1 1 1 17 4  9  o 430.8516 25.92178 13.27010       1.573255  14.65353       2.097519  11.49081       2.378763  451.4487 33.05973 397.1485 43.00874 54.30026       54.24664 
1 1 1 17 4  11 o 545.7062 23.28974 21.23601       1.794500  20.61484       2.709404  21.72144       2.395162  534.7825 36.00941 550.3254 30.87740 -15.54291      47.43513 
1 1 1 17 4  13 o 341.8586 32.44558 8.451564       1.550926  7.857300       2.149136  9.097364       2.240391  325.3127 48.13206 351.0911 46.21129 -25.77835      66.72465 
1 1 1 17 4  15 f 720.3376 19.71507 36.96434       2.007917  36.82181       2.876923  37.09972       2.803738  716.3619 28.43410 719.3539 27.59186 -2.991943      39.62081 
1 1 1 17 4  17 o 588.0321 23.19485 24.76923       1.926459  26.30879       2.754518  23.29515       2.695296  602.6080 32.41847 566.3751 33.78003 36.23291       46.81931 
1 1 1 17 4  19 o 103.0744 47.77320 -1.209290      1.658211  -0.4074108     2.609165  -1.752625      2.147736  143.9028 63.94735 114.2329 53.41990 29.66991       83.32436 
1 1 1 17 4  21 f 382.5674 38.21278 10.90300       2.041234  8.176428       2.856184  13.74945       2.918298  315.4816 66.09214 423.1270 49.68005 -107.6454      82.68179 
1 1 1 17 4  23 f 553.0507 29.50017 22.40406       2.300569  20.93956       3.237949  23.89704       3.269269  523.8318 44.08631 562.1798 41.38185 -38.34796      60.46536 
1 1 1 17 4  25 o 414.9643 59.39736 14.46395       3.388805  9.463703       4.339158  22.28266       5.425967  296.3339 92.96623 484.5537 82.05048 -188.2198      123.9960 
1 1 1 17 4  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 4  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 5  0  f 80.27771 54.10898 -0.7609647     1.773014  -0.7609647     1.773014  -0.7609647     1.773014  80.27771 54.10898 80.27771 54.10898 0.000000       0.000000 
1 1 1 17 5  2  o 441.5354 23.02585 13.89638       1.433830  14.01539       2.006782  13.77226       2.049372  441.8774 32.31406 437.8096 33.32662 4.067749       46.42049 
1 1 1 17 5  4  o 572.0615 19.56427 23.26310       1.581564  21.55681       2.174504  25.17948       2.304489  549.3057 28.06520 593.8886 27.49349 -44.58295      39.28801 
1 1 1 17 5  6  f 901.1876 15.99060 57.60439       2.039387  60.70216       2.874883  54.46645       2.893466  924.1230 21.98217 874.8039 23.39256 49.31915       32.10027 
1 1 1 17 5  8  o 426.6697 24.29017 12.99777       1.460644  14.29609       2.056880  11.67704       2.074557  445.9547 32.82098 401.9247 36.88297 44.03000       49.37176 
1 1 1 17 5  10 f 426.0040 26.10646 12.98320       1.566357  12.97511       2.173460  12.99194       2.259363  423.6561 36.60973 423.5637 38.09853 0.9243774E-01  52.83721 
1 1 1 17 5  12 o 474.1311 25.67435 16.07962       1.716305  13.02319       2.379094  19.39651       2.478394  423.0919 40.21655 518.8931 33.93614 -95.80115      52.62160 
1 1 1 17 5  14 o 237.3968 48.31841 4.258985       1.568062  6.095980       2.268370  2.577790       2.170046  281.8841 58.76901 191.4336 66.02500 90.45047       88.39173 
1 1 1 17 5  16 f 549.2451 23.66695 21.60484       1.835303  23.77631       2.630663  19.54568       2.561731  573.2321 32.56152 518.6166 35.11034 54.61554       47.88516 
1 1 1 17 5  18 o 517.0215 28.39301 19.32679       2.069519  20.67400       3.246941  18.40502       2.685755  527.1630 43.92076 500.1993 38.23023 26.96368       58.22872 
1 1 1 17 5  20 o 429.9631 34.96722 13.60966       2.109357  12.28743       3.025789  14.85978       2.942132  397.1831 55.33044 442.2369 47.76673 -45.05386      73.09663 
1 1 1 17 5  22 o 332.2901 42.08124 8.390345       1.934600  10.00798       2.676203  6.619766       2.799858  355.2855 55.00150 277.8592 70.96011 77.42624       89.78030 
1 1 1 17 5  24 o 135.1194 58.82526 0.2886006      2.105826  3.521450       2.962612  -3.012692      2.993809  202.7718 76.16770 123.1447 59.13862 79.62706       96.43078 
1 1 1 17 5  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 5  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 6  1  o 944.5161 15.69029 63.26598       2.097298  59.27674       2.941312  67.39218       2.991376  913.1384 22.76065 973.8467 21.70504 -60.70831      31.45085 
1 1 1 17 6  3  o 849.0394 16.12462 51.12993       1.937480  53.05477       2.778603  49.30843       2.702983  863.5648 22.75571 832.4539 22.96564 31.11096       32.33021 
1 1 1 17 6  5  f 821.2307 17.90896 47.86641       2.081399  48.47374       2.739280  47.03677       3.201576  825.2026 23.47999 811.8694 27.90641 13.33325       36.47023 
1 1 1 17 6  7  o 312.9621 35.54644 7.103399       1.546515  6.516528       2.268129  7.613308       2.114182  294.3200 56.50767 321.1095 47.99348 -26.78952      74.13832 
1 1 1 17 6  9  f 439.4923 24.88561 13.80096       1.541492  14.43638       2.127581  13.09882       2.236491  447.7311 33.82780 425.4921 37.52535 22.23898       50.52199 
1 1 1 17 6  11 o 932.6465 16.99472 61.75881       2.243112  62.12312       3.185567  61.40053       3.159078  933.4810 24.13381 928.0499 24.07332 5.431030       34.08762 
1 1 1 17 6  13 o 684.1133 20.01895 33.32794       1.936074  33.56650       2.760456  33.09698       2.716125  684.3218 28.56649 679.5907 28.30311 4.731079       40.21331 
1 1 1 17 6  15 o 769.9731 19.82297 42.25889       2.158255  41.42087       3.011988  43.14325       3.094138  759.5183 28.07004 775.0950 28.25480 -15.57672      39.82789 
1 1 1 17 6  17 o 979.7324 17.95327 68.40240       2.489263  73.16022       3.623427  64.14995       3.425597  1009.386 25.38559 945.0092 25.63787 64.37659       36.07947 
1 1 1 17 6  19 o 522.3007 26.83745 19.72206       1.977074  19.41890       3.092465  19.93162       2.571165  509.7466 43.27642 521.2075 35.06176 -11.46085      55.69718 
1 1 1 17 6  21 o 727.3091 24.78464 38.20947       2.547337  34.67447       3.596792  41.76692       3.608192  684.0456 37.29551 753.8302 33.90857 -69.78461      50.40582 
1 1 1 17 6  23 o 190.7710 61.73363 3.005852       1.901456  2.839846       2.623438  3.189574       2.759876  190.3711 71.63979 198.1150 73.69704 -7.743881      102.7790 
1 1 1 17 6  25 o 459.1684 52.12231 17.17163       3.327145  19.57409       4.632401  14.61176       4.781739  463.6086 73.01759 375.0805 91.01823 88.52817       116.6871 
1 1 1 17 6  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 6  29 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 7  0  o 2181.971 24.43659 337.9536       7.543738  337.9536       7.543738  337.9536       7.543738  2181.971 24.43659 2181.971 24.43659 0.000000       0.000000 
1 1 1 17 7  2  o 385.1436 26.31650 10.61268       1.425782  7.394357       1.957229  14.25160       2.081197  317.3409 44.82784 445.2755 33.26709 -127.9346      55.82324 
1 1 1 17 7  4  o 399.0856 26.52870 11.39505       1.489805  9.934751       2.079056  12.93628       2.135898  369.7249 40.39076 423.4815 35.97936 -53.75662      54.09185 
1 1 1 17 7  6  o 882.9466 16.71499 55.31813       2.088625  57.53555       3.006655  53.25016       2.903564  898.9116 23.65508 864.7422 23.74851 34.16943       33.51947 
1 1 1 17 7  8  o 655.9641 19.16574 30.59256       1.777295  29.91334       2.422829  31.38387       2.615119  647.2318 26.50716 662.6429 27.94914 -15.41113      38.51992 
1 1 1 17 7  10 o 446.1094 25.21149 14.23100       1.585216  12.33102       2.195714  16.29944       2.290989  412.3144 38.05869 475.5103 34.27418 -63.19589      51.21701 
1 1 1 17 7  12 o 1052.260 16.73288 78.64372       2.491802  77.66656       3.474369  79.67871       3.575696  1043.798 23.52012 1057.106 23.90135 -13.30750      33.53313 
1 1 1 17 7  14 o 225.8134 51.62223 3.902323       1.613651  5.790466       2.334625  2.175189       2.232867  272.8352 61.89097 182.3681 66.55502 90.46713       90.88489 
1 1 1 17 7  16 o 213.4774 53.80713 3.544218       1.624805  6.507336       2.326004  0.7204812      2.270639  288.6234 58.94062 152.9724 63.59422 135.6510       86.70767 
1 1 1 17 7  18 o 461.1249 29.63270 15.44194       1.923556  17.65149       3.139391  14.11383       2.433948  484.5083 46.34949 436.2595 39.86272 48.24884       61.13356 
1 1 1 17 7  20 o 640.2606 25.96019 29.64682       2.347377  29.98163       3.350953  29.32422       3.289292  636.5996 37.35900 629.7711 37.07020 6.828552       52.62979 
1 1 1 17 7  22 o 295.2575 48.89215 6.845951       1.971524  6.413147       2.840966  7.248006       2.738186  270.3902 72.68523 291.5850 67.66451 -21.19476      99.30573 
1 1 1 17 7  24 f 424.1333 40.99337 13.88134       2.429939  11.75174       3.358871  16.21972       3.519671  365.9411 67.33841 441.8850 57.65619 -75.94391      88.64930 
1 1 1 17 7  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 7  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 8  1  f 599.6910 21.09341 25.58875       1.787382  27.69686       2.388509  22.90579       2.694552  622.8240 27.16360 564.8336 33.86454 57.99036       43.41277 
1 1 1 17 8  3  o 650.2153 20.24361 30.06593       1.860525  31.64944       2.836501  28.87020       2.464832  665.1263 30.21304 635.8046 27.45800 29.32172       40.82609 
1 1 1 17 8  5  o 1280.245 15.63707 116.2673       2.833142  115.3558       3.972962  117.2103       4.041245  1273.656 22.04157 1283.795 22.24334 -10.13892      31.31448 
1 1 1 17 8  7  o 1073.170 16.02403 81.72060       2.433662  81.51253       3.425588  81.93264       3.458078  1070.334 22.61496 1073.048 22.77172 -2.713623      32.09342 
1 1 1 17 8  9  f 658.2751 19.95016 30.83340       1.856402  28.83404       2.521188  33.20105       2.743589  634.8003 28.13381 681.1598 28.52413 -46.35950      40.06416 
1 1 1 17 8  11 f 775.5139 18.44798 42.74825       2.024688  42.44102       2.904176  43.03878       2.824183  770.3942 26.67755 776.0837 25.74934 -5.689453      37.07722 
1 1 1 17 8  13 o 377.1276 31.02263 10.28141       1.641093  10.32997       2.335128  10.23403       2.306843  373.7396 45.05710 372.1027 44.70007 1.636932       63.46840 
1 1 1 17 8  15 o 264.1345 45.36177 5.263774       1.634577  6.336401       2.394523  4.327789       2.236810  284.1696 61.34168 233.8134 65.17061 50.35617       89.49866 
1 1 1 17 8  17 o 579.0594 24.44003 24.11609       1.998329  24.84900       3.159845  23.62759       2.579717  580.8688 38.65864 569.8258 32.11974 11.04303       50.26100 
1 1 1 17 8  19 o 136.3806 54.74121 0.8638061      1.611265  4.043860       2.689301  -0.9169719     2.012459  221.9435 73.51261 118.8144 54.16313 103.1290       91.31127 
1 1 1 17 8  21 o 655.8564 25.54299 31.17673       2.366297  31.56025       3.391705  30.81302       3.302957  651.5568 36.93415 644.2412 36.37495 7.315613       51.83887 
1 1 1 17 8  23 o 104.3923 48.69785 -1.208015      1.766946  -2.260844      2.507627  -0.1698179     2.490141  116.4392 55.42558 137.9335 61.80174 -21.49425      83.01476 
1 1 1 17 8  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 8  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 9  0  o 898.0562 23.48264 57.34507       2.979878  57.34507       2.979878  57.34507       2.979878  898.0562 23.48264 898.0562 23.48264 0.000000       0.000000 
1 1 1 17 9  2  o 331.9812 31.57927 7.947059       1.465815  9.531833       2.148250  6.566455       2.005098  361.2563 42.85316 297.2644 49.39488 63.99188       65.39303 
1 1 1 17 9  4  o 1093.802 15.88449 84.88351       2.458850  86.82402       3.451163  82.88299       3.504120  1104.869 22.07166 1079.280 22.94168 25.58875       31.83518 
1 1 1 17 9  6  f 781.3868 18.09633 43.36089       2.001135  43.47863       2.833044  43.24364       2.827030  780.6026 25.68000 778.4841 25.69546 2.118469       36.32794 
1 1 1 17 9  8  f 1384.063 15.98221 135.9632       3.130491  132.3838       4.349229  139.8113       4.509485  1363.679 22.53618 1401.336 22.73866 -37.65698      32.01446 
1 1 1 17 9  10 o 729.5811 19.24661 37.87599       1.985492  38.16893       2.730786  37.54745       2.891960  730.5952 26.45506 724.0761 28.27639 6.519104       38.72240 
1 1 1 17 9  12 o 905.7023 17.79863 58.32945       2.281350  56.11018       3.160112  60.74495       3.296864  885.7744 25.23495 921.6342 25.30077 -35.85974      35.73418 
1 1 1 17 9  14 o 441.6427 28.01901 14.06246       1.742203  11.98166       2.393146  16.40870       2.541209  402.5361 42.65767 473.5590 38.24314 -71.02289      57.29061 
1 1 1 17 9  16 o 293.4476 39.27124 6.414666       1.589986  8.366700       2.332440  4.720133       2.173160  330.3904 51.56794 242.6611 62.80116 87.72934       81.26031 
1 1 1 17 9  18 o 232.7648 51.57163 4.258137       1.654083  4.900155       2.701590  3.873147       2.092044  242.0289 72.89709 218.4720 63.73798 23.55698       96.83241 
1 1 1 17 9  20 o 431.1699 32.42794 13.68724       1.964235  12.83446       2.845824  14.46314       2.714521  406.4982 50.55811 435.9405 44.62853 -29.44229      67.43758 
1 1 1 17 9  22 o 261.6171 53.69867 5.573586       1.921482  3.957350       2.637925  7.400371       2.804489  212.7160 72.81588 290.7802 69.16338 -78.06412      100.4277 
1 1 1 17 9  24 o 320.3086 51.65724 8.427039       2.261997  5.090776       3.026114  12.65162       3.405235  227.5413 77.98682 378.3571 65.99397 -150.8158      102.1624 
1 1 1 17 9  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 9  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 10 1  o 1016.206 17.39115 73.31205       2.501093  71.61710       3.265310  75.71805       3.890393  1003.163 23.00028 1030.125 26.70855 -26.96161      35.24712 
1 1 1 17 10 3  o 319.1082 36.60508 7.403341       1.623207  7.961695       2.511149  7.002599       2.127405  325.5132 56.56264 306.5094 50.82346 19.00372       76.04181 
1 1 1 17 10 5  f 340.3551 32.70874 8.371272       1.556118  8.189659       2.214067  8.548559       2.187538  332.5461 48.47053 340.4278 46.62988 -7.881622      67.25874 
1 1 1 17 10 7  o 143.0119 54.52242 1.088829       1.531290  -0.2180594     2.130195  2.486285       2.202770  136.0441 59.19705 190.5907 66.47807 -54.54657      89.01474 
1 1 1 17 10 9  o 622.0176 21.34719 27.57783       1.876373  29.06169       2.634308  26.04970       2.673306  636.5270 29.32231 601.9377 31.49129 34.58929       43.02905 
1 1 1 17 10 11 f 694.9810 19.89130 34.41475       1.954380  36.56128       2.752919  32.23358       2.775034  714.1917 27.28717 669.8495 29.34447 44.34216       40.07103 
1 1 1 17 10 13 o 819.3408 20.09135 47.86472       2.329666  47.60650       3.545476  48.06091       3.090481  812.3938 30.89444 818.2245 26.72495 -5.830688      40.84959 
1 1 1 17 10 15 o 511.0270 24.86931 18.78746       1.793169  16.21298       2.540237  21.34453       2.531634  469.1773 38.59863 541.3739 33.20304 -72.19659      50.91460 
1 1 1 17 10 17 o 209.1285 56.73988 3.485756       1.721614  3.822078       2.824198  3.286871       2.171797  218.3808 75.32182 203.4484 65.98756 14.93239       100.1386 
1 1 1 17 10 19 o 225.4210 52.86803 4.058407       1.657212  0.9300066      2.637820  6.098344       2.130062  160.6442 67.77785 275.6351 56.50502 -114.9908      88.24202 
1 1 1 17 10 21 o 347.2342 38.56649 9.126893       1.863258  6.873692       2.599792  11.50659       2.671772  283.5671 66.02158 381.8546 50.69134 -98.28745      83.23737 
1 1 1 17 10 23 o 149.8430 62.19614 1.220103       2.167101  -1.198921      2.940615  4.095538       3.206047  135.1149 62.96064 209.0844 79.08247 -73.96951      101.0845 
1 1 1 17 10 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 10 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 11 0  o 663.2424 27.92196 31.43183       2.610236  31.43183       2.610236  31.43183       2.610236  663.2424 27.92196 663.2424 27.92196 0.000000       0.000000 
1 1 1 17 11 2  o 150.3366 54.04727 1.423434       1.465307  0.2947278      2.064339  2.569626       2.080268  142.4431 60.02128 191.1098 64.67567 -48.66670      88.23547 
1 1 1 17 11 4  o 586.2015 21.37959 24.48214       1.770672  22.78711       2.454685  26.32092       2.556643  563.4096 30.90424 605.9062 29.90812 -42.49658      43.00660 
1 1 1 17 11 6  o 440.2287 27.20510 13.89390       1.686637  13.45953       2.365929  14.34277       2.405082  430.2409 39.29024 444.4352 38.62166 -14.19427      55.09406 
1 1 1 17 11 8  f 522.2726 24.74011 19.50838       1.823401  23.79033       2.575231  15.20343       2.582141  574.9619 31.77234 456.7106 40.36533 118.2513       51.36965 
1 1 1 17 11 10 f 652.5558 20.85745 30.36998       1.923714  30.32050       2.755428  30.41704       2.686950  649.2907 30.06844 650.6044 29.25737 -1.313660      41.95361 
1 1 1 17 11 12 o 396.3627 29.85809 11.36438       1.662531  13.51166       2.369174  9.281148       2.333578  429.0623 39.45884 351.7301 48.14262 77.33218       62.24718 
1 1 1 17 11 14 o 341.0799 33.69356 8.523138       1.605161  9.416755       2.313980  7.694315       2.228512  353.0374 47.52039 316.8683 51.45924 36.16910       70.04456 
1 1 1 17 11 16 o 558.3251 24.93988 22.47679       1.965639  21.72768       2.997192  23.04215       2.603801  541.4720 39.38200 561.4776 32.91276 -20.00562      51.32438 
1 1 1 17 11 18 o 183.5345 56.41843 2.671211       1.607182  0.9714932      2.598268  3.724586       2.045441  160.6965 67.50274 213.0400 63.25786 -52.34352      92.51041 
1 1 1 17 11 20 o 473.6908 31.60193 16.55131       2.106383  16.79433       2.999465  16.31484       2.958704  466.8395 45.99691 460.0251 46.06552 6.814423       65.09798 
1 1 1 17 11 22 o 143.2459 56.97208 1.259120       1.729190  -0.7306242E-01 2.357181  2.811355       2.544427  134.9061 60.31028 184.8928 70.33116 -49.98663      92.64881 
1 1 1 17 11 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 11 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 12 1  o 506.3455 24.20082 18.31640       1.729170  15.69195       2.425544  21.02866       2.465784  465.4940 37.12673 540.6577 32.37477 -75.16370      49.25972 
1 1 1 17 12 3  o 542.4810 23.03497 21.00277       1.764422  18.78752       2.455429  23.36785       2.537114  510.3607 34.19349 570.1835 31.56484 -59.82278      46.53529 
1 1 1 17 12 5  o 300.5749 40.84208 6.647379       1.692418  6.420448       2.197264  6.978386       2.653710  290.9312 55.38949 300.6384 64.31681 -9.707245      84.88020 
1 1 1 17 12 7  o 663.7399 22.78293 31.44736       2.136894  37.43481       3.325531  27.23648       2.788860  721.0082 32.67618 614.9550 32.15697 106.0533       45.84544 
1 1 1 17 12 9  o 628.5890 21.37371 28.20141       1.898603  26.44994       2.702502  29.90831       2.667893  605.6259 31.64104 644.9437 29.30645 -39.31781      43.12799 
1 1 1 17 12 11 o 150.5556 55.22877 1.431600       1.540572  1.711650       2.166463  1.145134       2.191142  169.9636 64.83869 159.1284 63.84837 10.83521       90.99819 
1 1 1 17 12 13 o 593.9040 23.17209 25.30796       1.943870  22.60076       2.644089  28.49215       2.867585  556.8881 33.70750 626.1235 32.47306 -69.23535      46.80486 
1 1 1 17 12 15 f 190.4628 54.95802 2.857419       1.563174  4.498604       2.231592  1.276394       2.190309  234.7433 64.96870 158.9884 63.82108 75.75485       91.07174 
1 1 1 17 12 17 o 240.2340 50.07981 4.542196       1.647359  2.475005       2.408888  6.358325       2.257873  184.8629 68.83524 280.6903 58.72923 -95.82735      90.48432 
1 1 1 17 12 19 o 242.6267 49.23550 4.671521       1.632737  4.214151       2.595496  4.971039       2.100382  221.0799 72.16856 244.1568 60.97363 -23.07698      94.47795 
1 1 1 17 12 21 o 164.7996 60.00943 2.110078       1.813811  -0.3780075     2.495286  4.897566       2.641157  134.8910 61.02421 230.7875 72.54824 -95.89650      94.80085 
1 1 1 17 12 23 o 208.8182 68.91805 4.082715       2.364291  4.544477       2.805985  2.952439       4.390043  215.5961 75.04099 193.5849 84.59486 22.01114       113.0816 
1 1 1 17 12 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 12 27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 13 0  o 577.3721 31.89929 23.96783       2.588176  23.96783       2.588176  23.96783       2.588176  577.3721 31.89929 577.3721 31.89929 0.000000       0.000000 
1 1 1 17 13 2  o 450.7539 27.09384 14.57581       1.720364  17.95801       2.466753  11.37279       2.400524  498.2770 35.20792 393.3933 43.86340 104.8837       56.24585 
1 1 1 17 13 4  o 583.7600 22.64658 24.32996       1.867377  23.48684       2.651544  25.15963       2.630324  570.6993 32.97042 591.1948 31.55257 -20.49554      45.63566 
1 1 1 17 13 6  o 266.9810 45.96318 5.343454       1.673997  3.657999       2.311140  7.203597       2.427957  218.6182 67.73447 306.6749 58.06822 -88.05675      89.21814 
1 1 1 17 13 8  o 298.6492 40.35507 6.596021       1.662003  7.503863       2.385346  5.739458       2.316998  313.2555 55.85500 271.0938 61.77438 42.16174       83.28178 
1 1 1 17 13 10 o 153.9376 56.04604 1.534395       1.582052  0.9529822      2.231558  2.121892       2.243207  156.2484 63.79876 179.7909 66.52351 -23.54248      92.17191 
1 1 1 17 13 12 o 183.6988 56.77206 2.599144       1.624775  2.981683       2.306640  2.222427       2.289020  198.4754 68.08569 181.2348 67.17338 17.24065       95.64478 
1 1 1 17 13 14 o 135.6934 53.95004 0.8948104      1.550101  0.8024638      2.266335  0.9759865      2.124848  152.0668 63.40112 151.8006 62.15055 0.2662201      88.78284 
1 1 1 17 13 16 o 389.9649 31.60402 11.16878       1.729231  13.15098       2.636292  9.671921       2.290921  415.5641 45.57331 355.1620 46.71005 60.40207       65.25915 
1 1 1 17 13 18 o 146.2103 55.29178 1.395584       1.567063  0.9623103      2.378132  1.728097       2.083337  154.2073 64.66573 162.8397 63.19951 -8.632416      90.42033 
1 1 1 17 13 20 o 491.3463 30.12786 17.86266       2.084888  21.04082       2.986635  14.84189       2.911743  524.3674 40.56150 433.2385 48.31157 91.12891       63.08124 
1 1 1 17 13 22 o 118.7102 53.42958 -0.2473768     1.884637  -0.6608780     2.374809  0.4560694      3.097461  126.2421 58.02983 153.2057 68.76379 -26.96358      89.97733 
1 1 1 17 13 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 13 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 14 1  o 539.2921 24.42414 20.81330       1.859236  19.71020       2.634400  21.90799       2.624341  521.3699 35.92352 550.5200 33.84794 -29.15009      49.35769 
1 1 1 17 14 3  o 334.6658 36.01183 8.177207       1.678788  6.382949       2.430054  9.815392       2.321962  286.8422 61.69532 363.6685 46.15400 -76.82632      77.04871 
1 1 1 17 14 5  o 158.8317 56.55988 1.675670       1.600728  3.733470       2.242351  -0.4626820     2.285817  219.6422 66.46913 136.1509 60.21141 83.49132       89.68589 
1 1 1 17 14 7  o 391.8850 31.01196 11.12758       1.705906  9.919027       2.394778  12.37262       2.430654  364.0760 47.61887 409.2840 42.58619 -45.20792      63.88380 
1 1 1 17 14 9  o 355.0422 37.15077 9.273763       1.839069  9.597251       2.459804  8.863753       2.769287  355.8618 50.23858 337.0364 60.27187 18.82538       78.46408 
1 1 1 17 14 11 o 120.3988 52.25703 -0.4617348E-01 1.651310  -2.414953      2.395190  2.099679       2.279699  115.7050 54.81270 178.1050 66.83312 -62.40000      86.43551 
1 1 1 17 14 13 o 330.0190 34.95686 8.053535       1.607849  9.217831       2.290110  6.921743       2.257915  347.1592 47.88729 296.0762 55.93641 51.08295       73.63474 
1 1 1 17 14 15 o 150.5105 55.43099 1.529575       1.554366  1.313117       2.455616  1.674284       2.007797  163.3342 66.83597 161.9818 62.26222 1.352402       91.34348 
1 1 1 17 14 17 o 186.7764 56.07231 2.827385       1.600354  0.9284471      2.362982  4.436434       2.175152  153.2766 64.37914 229.0099 64.42379 -75.73331      91.07742 
1 1 1 17 14 19 o 273.3333 42.29607 5.817931       1.583319  7.181138       2.508800  4.915564       2.041159  289.4548 63.03424 240.1072 60.19069 49.34760       87.15638 
1 1 1 17 14 21 o 85.70339 42.22078 -3.259891      1.818334  -4.889951      2.311136  -0.6114855     2.945886  90.80240 45.22665 139.3006 64.24889 -48.49825      78.57079 
1 1 1 17 14 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 14 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 15 0  o 175.4778 82.56332 3.358000       2.306656  3.358000       2.306656  3.358000       2.306656  175.4778 82.56332 175.4778 82.56332 0.000000       0.000000 
1 1 1 17 15 2  o 335.3577 35.84089 8.228455       1.674669  9.170404       2.358011  7.269817       2.378806  349.5400 49.01325 307.5685 56.74079 41.97153       74.97878 
1 1 1 17 15 4  f 135.9158 54.50436 0.7701808      1.595811  0.4106353      2.238316  1.141865       2.275785  147.4582 62.33571 161.1923 64.93275 -13.73412      90.01112 
1 1 1 17 15 6  o 247.2936 48.37609 4.672542       1.632359  2.127693       2.317711  7.177352       2.299407  180.9370 67.49120 305.0850 55.29220 -124.1480      87.24844 
1 1 1 17 15 8  o 124.1530 52.30104 0.2934014      1.566803  2.584184       2.240723  -1.898198      2.191679  188.9200 66.95415 114.4831 53.67428 74.43688       85.81251 
1 1 1 17 15 10 o 113.0352 49.76672 -0.2403344     1.545184  -1.162544      2.171175  0.7061301      2.199541  121.4517 55.70156 149.2731 62.36487 -27.82138      83.61843 
1 1 1 17 15 12 f 119.6435 50.53357 0.2837597      1.468892  0.5481252E-01  2.144732  0.4860283      2.015903  136.3877 59.37195 139.8423 59.13894 -3.454620      83.80001 
1 1 1 17 15 14 o 257.5974 42.76071 5.086890       1.504222  5.703314       2.188259  4.534679       2.071151  264.3048 59.89280 234.4658 61.62243 29.83902       85.93295 
1 1 1 17 15 16 o 143.9975 55.22573 1.305334       1.577201  -2.366014      2.264194  4.765992       2.198265  109.7542 52.36156 237.2437 64.00776 -127.4895      82.69659 
1 1 1 17 15 18 o 114.0653 49.93492 0.2438184E-02  1.535673  -0.7753059     2.312004  0.6164669      2.054303  126.0497 57.68646 138.9557 59.26652 -12.90603      82.70580 
1 1 1 17 15 20 o 140.0365 57.95857 1.057923       1.874338  3.450191       2.388218  -2.778913      3.024515  194.2875 69.09596 122.5790 59.01409 71.70853       90.86756 
1 1 1 17 15 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 15 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 16 1  o 199.5038 54.14863 3.090229       1.567612  1.660305       2.194812  4.579303       2.239746  168.8933 65.05095 239.8502 64.56464 -70.95694      91.65271 
1 1 1 17 16 3  o 83.54827 40.78230 -2.781495      1.579777  -4.831908      2.249019  -0.7844513     2.219557  93.09005 46.06210 128.6663 57.94058 -35.57629      74.01910 
1 1 1 17 16 5  f 357.9206 34.52452 9.392791       1.727099  9.323429       2.452593  9.461021       2.432506  349.6173 51.07673 352.6724 50.14927 -3.055115      71.58059 
1 1 1 17 16 7  o 162.7370 55.75242 1.918730       1.546532  1.209508       2.264376  2.538801       2.117279  160.0743 64.66766 185.6893 65.14632 -25.61504      91.79297 
1 1 1 17 16 9  o 180.8707 55.02451 2.553381       1.533880  6.019475       2.231331  -0.5520352     2.112048  274.2096 59.23293 127.0278 56.91602 147.1818       82.14604 
1 1 1 17 16 11 o 137.1156 53.42914 1.041191       1.493643  -1.230731      2.178795  3.055589       2.051598  119.9765 55.30672 195.8628 64.17677 -75.88633      84.72007 
1 1 1 17 16 13 o 162.8781 55.71981 2.002485       1.544591  1.196088       2.089567  2.973879       2.293398  153.1951 62.03739 193.6279 67.81142 -40.43286      91.90771 
1 1 1 17 16 15 o 222.2419 49.92821 3.958962       1.531905  2.655431       2.279591  5.032384       2.068623  184.4279 67.25683 245.6317 60.02571 -61.20374      90.14748 
1 1 1 17 16 17 o 167.1974 56.02612 2.251991       1.561174  2.457069       2.348057  2.089503       2.090063  177.7943 67.57883 167.5536 63.74123 10.24077       92.89694 
1 1 1 17 16 19 o 133.9359 54.39744 1.021119       1.612031  0.7081060      2.338039  1.304756       2.225626  143.0078 62.12456 150.5018 62.79504 -7.493958      88.33276 
1 1 1 17 16 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 16 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 17 0  o 135.8782 76.85178 1.936538       2.270355  1.936538       2.270355  1.936538       2.270355  135.8782 76.85178 135.8782 76.85178 0.000000       0.000000 
1 1 1 17 17 2  o 127.0733 52.91729 0.4394101      1.576050  -0.8720195     2.206117  1.806375       2.252344  126.3814 57.25658 171.4953 65.93831 -45.11396      87.32798 
1 1 1 17 17 4  o 171.8740 56.40031 2.227826       1.584276  4.683014       2.249041  -0.1904376     2.232065  240.1318 64.72369 136.1085 59.87370 104.0233       88.17037 
1 1 1 17 17 6  o 282.0886 41.73954 6.009677       1.616070  8.167327       2.324233  3.990202       2.248580  324.3855 52.41547 221.3161 66.47066 103.0694       84.65063 
1 1 1 17 17 8  o 209.9293 51.54642 3.488736       1.519992  1.140357       2.169448  5.753074       2.130275  155.1672 63.07399 267.7686 57.90384 -112.6014      85.62232 
1 1 1 17 17 10 o 151.0591 54.83413 1.579295       1.512817  3.524461       2.256269  -0.9399399E-02 2.039073  207.4203 67.25727 131.6749 57.59457 75.74545       88.54759 
1 1 1 17 17 12 o 111.9343 48.76007 -0.2732852E-01 1.448647  0.6583005      2.118907  -0.6290561     1.985031  143.6959 60.69298 120.4099 54.45505 23.28604       81.54134 
1 1 1 17 17 14 o 295.1984 39.97904 6.659410       1.627301  8.122389       2.529353  5.626175       2.125641  313.9291 59.10020 260.0436 59.10469 53.88550       83.58349 
1 1 1 17 17 16 o 117.3468 50.85969 0.1619871      1.559623  -0.4546510     2.345704  0.6505771      2.087999  130.2666 59.02613 139.7381 59.67970 -9.471420      83.93897 
1 1 1 17 17 18 o 119.9670 51.98010 0.3002591      1.628129  2.636960       2.283721  -2.115007      2.321795  176.0044 66.70503 110.1113 52.66606 65.89312       84.98985 
1 1 1 17 17 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 17 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 17 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 18 1  o 152.7492 55.75851 1.574783       1.567329  -0.3632587     2.149664  3.774257       2.290069  130.5974 58.03880 215.3770 67.53341 -84.77954      89.04641 
1 1 1 17 18 3  o 272.9539 42.92412 5.667632       1.603420  4.902476       2.273643  6.424679       2.261562  244.0788 64.76114 283.3717 58.33882 -39.29292      87.16320 
1 1 1 17 18 5  o 302.9038 37.87233 6.867607       1.588099  6.392462       2.201734  7.382895       2.292858  282.8629 56.97304 305.6061 55.03851 -22.74319      79.21594 
1 1 1 17 18 7  o 183.5081 53.51033 2.674754       1.474846  4.350204       2.166797  1.228474       2.013162  229.0073 64.25629 152.7967 61.23719 76.21062       88.76297 
1 1 1 17 18 9  o 208.7097 51.81704 3.490481       1.523418  6.425852       2.258708  1.040817       2.063393  280.9977 58.69462 149.5827 61.24416 131.4149       84.82868 
1 1 1 17 18 11 o 106.6184 48.69471 -0.7584234     1.636470  -1.499588      2.095589  0.3999738      2.619857  112.9862 52.81418 150.5925 65.58671 -37.60638      84.20780 
1 1 1 17 18 13 o 102.6843 48.12475 -1.360897      1.759143  -1.717025      2.576757  -1.050026      2.407468  123.8693 58.11440 126.1693 58.15253 -2.300003      82.21314 
1 1 1 17 18 15 o 155.2773 61.14587 1.637775       1.973593  2.509260       3.244001  1.125666       2.486749  184.9187 76.36451 154.4866 65.52319 30.43214       100.6222 
1 1 1 17 18 17 o 104.6145 47.56205 -0.4561362     1.538750  1.739584       2.306803  -2.216343      2.065398  158.2632 64.77214 101.5901 48.87306 56.67308       81.14189 
1 1 1 17 18 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 18 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 18 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 19 0  o 165.6091 80.53613 3.137143       2.214835  3.137143       2.214835  3.137143       2.214835  165.6091 80.53613 165.6091 80.53613 0.000000       0.000000 
1 1 1 17 19 2  o 132.5405 53.16844 0.8366753      1.519068  0.4417453      2.099201  1.270832       2.200985  140.4248 59.90243 157.3537 63.68855 -16.92889      87.43301 
1 1 1 17 19 4  o 92.71059 43.54026 -1.306108      1.452750  -1.913555      2.074730  -0.7217901     2.034849  108.6981 51.35015 121.1813 54.93595 -12.48316      75.19839 
1 1 1 17 19 6  o 167.4731 54.80600 2.180393       1.496419  0.7144678      2.145824  3.568213       2.087876  145.5015 61.24562 207.4379 64.39772 -61.93642      88.87122 
1 1 1 17 19 8  o 227.3147 48.31583 4.099111       1.506365  3.875052       2.173755  4.306115       2.089392  214.1655 65.57260 226.1788 62.96561 -12.01334      90.90894 
1 1 1 17 19 10 o 112.5756 51.32579 -0.7270364     1.807892  -3.107339      2.600048  1.501041       2.515535  112.9801 54.47422 164.3954 67.50047 -51.41537      86.73958 
1 1 1 17 19 12 o 146.6718 58.07979 1.318591       1.789637  0.1366716      2.479096  2.604794       2.586154  141.6141 62.66268 183.0889 70.58787 -41.47479      94.38886 
1 1 1 17 19 14 o 170.0812 64.17960 2.307363       2.108719  1.927062       3.296724  2.570701       2.743320  175.6991 75.01262 180.1438 71.72269 -4.444717      103.7836 
1 1 1 17 19 16 o 156.6379 64.06840 1.730165       2.255258  2.324349       3.362355  1.244232       3.040682  176.1553 75.49424 159.2966 69.98477 16.85867       102.9429 
1 1 1 17 19 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 19 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 19 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 20 1  f 102.9097 46.81751 -0.6626724     1.493986  -1.473535      2.091454  0.1821865      2.134847  113.3781 52.91995 136.2344 59.27096 -22.85626      79.45796 
1 1 1 17 20 3  o 121.3872 51.06059 0.3988490      1.489876  0.1038348      2.122688  0.6853016      2.091660  134.5423 58.80811 143.1030 60.36463 -8.560669      84.27503 
1 1 1 17 20 5  o 179.9351 54.10179 2.614324       1.489002  3.247312       2.127856  2.006955       2.084350  197.6749 65.38713 168.2006 63.73156 29.47433       91.30820 
1 1 1 17 20 7  o 273.6765 40.71790 5.757475       1.529077  4.938756       2.200756  6.521562       2.126061  240.3162 63.69236 282.9686 55.07285 -42.65237      84.20057 
1 1 1 17 20 9  o 127.3417 54.15746 0.4386582      1.706796  1.428235       2.501054  -0.4239045     2.335037  161.6685 66.93480 131.2428 59.23515 30.42569       89.38161 
1 1 1 17 20 11 o 171.1517 59.57779 2.390314       1.768736  -1.040105      2.476031  5.964839       2.527504  126.5254 58.54967 257.1746 68.30170 -130.6492      89.96214 
1 1 1 17 20 13 o 196.4983 66.13187 3.511332       2.174988  5.409544       3.247502  1.967297       2.928907  229.3935 80.66579 170.3204 71.61480 59.07307       107.8687 
1 1 1 17 20 15 o 211.2845 68.00069 4.332742       2.309132  1.136012       3.305509  7.379640       3.227114  159.9457 71.46765 262.8264 79.78226 -102.8807      107.1113 
1 1 1 17 20 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 20 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 20 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 21 0  o 127.0615 72.52350 1.772616       2.047198  1.772616       2.047198  1.772616       2.047198  127.0615 72.52350 127.0615 72.52350 0.000000       0.000000 
1 1 1 17 21 2  o 111.7997 48.72110 0.1406572E-01  1.447574  -0.3364836     2.065012  0.3527619      2.029800  125.5337 56.26016 134.8553 58.23444 -9.321609      80.97195 
1 1 1 17 21 4  f 110.2920 48.44651 -0.7786640E-01 1.456499  0.5776507E-01  2.105462  -0.2023384     2.016986  132.0151 58.10911 125.8325 56.05199 6.182556       80.73719 
1 1 1 17 21 6  o 122.3919 50.81887 0.5680501      1.447463  -0.6296376     2.017038  1.839701       2.078385  119.6063 54.40782 162.4365 63.10176 -42.83025      83.31892 
1 1 1 17 21 8  o 123.8794 53.65924 0.2528352      1.733968  0.8663087E-02  2.431670  0.5054314      2.473262  137.8759 61.47256 145.4814 63.53650 -7.605530      88.40680 
1 1 1 17 21 10 o 141.5172 56.52524 1.248079       1.709357  0.1289005      2.447341  2.314108       2.388523  138.2562 61.65438 172.0875 67.41670 -33.83124      91.35794 
1 1 1 17 21 12 o 136.6237 59.35282 0.6313122      2.134183  2.573967       3.052587  -1.226188      2.984932  177.8560 73.81989 132.7708 62.37204 45.08513       96.64185 
1 1 1 17 21 14 o 85.72617 42.72038 -4.337301      2.073240  -4.240422      3.036753  -4.421877      2.837397  110.8856 54.61414 105.3730 52.06629 5.512634       75.45597 
1 1 1 17 21 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 21 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 21 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 22 1  o 169.1552 53.47833 2.340538       1.433224  4.256901       2.060537  0.5444447      1.994830  220.7628 62.90892 135.7402 58.16103 85.02258       85.67519 
1 1 1 17 22 3  o 139.1465 53.15096 1.296663       1.457023  3.235600       2.064849  -0.6261809     2.056262  193.3788 64.42606 120.0683 54.74038 73.31043       84.54128 
1 1 1 17 22 5  o 154.5240 53.59772 1.884612       1.430858  3.539497       2.124815  0.5114974      1.935488  199.9440 65.29963 133.0020 57.14374 66.94203       86.77240 
1 1 1 17 22 7  o 107.4452 49.52107 -0.7993158     1.745664  -2.177350      2.414958  0.7087039      2.526289  112.8144 53.89170 147.4333 64.30470 -34.61893      83.90120 
1 1 1 17 22 9  o 107.8538 49.35373 -0.5731599     1.691695  0.2707132      2.432492  -1.363628      2.354263  137.8775 61.47747 117.5246 55.26701 20.35286       82.66754 
1 1 1 17 22 11 o 106.6077 50.66597 -1.593597      2.078934  -1.021982      2.984809  -2.132171      2.897258  132.8197 62.38736 121.9484 58.46228 10.87128       85.49866 
1 1 1 17 22 13 o 117.0730 50.28600 0.4603789      1.498033  2.548519       2.275192  -1.137632      1.990343  168.6037 65.87220 108.0080 50.79940 60.59573       83.18489 
1 1 1 17 22 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 22 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 22 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 23 0  o 68.84476 48.76273 -2.162252      1.969662  -2.162252      1.969662  -2.162252      1.969662  68.84476 48.76273 68.84476 48.76273 0.000000       0.000000 
1 1 1 17 23 2  f 75.30864 37.04093 -2.525746      1.381257  -3.981435      1.956157  -1.078258      1.950638  85.36439 42.36513 110.0525 51.28102 -24.68813      66.51727 
1 1 1 17 23 4  f 154.1595 53.09433 1.939351       1.403121  5.235479       2.093112  -0.7506356     1.890887  241.8562 61.13250 111.8153 51.53687 130.0408       79.95769 
1 1 1 17 23 6  o 101.1667 45.77118 -0.3578725     1.404123  -2.219236      2.070701  1.226500       1.910427  101.3215 48.79262 142.3115 58.66933 -40.99001      76.30734 
1 1 1 17 23 8  o 85.05397 41.59976 -2.544372      1.667731  -5.868526      2.371376  0.7087010      2.345885  86.36278 43.41679 139.9417 61.47666 -53.57896      75.26219 
1 1 1 17 23 10 o 151.6427 61.76574 1.746148       2.085372  2.893212       3.042142  0.7293367      2.864215  176.6573 73.53883 146.6981 65.96041 29.95917       98.78631 
1 1 1 17 23 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 23 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 23 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 23 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 24 1  o 95.30473 44.07392 -0.6996354     1.399712  -0.3066073     1.964134  -1.105201      1.995217  117.9336 53.66356 109.2153 51.20695 8.718330       74.17500 
1 1 1 17 24 3  o 97.37189 44.67084 -0.5409555     1.397779  -2.407491      1.944617  1.454291       2.010547  95.07597 46.14486 146.3208 60.24078 -51.24482      75.88346 
1 1 1 17 24 5  o 132.7851 52.35252 1.235450       1.448331  4.109323       2.348005  -0.5295881     1.840103  202.0751 68.70832 110.9558 51.03155 91.11926       85.58652 
1 1 1 17 24 7  f 89.81339 43.37534 -1.918173      1.664967  -1.673372      2.295458  -2.189945      2.418604  110.3021 52.65028 109.0016 52.55177 1.300499       74.38912 
1 1 1 17 24 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 24 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 24 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 24 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 25 0  o 113.9421 68.46996 1.477221       1.989946  1.477221       1.989946  1.477221       1.989946  113.9421 68.46996 113.9421 68.46996 0.000000       0.000000 
1 1 1 17 25 2  o 94.76722 43.63722 -0.5396587     1.351031  0.5086116      1.942911  -1.521077      1.879937  126.8046 55.81808 100.0050 47.71086 26.79961       73.43013 
1 1 1 17 25 4  o 78.89910 38.36937 -1.885461      1.362400  -2.152464      1.970821  -1.641086      1.885461  96.76192 46.84248 98.87560 47.33723 -2.113670      66.59603 
1 1 1 17 25 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 25 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 25 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 25 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 25 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 26 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 27 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 27 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 27 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 27 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 27 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 27 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 28 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 28 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 28 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 17 28 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 0  0  o 1917.529 32.81683 261.0913       8.899621  261.0913       8.899621  261.0913       8.899621  1917.529 32.81683 1917.529 32.81683 0.000000       0.000000 
1 1 1 18 0  2  o 1916.178 23.12697 260.6102       6.269485  260.6102       6.269485  260.6102       6.269485  1916.178 23.12697 1916.178 23.12697 0.000000       0.000000 
1 1 1 18 0  4  o 201.0607 74.90437 3.913677       1.982654  3.913677       1.982654  3.913677       1.982654  201.0607 74.90437 201.0607 74.90437 0.000000       0.000000 
1 1 1 18 0  6  o 676.8164 27.86020 32.71152       2.658245  32.71152       2.658245  32.71152       2.658245  676.8164 27.86020 676.8164 27.86020 0.000000       0.000000 
1 1 1 18 0  8  o 136.6518 74.39777 1.935970       2.035311  1.935970       2.035311  1.935970       2.035311  136.6518 74.39777 136.6518 74.39777 0.000000       0.000000 
1 1 1 18 0  10 o 96.81566 63.22167 -0.1640811     2.122885  -0.1640811     2.122885  -0.1640811     2.122885  96.81566 63.22167 96.81566 63.22167 0.000000       0.000000 
1 1 1 18 0  12 o 715.7905 28.12905 36.63517       2.839434  36.63517       2.839434  36.63517       2.839434  715.7905 28.12905 715.7905 28.12905 0.000000       0.000000 
1 1 1 18 0  14 o 555.2523 33.13341 22.26529       2.582180  22.26529       2.582180  22.26529       2.582180  555.2523 33.13341 555.2523 33.13341 0.000000       0.000000 
1 1 1 18 0  16 o 215.9501 80.01955 4.631878       2.268845  4.631878       2.268845  4.631878       2.268845  215.9501 80.01955 215.9501 80.01955 0.000000       0.000000 
1 1 1 18 0  18 o 169.0921 85.84129 3.281585       2.565990  3.281585       2.565990  3.281585       2.565990  169.0921 85.84129 169.0921 85.84129 0.000000       0.000000 
1 1 1 18 0  20 o 303.9672 90.58073 8.714525       3.391303  8.714525       3.391303  8.714525       3.391303  303.9672 90.58073 303.9672 90.58073 0.000000       0.000000 
1 1 1 18 0  22 o 196.0284 90.26704 4.506003       2.747696  4.506003       2.747696  4.506003       2.747696  196.0284 90.26704 196.0284 90.26704 0.000000       0.000000 
1 1 1 18 0  24 o 208.3296 109.6720 6.130805       4.291873  6.130805       4.291873  6.130805       4.291873  208.3296 109.6720 208.3296 109.6720 0.000000       0.000000 
1 1 1 18 0  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 0  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 1  1  o 385.3900 27.57983 10.64089       1.494278  11.30013       2.153527  10.02879       2.075110  394.8420 39.05046 371.5003 40.10440 23.34177       55.97589 
1 1 1 18 1  3  o 973.4208 16.00094 67.22040       2.204276  64.79802       3.102367  69.69003       3.132486  954.4298 22.96833 989.9382 22.35946 -35.50836      32.05447 
1 1 1 18 1  5  o 2197.313 17.32392 342.7113       5.387136  344.5494       7.643844  340.8974       7.593528  2199.745 24.55386 2188.073 24.52234 11.67139       34.70212 
1 1 1 18 1  7  o 552.5417 22.03626 21.75329       1.719692  24.07218       2.434305  19.44311       2.429726  579.6829 29.77296 520.0099 33.18933 59.67291       44.58656 
1 1 1 18 1  9  o 166.0120 54.58205 1.953366       1.483487  2.163816       2.075729  1.733650       2.120935  181.0534 64.41421 172.0784 64.48636 8.975006       91.14648 
1 1 1 18 1  11 o 463.4236 26.22392 15.38904       1.712851  15.80502       2.423915  14.97413       2.420763  466.8214 36.99215 453.9966 38.02635 12.82477       53.05113 
1 1 1 18 1  13 f 472.0509 25.81698 15.98726       1.718137  16.47691       2.443517  15.50845       2.416335  476.0151 36.55194 461.4720 37.31724 14.54309       52.23621 
1 1 1 18 1  15 o 682.5928 20.97701 33.30110       2.023994  31.73073       2.855191  34.88734       2.869583  662.6049 30.53020 695.4479 29.22155 -32.84308      42.26099 
1 1 1 18 1  17 o 328.7280 36.72982 7.992328       1.679569  6.877926       2.399836  9.062239       2.351442  294.6641 59.59865 344.5069 49.66236 -49.84283      77.57802 
1 1 1 18 1  19 f 196.4640 54.41898 3.068129       1.564985  4.120936       2.212895  2.014697       2.213551  223.9890 65.61063 173.5102 65.69223 50.47878       92.84516 
1 1 1 18 1  21 f 209.0044 60.88593 3.610267       1.910259  2.707748       2.747959  4.454247       2.657346  191.1440 72.99810 227.3295 72.92720 -36.18541      103.1848 
1 1 1 18 1  23 o 285.6135 76.19296 7.612524       3.136516  11.44698       4.361040  3.503749       4.514339  336.2649 89.90562 208.8993 88.42802 127.3656       126.1053 
1 1 1 18 1  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 1  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 2  0  o 1384.714 22.08209 136.1079       4.324850  136.1079       4.324850  136.1079       4.324850  1384.714 22.08209 1384.714 22.08209 0.000000       0.000000 
1 1 1 18 2  2  o 1351.434 15.55555 129.5466       2.975090  134.3731       4.311167  125.1583       4.110806  1374.677 22.16023 1326.782 21.89311 47.89490       31.15099 
1 1 1 18 2  4  o 343.8969 30.90425 8.516451       1.488040  10.21700       2.175590  7.021586       2.039783  374.4545 41.76439 307.8826 48.41051 66.57193       63.93624 
1 1 1 18 2  6  o 1113.335 15.79567 87.94493       2.488763  88.66142       3.550037  87.25246       3.490016  1116.325 22.47100 1107.474 22.26764 8.851440       31.63532 
1 1 1 18 2  8  o 206.2465 50.65426 3.218626       1.467568  2.978011       2.050092  3.471527       2.101783  201.2704 63.99998 214.6478 64.21736 -13.37747      90.66348 
1 1 1 18 2  10 o 274.3972 40.84576 5.553208       1.537879  3.525456       2.134215  7.743259       2.217980  215.6465 64.75602 322.1021 50.30035 -106.4556      81.99676 
1 1 1 18 2  12 o 390.4197 30.63650 11.00383       1.679192  11.19461       2.377613  10.81398       2.371868  389.8547 43.85390 382.8335 44.61358 7.021210       62.55826 
1 1 1 18 2  14 o 347.5091 39.92814 8.905267       1.928018  9.594113       2.395918  7.639617       3.247634  357.5398 48.60851 307.0442 75.31855 50.49561       89.64191 
1 1 1 18 2  16 o 474.3152 29.22235 16.29307       1.952038  14.15881       3.010501  17.84132       2.564114  432.4958 50.11177 493.0788 37.01545 -60.58304      62.30035 
1 1 1 18 2  18 o 282.9090 43.20361 6.065848       1.674999  4.841386       2.358273  7.312434       2.379482  242.8338 66.62328 304.1851 57.37788 -61.35129      87.92544 
1 1 1 18 2  20 o 143.9926 58.93922 0.9018976      1.910348  2.415096       2.650818  -0.7331781     2.755503  186.1891 71.54763 141.4560 64.04760 44.73315       96.02686 
1 1 1 18 2  22 o 275.5044 58.62401 6.294832       2.215455  5.392469       3.293527  7.040572       2.994087  240.8914 81.37952 279.6698 74.36817 -38.77838      110.2418 
1 1 1 18 2  24 o 225.0963 78.56682 4.928145       3.077032  1.526736       4.291432  8.527165       4.414331  182.3073 81.44730 275.6853 94.19957 -93.37802      124.5280 
1 1 1 18 2  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 2  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 3  1  o 188.9748 50.89840 2.680833       1.391453  0.2650189      1.953011  5.171293       1.982955  138.8681 58.43993 261.7249 55.27247 -122.8569      80.43800 
1 1 1 18 3  3  o 619.6458 20.01377 27.30898       1.752758  30.58869       2.527938  24.27256       2.432373  654.4167 27.35590 582.3358 29.61180 72.08093       40.31382 
1 1 1 18 3  5  o 460.8603 24.42453 15.16638       1.587310  15.88543       2.234256  14.43360       2.255484  469.7715 33.83338 447.1796 35.94252 22.59192       49.36155 
1 1 1 18 3  7  o 739.6669 18.25896 38.86028       1.911315  37.44149       2.642246  40.41751       2.768162  724.2236 25.82120 752.4357 26.03498 -28.21216      36.66816 
1 1 1 18 3  9  o 612.0844 21.14532 26.68903       1.828911  26.19444       2.555861  27.20805       2.618208  604.3369 29.97754 615.9041 30.12944 -11.56720      42.50219 
1 1 1 18 3  11 o 203.5986 53.83685 3.163061       1.574679  1.523905       2.174000  4.972181       2.283931  167.9655 64.72915 253.0693 63.79847 -85.10379      90.88513 
1 1 1 18 3  13 o 742.7358 20.19112 39.33826       2.120369  40.64421       2.951878  37.94612       3.047727  752.4070 27.76973 726.2086 29.71757 26.19843       40.67299 
1 1 1 18 3  15 o 165.9457 57.28032 1.957111       1.633410  1.904316       2.314910  2.009459       2.305100  175.9319 67.04555 177.9334 67.11060 -2.001556      94.86273 
1 1 1 18 3  17 o 310.4151 41.39649 7.225520       1.773261  9.068008       2.453375  5.210062       2.565951  343.1003 52.16792 251.5742 69.68097 91.52608       87.04556 
1 1 1 18 3  19 o 210.0527 56.50005 3.544023       1.715971  3.799611       2.637252  3.356369       2.259748  215.6759 72.82169 204.2872 67.37511 11.38876       99.20889 
1 1 1 18 3  21 o 558.0858 28.87220 22.77320       2.272593  20.50797       3.110938  25.36539       3.327881  519.7316 42.67076 579.9497 40.80740 -60.21814      59.04268 
1 1 1 18 3  23 o 158.5361 68.45914 0.9847105      2.805040  3.188080       3.943990  -1.270669      3.990267  200.5993 83.63696 155.7808 72.83776 44.81853       110.9075 
1 1 1 18 3  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 3  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 4  0  o 1222.045 21.96511 106.0373       3.795981  106.0373       3.795981  106.0373       3.795981  1222.045 21.96511 1222.045 21.96511 0.000000       0.000000 
1 1 1 18 4  2  o 601.5771 20.42629 25.74804       1.736482  28.86213       2.480047  22.75303       2.432166  635.5553 27.63925 563.5107 30.61295 72.04462       41.24416 
1 1 1 18 4  4  o 371.4380 29.74124 9.916048       1.550329  8.930650       2.130833  11.02438       2.259843  349.0536 44.11966 389.0115 41.69829 -39.95786      60.70660 
1 1 1 18 4  6  o 1220.809 15.64219 105.7505       2.702496  103.7282       3.764477  107.9011       3.882047  1207.446 22.03014 1231.418 22.27591 -23.97266      31.32959 
1 1 1 18 4  8  o 130.3954 52.64280 0.6008416      1.499448  -0.2342097     2.102551  1.465096       2.138999  134.9273 58.76005 166.6945 64.21473 -31.76717      87.04179 
1 1 1 18 4  10 o 506.8748 25.94653 18.39434       1.855036  18.40713       2.445580  18.37702       2.846708  504.8270 34.43720 502.5204 40.36784 2.306580       53.06113 
1 1 1 18 4  12 o 286.0861 44.82271 6.106603       1.755188  10.69040       2.673139  2.632738       2.327102  377.7635 51.32787 194.0612 68.28100 183.7023       85.42158 
1 1 1 18 4  14 o 277.3177 43.76805 5.769878       1.660818  8.897218       2.406499  2.925689       2.294972  342.5790 51.20583 198.7708 67.92109 143.8082       85.06063 
1 1 1 18 4  16 o 245.0990 47.93440 4.619868       1.603087  5.922198       2.313163  3.416329       2.223697  272.4222 61.46523 208.2935 66.70098 64.12875       90.70279 
1 1 1 18 4  18 o 106.5148 48.17840 -0.6463795     1.554507  1.328549       2.226208  -2.525640      2.171619  160.4016 64.35794 106.8530 51.06047 53.54860       82.15301 
1 1 1 18 4  20 o 304.0645 45.77187 7.125422       1.908609  3.804260       2.657853  10.66149       2.742498  213.9119 73.09397 367.4228 54.38260 -153.5109      91.10541 
1 1 1 18 4  22 o 330.2894 51.66190 8.744670       2.335750  3.094706       3.198031  15.20459       3.419586  197.5353 77.82069 431.4576 57.42838 -233.9224      96.71649 
1 1 1 18 4  24 o 139.6978 63.86563 -0.4554493     2.824073  -2.182036      3.918303  1.411011       4.073926  145.7146 69.33883 178.1811 79.49691 -32.46648      105.4876 
1 1 1 18 4  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 4  28 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 5  1  o 509.3438 22.52751 18.49181       1.619825  19.14134       2.289671  17.84103       2.291888  516.4670 31.47589 498.2761 32.68192 18.19086       45.37443 
1 1 1 18 5  3  o 200.4493 51.27061 3.033758       1.460081  1.022347       2.029276  5.192738       2.102398  155.3038 61.73415 261.2971 58.33231 -105.9933      84.93388 
1 1 1 18 5  5  o 666.1373 19.51998 31.56113       1.838207  28.76210       2.544837  34.61484       2.658093  634.0389 28.43352 696.0331 27.03630 -61.99420      39.23553 
1 1 1 18 5  7  o 1044.588 16.57068 77.46589       2.449656  77.81004       3.387735  77.08875       3.546382  1045.343 22.89975 1040.139 24.09208 5.204224       33.23893 
1 1 1 18 5  9  o 644.4194 20.82323 29.58565       1.896558  30.36319       2.658378  28.77967       2.706546  650.8035 28.93572 633.1774 30.29226 17.62610       41.89149 
1 1 1 18 5  11 o 536.7300 24.56425 20.61586       1.860914  19.79768       2.642159  21.42125       2.621424  522.6092 35.94304 544.3078 34.20378 -21.69861      49.61654 
1 1 1 18 5  13 o 387.6299 31.86902 10.90316       1.732833  9.232543       2.403576  12.71122       2.500489  350.1244 49.92042 414.6195 43.24946 -64.49512      66.04971 
1 1 1 18 5  15 o 599.0892 23.15050 25.74645       1.959086  22.04348       2.776197  29.41953       2.764971  548.9766 35.93107 637.2065 30.75208 -88.22986      47.29411 
1 1 1 18 5  17 o 612.3782 22.75077 26.94246       1.968248  25.04474       2.751718  28.93053       2.816459  585.3194 33.35746 630.1871 31.68176 -44.86774      46.00493 
1 1 1 18 5  19 o 156.3049 58.02244 1.647014       1.709046  1.216944       2.615776  1.967347       2.257518  164.9765 68.39198 172.3233 66.07591 -7.346725      95.09727 
1 1 1 18 5  21 f 283.3107 50.50336 6.379833       1.950631  3.012821       2.702591  10.04123       2.818261  194.9032 72.84405 350.6469 58.87724 -155.7438      93.66314 
1 1 1 18 5  23 o 167.5993 71.03014 1.584855       2.918532  0.5860124      4.049608  2.664342       4.209913  171.3211 77.59953 194.3041 83.88630 -22.98297      114.2742 
1 1 1 18 5  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 5  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 6  0  o 934.5012 23.49415 62.09886       3.102693  62.09886       3.102693  62.09886       3.102693  934.5012 23.49415 934.5012 23.49415 0.000000       0.000000 
1 1 1 18 6  2  o 621.1220 20.50146 27.45581       1.799642  27.31378       2.520983  27.60340       2.569877  617.7692 28.91548 620.9424 29.32717 -3.173218      41.18481 
1 1 1 18 6  4  o 815.5963 18.04125 47.24559       2.082388  47.18873       2.936637  47.30309       2.953316  813.1924 25.54915 814.1473 25.66433 -0.9548950     36.21349 
1 1 1 18 6  6  o 733.3108 20.35243 38.27016       2.110105  38.18164       2.724334  38.40289       3.335998  731.0424 26.37610 731.4149 32.30837 -0.3724976     41.70766 
1 1 1 18 6  8  o 827.6351 19.36162 48.70940       2.267777  51.25266       3.435823  46.74613       3.018746  845.9918 28.73927 808.6524 26.41363 37.33942       39.03365 
1 1 1 18 6  10 o 727.4290 19.53975 37.68402       2.009721  43.13369       2.876733  32.48857       2.808833  776.3320 26.22141 672.5725 29.58221 103.7595       39.53062 
1 1 1 18 6  12 o 533.0602 24.96943 20.37347       1.878435  19.77522       2.595442  21.03154       2.722098  521.7393 35.35992 537.8874 35.96627 -16.14807      50.43706 
1 1 1 18 6  14 o 551.0714 24.37597 21.80876       1.896328  21.99642       2.686169  21.62231       2.677479  549.3287 34.73043 544.5292 34.92861 4.799438       49.25658 
1 1 1 18 6  16 o 514.9575 25.32273 19.12085       1.839788  20.71607       2.644958  17.62554       2.560789  531.4361 35.36932 489.0589 37.28018 42.37717       51.38872 
1 1 1 18 6  18 o 371.7078 34.89031 10.21636       1.813924  13.59345       2.932440  8.123317       2.308590  420.1413 50.31864 322.5331 52.37178 97.60825       72.62760 
1 1 1 18 6  20 o 400.3763 31.84888 11.82677       1.789743  13.34764       2.799717  10.77577       2.327389  414.7524 48.62052 374.7472 44.76904 40.00516       66.09252 
1 1 1 18 6  22 o 213.0094 67.68791 4.022420       2.293486  5.159919       3.182167  2.792826       3.308478  232.6251 79.96420 191.4482 77.86562 41.17691       111.6124 
1 1 1 18 6  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 6  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 7  1  o 602.3795 21.40719 25.84421       1.822043  25.20779       2.579991  26.47744       2.573536  592.8296 30.85788 607.8327 30.01037 -15.00311      43.04452 
1 1 1 18 7  3  o 587.7564 21.55130 24.61078       1.789594  25.19421       2.556803  24.05042       2.505708  592.6816 30.58635 579.0103 30.68867 13.67126       43.32804 
1 1 1 18 7  5  o 999.2716 17.14859 70.91258       2.425111  71.11319       3.383999  70.70078       3.477147  998.9801 23.93611 995.8619 24.67199 3.118164       34.37506 
1 1 1 18 7  7  o 612.9424 21.72778 26.78422       1.881773  27.59021       2.618143  25.92289       2.706514  620.0536 29.92460 600.3873 31.96889 19.66638       43.78917 
1 1 1 18 7  9  f 862.6812 18.99648 52.94317       2.319227  53.25351       3.171367  52.58638       3.400359  862.8220 26.00168 856.6247 28.08677 6.197327       38.27472 
1 1 1 18 7  11 o 316.1854 37.78243 7.342891       1.657218  10.13872       2.323174  4.446221       2.364698  369.5476 45.37243 237.8340 67.26486 131.7136       81.13704 
1 1 1 18 7  13 o 315.4507 38.01674 7.350441       1.662997  6.978988       2.296492  7.759987       2.411376  300.1917 56.11906 317.0825 55.77223 -16.89081      79.11948 
1 1 1 18 7  15 f 466.7704 27.34393 15.75820       1.798365  18.89087       2.615341  12.94851       2.476850  506.9541 36.70206 416.4645 42.62510 90.48965       56.24892 
1 1 1 18 7  17 o 465.5525 27.08754 15.71407       1.776962  16.54086       2.565822  14.95202       2.463319  471.8707 38.76379 448.2447 39.22654 23.62607       55.14846 
1 1 1 18 7  19 o 297.4066 41.23012 6.725532       1.688726  3.405985       2.606946  9.125577       2.216677  204.8651 72.25410 344.0039 46.74019 -139.1387      86.05405 
1 1 1 18 7  21 o 408.0338 34.89884 12.47978       1.995911  11.00698       2.777090  14.05334       2.870516  368.5188 54.92396 422.2599 48.94050 -53.74112      73.56503 
1 1 1 18 7  23 o 389.5156 56.46914 12.71249       3.022163  10.23649       4.045611  15.83884       4.545982  312.5146 87.84126 402.2682 82.62037 -89.75360      120.5911 
1 1 1 18 7  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 7  27 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 8  0  o 443.3341 37.68341 14.32224       2.323470  14.32224       2.323470  14.32224       2.323470  443.3341 37.68341 443.3341 37.68341 0.000000       0.000000 
1 1 1 18 8  2  o 221.8827 52.02982 3.735856       1.605288  3.122049       2.112752  4.574191       2.469117  205.2989 64.93311 243.6519 68.67307 -38.35303      94.51084 
1 1 1 18 8  4  o 538.5814 25.82846 20.74596       1.962917  22.52759       3.028049  19.45464       2.577929  557.7150 38.60280 519.1017 35.30127 38.61334       52.31019 
1 1 1 18 8  6  o 719.1938 20.22150 36.83154       2.056117  38.27389       2.902931  35.37950       2.912670  731.0256 28.11218 702.4129 29.36554 28.61273       40.65255 
1 1 1 18 8  8  o 429.2950 29.34286 13.26741       1.771981  13.08979       2.425370  13.47078       2.595156  422.9837 41.03156 428.3253 43.41126 -5.341614      59.73380 
1 1 1 18 8  10 o 873.1511 18.50859 54.26445       2.287086  57.21599       3.271311  51.44238       3.198765  893.7251 25.89144 847.0594 26.71728 46.66571       37.20456 
1 1 1 18 8  12 o 310.0415 38.86986 7.111508       1.668122  7.127002       2.358109  7.095989       2.360054  303.2622 57.03769 302.5059 57.22296 0.7563171      80.79459 
1 1 1 18 8  14 o 261.0665 45.75733 5.195142       1.628970  7.242941       2.355993  3.319538       2.254763  304.1919 56.81644 205.9300 67.26755 98.26192       88.05129 
1 1 1 18 8  16 o 706.1326 20.61655 35.73750       2.058054  35.19679       3.020173  36.20623       2.812018  695.3686 30.76617 706.8781 28.16593 -11.50946      41.71183 
1 1 1 18 8  18 o 622.2273 23.65026 27.94307       2.078803  28.50815       3.335282  27.58411       2.658311  618.8363 38.27076 614.1304 30.68338 4.705933       49.05223 
1 1 1 18 8  20 f 559.2803 25.07974 22.73890       1.980004  22.21995       3.153519  23.07661       2.543955  540.5388 41.54230 558.5630 32.32036 -18.02417      52.63429 
1 1 1 18 8  22 o 289.6303 54.81137 6.998919       2.164388  4.614129       2.997016  9.598492       3.129067  219.4253 77.46410 325.5222 70.00368 -106.0968      104.4088 
1 1 1 18 8  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 8  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 9  1  o 898.9675 17.90095 57.42270       2.277402  59.79567       3.281479  55.21767       3.163241  915.1016 25.36294 879.3203 25.44617 35.78137       35.92752 
1 1 1 18 9  3  o 661.7945 20.98493 31.20383       1.962913  30.91874       2.751678  31.49921       2.800935  656.5245 29.69289 662.5936 29.94746 -6.069153      42.17248 
1 1 1 18 9  5  o 645.1658 22.28164 29.69406       2.031355  31.98426       2.892817  27.46626       2.853135  667.2096 30.71891 617.5353 32.76406 49.67426       44.91253 
1 1 1 18 9  7  f 140.3471 55.23380 0.9145181      1.609558  1.889013       2.234403  -0.1365767     2.320560  176.5115 66.18031 142.3407 61.86280 34.17084       90.59161 
1 1 1 18 9  9  o 348.8556 34.17165 8.863769       1.665447  10.26941       2.392536  7.542355       2.319746  371.5122 46.52288 314.8456 54.00571 56.66666       71.28110 
1 1 1 18 9  11 o 239.2622 49.95650 4.397117       1.636859  1.527122       2.324106  7.221931       2.305740  168.9861 66.41168 306.1513 55.24998 -137.1652      86.38908 
1 1 1 18 9  13 o 313.6703 37.32019 7.286546       1.624229  6.614477       2.315736  7.937303       2.278723  289.7352 58.49433 321.3281 51.87632 -31.59293      78.18401 
1 1 1 18 9  15 o 524.8322 24.60843 19.86105       1.822691  21.25925       2.631328  18.57134       2.527175  538.1376 34.73666 502.2748 35.78727 35.86276       49.87348 
1 1 1 18 9  17 o 348.4200 34.07207 8.986920       1.658598  7.420961       2.377259  10.47218       2.315195  304.4480 57.27673 370.5381 45.07676 -66.09015      72.88715 
1 1 1 18 9  19 o 126.3824 52.69938 0.5392448      1.566115  1.295145       2.588860  0.1029544      1.966818  163.1619 67.87346 130.0411 56.72870 33.12082       88.45876 
1 1 1 18 9  21 o 224.4987 56.59547 4.271544       1.797330  4.342372       2.600628  4.206780       2.486807  217.4857 72.29886 215.0856 70.66657 2.400116       101.0984 
1 1 1 18 9  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 9  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 10 0  o 541.3557 40.18777 21.30757       3.039012  21.30757       3.039012  21.30757       3.039012  541.3557 40.18777 541.3557 40.18777 0.000000       0.000000 
1 1 1 18 10 2  o 222.0575 54.38894 3.773723       1.695423  6.006052       2.636012  2.198713       2.214164  277.2187 67.76854 183.3441 66.36844 93.87457       94.85433 
1 1 1 18 10 4  o 579.9944 23.23974 24.03266       1.903683  28.28328       2.777152  20.26500       2.614622  626.8738 31.40400 529.2083 35.10952 97.66547       47.10509 
1 1 1 18 10 6  o 639.7571 22.01914 29.21969       1.990616  27.99051       2.833215  30.41802       2.797438  622.9903 32.24473 650.1494 30.48870 -27.15906      44.37661 
1 1 1 18 10 8  o 226.5737 52.33286 3.948938       1.644227  3.400153       2.336595  4.487228       2.314143  211.4421 68.43465 238.7211 66.19377 -27.27895      95.20985 
1 1 1 18 10 10 o 629.0822 21.87525 28.31378       1.944549  29.12573       2.818423  27.57615       2.686344  634.3485 31.49333 617.4887 30.83822 16.85980       44.07750 
1 1 1 18 10 12 f 262.3645 45.33493 5.236099       1.622428  4.617636       2.307456  5.840822       2.281680  238.9703 66.03501 270.7677 61.01114 -31.79739      89.90540 
1 1 1 18 10 14 o 281.8687 40.62355 5.980761       1.573762  4.007451       2.300205  7.717425       2.157878  221.7035 67.36882 316.4977 49.82175 -94.79425      83.79001 
1 1 1 18 10 16 o 140.2591 54.55399 1.117688       1.554943  -0.6352605     2.244555  2.735274       2.156152  129.0349 58.17212 188.1707 65.76166 -59.13571      87.79858 
1 1 1 18 10 18 o 117.7875 51.29434 0.1637272E-01  1.602122  -0.6626669E-01 2.595992  0.6721146E-01  2.036138  144.1549 63.93764 131.6978 57.58003 12.45712       86.04349 
1 1 1 18 10 20 o 102.8036 46.93147 -0.6476300     1.517904  -0.5356157     2.384183  -0.7239797     1.968369  130.4686 59.27204 116.6578 53.32737 13.81079       79.73069 
1 1 1 18 10 22 o 207.4247 83.14904 4.175492       3.712460  4.175492       3.712460  0.000000       0.000000  207.4247 83.14904 ?        ?        ?              ?        
1 1 1 18 10 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 10 26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 11 1  o 495.0963 26.28106 17.57764       1.834821  16.42764       2.582117  18.75055       2.607730  474.8768 38.75840 508.3342 36.49157 -33.45743      53.23390 
1 1 1 18 11 3  o 276.6591 45.47147 5.724793       1.718545  5.936952       2.421054  5.509331       2.439835  275.9991 63.32975 265.1848 65.42209 10.81424       91.05332 
1 1 1 18 11 5  o 536.8405 26.81370 20.69077       2.030696  26.15426       2.733780  13.96507       3.033173  601.8767 32.21226 432.4600 50.51013 169.4167       59.90745 
1 1 1 18 11 7  o 484.4187 27.27742 16.88614       1.862455  18.98526       2.705655  14.99580       2.567584  509.9557 37.75825 451.8096 40.58800 58.14612       55.43529 
1 1 1 18 11 9  o 155.5302 56.43162 1.589134       1.602004  2.270146       2.263245  0.9053091      2.267913  182.9316 66.96747 155.9499 64.06889 26.98170       92.67936 
1 1 1 18 11 11 o 590.8653 22.98301 25.06047       1.918166  24.26256       2.695375  25.87923       2.730355  576.9573 33.15033 596.2703 32.47872 -19.31299      46.40918 
1 1 1 18 11 13 o 188.0045 55.26197 2.781672       1.567541  1.136105       2.317869  4.168639       2.127962  159.0074 64.98447 226.3819 63.73402 -67.37448      91.02202 
1 1 1 18 11 15 o 529.6231 24.16071 20.25497       1.806138  23.76527       2.730829  17.52547       2.408043  568.2330 34.11559 487.0923 35.16961 81.14072       48.99770 
1 1 1 18 11 17 o 217.3894 53.35496 3.821891       1.629055  5.334570       2.515214  2.728795       2.138114  248.9471 69.00210 186.0218 65.44991 62.92538       95.10509 
1 1 1 18 11 19 o 527.6182 25.76769 20.33490       1.918226  18.21259       2.957026  21.87688       2.520521  485.4810 43.49963 541.9340 33.02102 -56.45294      54.61323 
1 1 1 18 11 21 o 198.5980 68.61992 3.602000       2.344371  5.259061       2.837118  0.3492443E-01  4.162596  231.8156 75.43808 165.2495 76.27281 66.56619       107.2774 
1 1 1 18 11 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 11 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 12 0  o 665.4284 30.27669 31.77119       2.837730  31.77119       2.837730  31.77119       2.837730  665.4284 30.27669 665.4284 30.27669 0.000000       0.000000 
1 1 1 18 12 2  o 642.8092 21.72413 29.51165       1.973421  34.02570       2.850403  25.35613       2.734860  687.6960 29.35555 592.2465 32.75727 95.44946       43.98621 
1 1 1 18 12 4  o 583.5463 25.32992 24.42270       2.086860  23.38790       2.794742  25.72684       3.137426  567.5952 34.96199 594.2875 37.49527 -26.69238      51.26632 
1 1 1 18 12 6  o 223.0129 55.07904 3.870268       1.727934  1.418363       2.608119  5.788448       2.306855  173.0235 69.57754 271.1921 61.52435 -98.16862      92.87776 
1 1 1 18 12 8  o 141.0336 55.78603 0.9627959      1.649400  0.3881506      2.358343  1.513021       2.307689  149.2944 63.58294 167.7026 66.09443 -18.40820      91.71294 
1 1 1 18 12 10 f 158.8761 56.48524 1.753790       1.595910  2.290578       2.340247  1.287155       2.181972  182.8880 67.89568 159.7530 63.84503 23.13498       93.19877 
1 1 1 18 12 12 o 144.9315 55.80648 1.222610       1.615008  2.300570       2.348156  0.2549589      2.224770  181.9321 67.91898 141.9628 61.13281 39.96936       91.37948 
1 1 1 18 12 14 o 208.4314 51.21245 3.450379       1.499616  1.949306       2.108643  4.986507       2.133124  169.7295 64.14917 246.6100 61.36720 -76.88049      88.77527 
1 1 1 18 12 16 f 153.7085 54.59670 1.719092       1.490659  -1.291003      2.086351  4.858119       2.130566  115.3198 53.49648 241.1646 62.06447 -125.8448      81.93822 
1 1 1 18 12 18 o 100.7655 46.53720 -0.9086152     1.552966  1.622800       2.450579  -2.607459      2.007538  164.2715 66.93867 98.57958 47.61390 65.69196       82.14542 
1 1 1 18 12 20 f 120.9490 52.55249 0.2454308      1.673757  -1.046903      2.370081  1.531174       2.364030  122.4350 56.87296 157.3832 65.11007 -34.94817      86.45146 
1 1 1 18 12 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 12 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 13 1  f 304.9252 40.23678 6.891738       1.694013  9.042588       2.457439  4.944241       2.338385  345.3026 51.89120 249.5287 65.42732 95.77388       83.50707 
1 1 1 18 13 3  o 332.4241 37.27010 8.130863       1.723211  9.316656       2.427619  6.926585       2.446467  350.9577 50.31442 297.6670 60.14706 53.29071       78.41690 
1 1 1 18 13 5  o 221.7084 53.15341 3.826143       1.646111  2.702573       2.345918  4.915945       2.310395  193.4468 68.51263 247.9098 65.04991 -54.46298      94.47472 
1 1 1 18 13 7  o 165.4140 57.76537 1.943120       1.663494  1.295494       2.331275  2.614921       2.374389  163.6159 65.78585 190.9467 68.78015 -27.33083      95.17609 
1 1 1 18 13 9  o 178.8176 57.11430 2.455065       1.631226  2.758412       2.355977  2.175740       2.260771  192.7892 68.62121 178.8895 66.67088 13.89967       95.67590 
1 1 1 18 13 11 o 139.1288 54.32986 1.054945       1.547093  -1.176062      2.244392  3.074733       2.135507  123.0099 56.49626 197.4064 65.51196 -74.39649      86.50806 
1 1 1 18 13 13 o 232.7808 47.56240 4.237765       1.513875  5.069363       2.190922  3.477947       2.094233  247.9168 62.47840 206.2614 64.56771 41.65547       89.84731 
1 1 1 18 13 15 o 323.5650 35.63932 7.833278       1.604967  6.313047       2.291934  9.296084       2.248230  276.7042 60.24089 346.2191 47.10553 -69.51489      76.47154 
1 1 1 18 13 17 o 178.6995 56.04040 2.615695       1.576881  2.050624       2.368595  3.065508       2.113274  171.0688 67.10005 191.3024 65.18114 -20.23355      93.54677 
1 1 1 18 13 19 o 369.8328 36.13075 10.44770       1.866954  14.19472       2.721878  7.118625       2.565591  422.0431 46.33229 281.6533 65.59270 140.3898       80.30619 
1 1 1 18 13 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 13 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 13 25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 14 0  o 363.7245 54.54041 10.24322       2.621403  10.24322       2.621403  10.24322       2.621403  363.7245 54.54041 363.7245 54.54041 0.000000       0.000000 
1 1 1 18 14 2  o 151.2522 56.99104 1.387460       1.661423  1.666057       2.311152  1.089517       2.390048  170.5943 66.46514 161.5406 66.00043 9.053772       93.66788 
1 1 1 18 14 4  o 753.3347 21.99782 40.65326       2.342729  36.32449       3.018353  47.21244       3.715466  708.2412 30.18325 806.0662 32.63787 -97.82495      44.45514 
1 1 1 18 14 6  o 253.1033 46.29539 4.905729       1.597181  4.013577       2.284537  5.758716       2.233828  222.9391 67.00950 268.6130 60.25062 -45.67392      90.11332 
1 1 1 18 14 8  o 255.2966 50.86496 5.084447       1.773174  4.637033       2.430830  5.593252       2.592238  237.0928 68.57030 259.5978 69.27391 -22.50505      97.47184 
1 1 1 18 14 10 o 148.0034 56.37617 1.347311       1.636282  -0.7945635     2.496822  2.959674       2.166317  134.6364 60.96280 194.3165 65.99753 -59.68008      89.84507 
1 1 1 18 14 12 o 192.3705 54.51177 2.968130       1.551508  2.371516       2.201517  3.556840       2.186885  179.6734 66.00299 207.8731 66.10084 -28.19975      93.41154 
1 1 1 18 14 14 o 107.2512 47.86049 -0.3438400     1.477383  1.208043       2.135741  -1.767808      2.045829  153.4525 62.50561 108.6675 51.23080 44.78498       80.81798 
1 1 1 18 14 16 o 104.3102 47.49114 -0.6276650     1.541007  -0.1180598     2.311504  -1.035354      2.067483  134.6851 59.99956 116.3691 53.72657 18.31599       80.53876 
1 1 1 18 14 18 o 145.5951 56.49855 1.461855       1.664786  -0.2385989     2.332229  3.228428       2.377140  130.9991 59.15545 190.8170 68.80874 -59.81787      90.74145 
1 1 1 18 14 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 14 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 14 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 15 1  o 102.9454 47.24017 -0.9415587     1.564588  1.358613       2.280065  -2.988508      2.150902  163.0252 65.22672 102.5296 49.46304 60.49562       81.86035 
1 1 1 18 15 3  o 294.8885 41.94269 6.546598       1.701087  7.800727       2.473768  5.421596       2.342959  314.7282 57.66404 258.3595 64.32848 56.36877       86.39036 
1 1 1 18 15 5  o 309.5755 38.46186 7.151985       1.648836  8.109354       2.379037  6.267040       2.287282  322.4024 54.05286 279.8790 59.57658 42.52335       80.44303 
1 1 1 18 15 7  f 178.3977 55.97107 2.480089       1.572804  5.621353       2.276771  -0.3873127     2.175261  262.7341 62.20224 130.8682 58.25772 131.8659       85.22371 
1 1 1 18 15 9  o 180.0683 55.09589 2.557550       1.534961  4.364008       2.218827  0.8995600      2.125692  229.3992 65.25106 149.3266 61.75549 80.07256       89.84119 
1 1 1 18 15 11 o 176.4853 54.63604 2.468856       1.504065  3.700237       2.222408  1.428228       2.043033  210.8887 66.58350 156.7556 62.06100 54.13307       91.02159 
1 1 1 18 15 13 o 138.7683 53.70330 1.163413       1.501051  2.081909       2.140352  0.2744288      2.105686  170.6815 64.60246 136.4595 59.12001 34.22200       87.57085 
1 1 1 18 15 15 o 179.9836 54.29591 2.663196       1.497903  2.579094       2.132123  2.745160       2.104850  179.3694 65.09936 183.0781 64.89159 -3.708664      91.91759 
1 1 1 18 15 17 o 133.6931 54.91817 0.9243375      1.666072  1.406109       2.357208  0.4434044      2.355157  155.2787 64.69367 140.4449 61.65102 14.83386       89.36509 
1 1 1 18 15 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 15 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 15 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 16 0  o 114.6420 70.49030 0.9682180      2.215927  0.9682180      2.215927  0.9682180      2.215927  114.6420 70.49030 114.6420 70.49030 0.000000       0.000000 
1 1 1 18 16 2  o 208.1359 54.39996 3.449640       1.619955  2.841460       2.364916  3.987278       2.223540  193.4023 68.76043 220.6362 66.06115 -27.23392      95.35236 
1 1 1 18 16 4  o 153.9858 56.00394 1.625330       1.579088  0.9311773      2.276496  2.269040       2.192222  153.7917 63.78314 178.5278 65.81529 -24.73607      91.65119 
1 1 1 18 16 6  o 280.2102 41.67454 5.963219       1.602394  7.704906       2.357634  4.467929       2.184509  311.8007 55.46208 232.4408 64.25978 79.35992       84.88440 
1 1 1 18 16 8  o 92.60885 43.77967 -1.517050      1.512939  0.2970537      2.203146  -3.136024      2.081287  140.6499 60.70310 97.96703 47.59219 42.68285       77.13549 
1 1 1 18 16 10 o 242.0804 46.59681 4.593364       1.538447  4.425326       2.208125  4.751880       2.144650  228.8516 65.09291 238.1556 62.76081 -9.303970      90.42127 
1 1 1 18 16 12 f 148.6946 55.74251 1.507854       1.585051  -0.5535511     2.116313  4.141635       2.392147  124.5299 56.28138 218.6780 69.08416 -94.14806      89.10789 
1 1 1 18 16 14 o 113.6471 49.81848 -0.1026395E-01 1.533077  -1.226043      2.313841  0.9411082      2.046828  120.8808 56.16572 144.2007 60.19700 -23.31990      82.33024 
1 1 1 18 16 16 o 156.4806 56.95130 1.934731       1.633364  0.6899606      2.336428  3.124580       2.284303  143.2686 62.17150 187.7546 67.48394 -44.48596      91.75716 
1 1 1 18 16 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 16 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 16 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 17 1  o 284.5048 41.09647 6.140405       1.606783  6.904805       2.370340  5.490537       2.185560  292.2662 59.33638 259.1993 60.66153 33.06686       84.85651 
1 1 1 18 17 3  o 175.4621 55.62748 2.415225       1.549773  -0.1740967     2.246755  4.765473       2.140522  135.0506 59.71118 240.1768 62.41338 -105.1263      86.37624 
1 1 1 18 17 5  o 103.0712 46.80196 -0.6494986     1.484224  -0.1106603E-01 2.135015  -1.246610      2.064767  134.0160 58.76783 115.5813 53.47872 18.43465       79.45836 
1 1 1 18 17 7  o 210.9317 50.09974 3.552018       1.473200  1.906086       2.101608  5.142179       2.065696  167.2912 63.85070 249.9275 59.30075 -82.63629      87.14063 
1 1 1 18 17 9  o 104.5069 47.32739 -0.5709843     1.505489  0.5470529      2.117496  -1.713832      2.140862  141.0975 60.17533 112.0627 52.69979 29.03479       79.98962 
1 1 1 18 17 11 o 133.5312 53.12973 0.9741252      1.504401  2.006273       2.221436  0.9973634E-01  2.044632  168.7449 65.32382 131.2358 57.53064 37.50914       87.04583 
1 1 1 18 17 13 o 92.70413 43.54715 -1.199406      1.454650  0.5193601      2.111965  -2.750734      2.006459  137.9342 59.48176 96.76729 46.94402 41.16693       75.77480 
1 1 1 18 17 15 o 74.78101 37.26363 -3.596698      1.576371  -5.531000      2.288908  -1.851467      2.174166  86.73633 43.47179 108.5067 51.63815 -21.77037      67.50034 
1 1 1 18 17 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 17 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 17 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 18 0  o 112.2475 69.30122 0.9412078      2.162574  0.9412078      2.162574  0.9412078      2.162574  112.2475 69.30122 112.2475 69.30122 0.000000       0.000000 
1 1 1 18 18 2  o 107.0954 48.15962 -0.4773785     1.527408  -0.9415977E-01 2.214483  -0.8251237     2.109500  134.4394 59.36809 121.6641 55.45890 12.77529       81.24198 
1 1 1 18 18 4  o 128.4408 52.43917 0.7038683      1.507447  0.9840411      2.153348  0.4346102      2.110987  149.8024 62.07280 139.4848 59.79924 10.31760       86.19154 
1 1 1 18 18 6  o 219.6588 49.35151 3.860070       1.496626  6.483291       2.204167  1.616108       2.038613  281.4884 57.28136 159.2009 62.30819 122.2876       84.63725 
1 1 1 18 18 8  o 154.7075 54.41793 1.799612       1.478007  2.967152       2.136044  0.7271533      2.047220  189.7982 65.50373 141.7390 59.75084 48.05927       88.66173 
1 1 1 18 18 10 o 195.4960 52.39832 3.151268       1.479070  2.251896       2.146176  3.964818       2.041212  171.9197 64.77477 214.0814 63.09672 -42.16171      90.42658 
1 1 1 18 18 12 o 144.1824 52.99858 1.530264       1.419820  2.108601       2.053722  1.000781       1.965068  165.6857 63.14783 142.1048 59.12539 23.58096       86.50700 
1 1 1 18 18 14 o 121.5661 52.07805 0.4490592      1.598826  3.533106       2.326612  -2.310449      2.200794  194.7676 68.29398 104.7466 50.40639 90.02094       84.88152 
1 1 1 18 18 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 18 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 18 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 19 1  f 212.7712 51.41367 3.668598       1.530735  5.150849       2.177221  2.219731       2.152563  246.6115 62.35646 173.1461 64.94897 73.46542       90.03719 
1 1 1 18 19 3  o 171.0712 54.24327 2.347702       1.473558  4.881711       2.164022  0.1569678      2.012113  239.2959 63.03522 131.5489 57.38247 107.7470       85.24194 
1 1 1 18 19 5  o 153.3291 55.01922 1.742584       1.517680  2.675456       2.173591  0.8550966      2.120058  182.6696 65.80646 145.2766 60.99715 37.39308       89.72816 
1 1 1 18 19 7  o 138.5964 53.21737 1.238889       1.465758  3.608122       2.194619  -0.6690366     1.969409  203.9745 66.34645 117.6933 53.62450 86.28123       85.30791 
1 1 1 18 19 9  o 101.8161 46.23422 -0.5240467     1.448642  1.169822       2.148274  -1.936592      1.961783  149.3727 61.95652 102.4836 48.85019 46.88905       78.89836 
1 1 1 18 19 11 o 139.8914 55.46996 1.255636       1.634485  1.230740       2.418349  1.276572       2.217685  152.8716 64.71713 150.3833 62.70945 2.488312       90.11538 
1 1 1 18 19 13 o 207.5482 53.98093 3.750044       1.600278  6.327743       2.431863  1.781339       2.125266  259.9875 65.99163 155.7775 62.74969 104.2101       91.06273 
1 1 1 18 19 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 19 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 19 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 20 0  o 124.6866 71.61678 1.709373       2.014491  1.709373       2.014491  1.709373       2.014491  124.6866 71.61678 124.6866 71.61678 0.000000       0.000000 
1 1 1 18 20 2  o 100.9336 46.17532 -0.6848145     1.479577  -1.669474      2.131513  0.2308103      2.055435  110.9761 52.31100 132.6698 57.93181 -21.69376      78.05470 
1 1 1 18 20 4  o 97.01742 44.90358 -0.8881153     1.457411  -1.520176      2.130386  -0.3320889     1.998144  112.2105 52.70689 122.5780 55.10581 -10.36752      76.25397 
1 1 1 18 20 6  o 117.8823 49.79743 0.4208871      1.426770  1.247066       2.034491  -0.3786583     2.001430  148.4346 60.79845 121.5001 54.83904 26.93451       81.87656 
1 1 1 18 20 8  f 104.5091 46.69051 -0.2304061     1.410299  0.4552002      2.084127  -0.8095305     1.915459  134.6806 58.57918 112.5822 51.88325 22.09837       78.25211 
1 1 1 18 20 10 o 141.1241 55.38297 1.374961       1.614312  6.060147       2.431903  -2.315810      2.158447  254.7032 66.69310 103.3745 49.78999 151.3287       83.22868 
1 1 1 18 20 12 f 96.49835 45.02757 -0.9146779     1.512288  -2.819812      2.216550  0.7444769      2.068513  100.1174 48.74509 135.7139 58.69655 -35.59650      76.29790 
1 1 1 18 20 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 20 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 20 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 21 1  f 101.2733 45.84794 -0.4443565     1.411450  -2.090840      2.027798  1.103030       1.965827  102.6201 49.11963 143.7163 59.40709 -41.09614      77.08398 
1 1 1 18 21 3  o 131.9482 51.96968 1.075821       1.425938  -0.6590878     2.069253  2.644679       1.967737  118.9589 54.49115 176.6181 62.72852 -57.65923      83.09123 
1 1 1 18 21 5  f 110.1862 48.19180 0.7841036E-01  1.427394  2.818245       2.092062  -2.307927      1.952443  179.9125 64.59219 97.69232 47.12856 82.22015       79.95781 
1 1 1 18 21 7  o 129.6535 51.48738 1.049383       1.410205  2.850793       2.137424  -0.3392065     1.876599  179.0875 65.15346 116.3984 52.76326 62.68905       83.83875 
1 1 1 18 21 9  o 118.3916 51.31880 0.3537972      1.588302  0.1327228      2.379462  0.5314592      2.133078  133.3052 60.01378 133.7874 58.70221 -0.4822388     83.95000 
1 1 1 18 21 11 o 124.5970 52.31799 0.7540007      1.559826  0.9144603E-01  2.267232  1.349443       2.149340  129.4730 58.40877 145.9926 61.36473 -16.51962      84.71844 
1 1 1 18 21 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 21 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 21 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 22 0  o 168.5802 77.38267 3.388881       2.018576  3.388881       2.018576  3.388881       2.018576  168.5802 77.38267 168.5802 77.38267 0.000000       0.000000 
1 1 1 18 22 2  o 104.8375 47.04989 -0.2244615     1.449721  1.404379       2.053934  -1.841561      2.046518  147.8077 60.87366 103.9683 49.65073 43.83939       78.55443 
1 1 1 18 22 4  o 134.6769 52.25082 1.274701       1.423642  -0.8097130     2.117127  2.995188       1.923448  116.2263 53.90753 181.3342 62.17464 -65.10793      82.29038 
1 1 1 18 22 6  o 141.7796 53.79872 1.545865       1.486563  2.713174       2.096052  0.3644961      2.108639  173.0564 64.25391 130.3248 57.72318 42.73157       86.37436 
1 1 1 18 22 8  o 132.0381 53.53284 1.120798       1.558030  -1.579399      2.236534  3.666648       2.171672  110.2496 52.44088 193.6884 66.07396 -83.43887      84.35528 
1 1 1 18 22 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 22 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 22 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 22 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 23 1  o 131.0410 52.00416 1.173060       1.437757  0.7946006      2.035308  1.550026       2.031289  134.4585 58.18855 147.4615 60.61370 -13.00298      84.02338 
1 1 1 18 23 3  o 112.5544 48.65083 0.3433917      1.419369  0.1060377E-01  2.042224  0.6543452      1.974092  122.9017 55.44038 130.8608 56.96362 -7.959061      79.48892 
1 1 1 18 23 5  o 110.9536 49.55239 -0.4073580E-02 1.587022  3.037807       2.430149  -2.266085      2.095604  177.2962 68.40689 99.97364 48.37452 77.32258       83.78304 
1 1 1 18 23 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 23 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 23 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 23 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 23 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 24 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 25 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 25 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 25 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 25 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 25 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 25 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 26 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 26 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 26 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 26 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 26 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 27 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 27 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 18 27 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 0  1  o 773.5839 26.84177 42.69111       2.930555  42.69111       2.930555  42.69111       2.930555  773.5839 26.84177 773.5839 26.84177 0.000000       0.000000 
1 1 1 19 0  3  f 1011.420 23.82138 72.77356       3.405445  72.77356       3.405445  72.77356       3.405445  1011.420 23.82138 1011.420 23.82138 0.000000       0.000000 
1 1 1 19 0  5  o 274.6318 68.22523 6.356744       2.294647  6.356744       2.294647  6.356744       2.294647  274.6318 68.22523 274.6318 68.22523 0.000000       0.000000 
1 1 1 19 0  7  o 440.4131 39.62366 14.21165       2.421435  14.21165       2.421435  14.21165       2.421435  440.4131 39.62366 440.4131 39.62366 0.000000       0.000000 
1 1 1 19 0  9  o 403.5087 44.11058 12.10856       2.442494  12.10856       2.442494  12.10856       2.442494  403.5087 44.11058 403.5087 44.11058 0.000000       0.000000 
1 1 1 19 0  11 o 340.9005 53.90419 9.022747       2.406271  9.022747       2.406271  9.022747       2.406271  340.9005 53.90419 340.9005 53.90419 0.000000       0.000000 
1 1 1 19 0  13 f 231.1585 77.32663 5.075155       2.255400  5.075155       2.255400  5.075155       2.255400  231.1585 77.32663 231.1585 77.32663 0.000000       0.000000 
1 1 1 19 0  15 o 237.2138 77.85215 5.340121       2.317761  5.340121       2.317761  5.340121       2.317761  237.2138 77.85215 237.2138 77.85215 0.000000       0.000000 
1 1 1 19 0  17 o 456.9608 41.84716 15.53471       2.651303  15.53471       2.651303  15.53471       2.651303  456.9608 41.84716 456.9608 41.84716 0.000000       0.000000 
1 1 1 19 0  19 o 333.5455 66.68593 9.271521       2.793313  9.271521       2.793313  9.271521       2.793313  333.5455 66.68593 333.5455 66.68593 0.000000       0.000000 
1 1 1 19 0  21 o 106.2255 73.57401 -1.972733      3.805282  -1.972733      3.805282  -1.972733      3.805282  106.2255 73.57401 106.2255 73.57401 0.000000       0.000000 
1 1 1 19 0  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 0  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 1  0  o 299.9658 59.30072 7.176804       2.238036  7.176804       2.238036  7.176804       2.238036  299.9658 59.30072 299.9658 59.30072 0.000000       0.000000 
1 1 1 19 1  2  o 302.2462 37.90007 6.680113       1.585593  8.252220       2.266933  5.174353       2.218583  332.9847 49.61827 259.3043 61.41016 73.68039       78.95049 
1 1 1 19 1  4  o 317.9877 36.86749 7.377406       1.628394  4.621047       2.290628  10.19362       2.315366  244.3166 65.08451 372.0736 44.87675 -127.7570      79.05641 
1 1 1 19 1  6  o 866.6187 18.15067 53.39516       2.226078  50.24985       3.083664  56.81807       3.216859  838.2274 26.02627 891.5555 25.52178 -53.32806      36.45172 
1 1 1 19 1  8  o 170.7654 56.15347 2.106865       1.570112  2.146909       2.184421  2.064064       2.258373  181.0061 65.86371 180.4308 66.75025 0.5752563      93.77433 
1 1 1 19 1  10 o 534.3799 24.13522 20.46593       1.820534  20.61002       2.592975  20.32584       2.556658  532.7403 34.57927 529.1387 34.32681 3.601624       48.72428 
1 1 1 19 1  12 o 111.0191 49.40774 -0.4378237     1.563444  -0.1502236     2.266245  -0.6990142     2.159688  138.7259 60.69750 127.8360 57.39446 10.88998       83.53629 
1 1 1 19 1  14 o 467.0865 29.54621 15.83951       1.943066  11.91901       2.497836  21.84753       3.092140  398.0774 45.13358 543.0878 40.52391 -145.0103      60.65664 
1 1 1 19 1  16 o 891.1790 18.73536 56.77438       2.362907  54.54340       3.321803  59.05951       3.361869  868.3227 27.06472 904.1332 26.30210 -35.81049      37.73989 
1 1 1 19 1  18 o 217.7097 52.63388 3.799600       1.603624  4.359882       2.236874  3.207154       2.300184  228.0027 65.72836 199.2011 67.99983 28.80157       94.57375 
1 1 1 19 1  20 o 91.50008 45.43699 -4.790813      2.263019  -7.196193      3.989632  -3.649773      2.747841  122.4007 60.70361 112.7316 54.74629 9.669090       81.74402 
1 1 1 19 1  22 f 190.8678 75.24845 3.085036       2.992038  0.4487099      4.221323  5.746640       4.241512  171.3175 78.23037 232.7716 90.22188 -61.45415      119.4152 
1 1 1 19 1  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 1  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 2  1  o 659.4551 20.29617 30.96492       1.891916  32.18821       2.660045  29.71264       2.691378  670.4738 28.09642 643.7029 29.62343 26.77087       40.82838 
1 1 1 19 2  3  o 520.5870 23.97828 19.36355       1.761827  23.73517       2.558016  15.41820       2.430102  574.5277 31.58249 461.0368 37.57053 113.4909       49.08154 
1 1 1 19 2  5  f 122.8899 52.11822 0.1390354      1.573144  0.8812839      2.201783  -0.6350266     2.248474  156.1284 63.51349 133.3477 59.30367 22.78076       86.89585 
1 1 1 19 2  7  o 644.8390 20.57309 29.64407       1.875057  26.65149       2.614978  32.81102       2.690079  608.6656 30.45449 676.2766 28.16909 -67.61096      41.48462 
1 1 1 19 2  9  o 142.3545 55.07122 1.055498       1.578070  1.909068       2.247066  0.2248427      2.216700  176.3622 66.31618 144.2587 61.54752 32.10347       90.47615 
1 1 1 19 2  11 o 313.6600 37.62829 7.256499       1.636992  7.362125       2.293462  7.146799       2.337273  309.5378 54.33609 303.9918 56.40474 5.546021       78.31925 
1 1 1 19 2  13 o 256.7533 45.67037 5.022668       1.598651  3.719518       2.274924  6.294026       2.247003  216.1661 67.23872 282.7112 58.10530 -66.54512      88.86658 
1 1 1 19 2  15 o 152.6683 57.35397 1.475400       1.679916  1.326850       2.251595  1.661926       2.523029  161.2417 64.71392 172.6277 68.76546 -11.38597      94.42764 
1 1 1 19 2  17 o 163.3048 58.35222 1.923416       1.705221  3.070221       2.704240  1.166422       2.197083  199.8614 73.19574 155.6914 63.40462 44.17004       96.83884 
1 1 1 19 2  19 f 130.6871 52.79555 0.8096698      1.509274  -1.638310      2.166741  3.116910       2.103533  113.7528 53.34344 194.7132 65.03029 -80.96042      84.10982 
1 1 1 19 2  21 o 407.3924 56.60405 13.71968       3.175439  9.836863       4.277978  18.48405       4.738792  305.5495 91.66488 447.6066 77.62086 -142.0571      120.1143 
1 1 1 19 2  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 2  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 3  0  f 635.3019 30.17862 28.92185       2.699300  28.92185       2.699300  28.92185       2.699300  635.3019 30.17862 635.3019 30.17862 0.000000       0.000000 
1 1 1 19 3  2  o 412.7516 27.76307 12.23247       1.612288  12.69950       2.309728  11.78865       2.251621  417.5428 39.55951 401.9984 40.11271 15.54440       56.33813 
1 1 1 19 3  4  o 789.3394 19.15179 44.31334       2.139404  42.68230       2.981302  46.04500       3.071880  772.1763 27.32467 802.1277 27.09973 -29.95135      38.48419 
1 1 1 19 3  6  o 884.3524 17.87346 55.60487       2.236938  57.84697       3.209580  53.48705       3.119365  899.5377 25.23704 864.8500 25.51413 34.68768       35.88703 
1 1 1 19 3  8  o 733.8595 19.83221 38.38515       2.057811  36.95080       2.895037  39.84993       2.925573  717.2202 28.57934 745.1661 27.79071 -27.94592      39.86354 
1 1 1 19 3  10 o 315.6525 38.21260 7.345576       1.672297  4.824699       2.302587  10.15951       2.432747  246.6788 65.04196 368.1732 47.81877 -121.4944      80.72851 
1 1 1 19 3  12 o 603.8588 22.42781 26.13244       1.913317  26.10878       2.693748  26.15654       2.718094  599.7607 31.85071 600.1842 32.11771 -0.4234619     45.23289 
1 1 1 19 3  14 o 400.9082 30.73918 11.71674       1.730739  10.13432       2.397773  13.43798       2.500742  365.3240 47.50153 424.2181 42.21394 -58.89417      63.54850 
1 1 1 19 3  16 o 618.4712 22.89159 27.52702       2.000163  25.16690       2.841515  29.84491       2.815973  585.1433 34.46637 639.4790 31.21016 -54.33569      46.49736 
1 1 1 19 3  18 o 196.4071 54.02145 3.110874       1.548293  4.493542       2.256408  1.880605       2.128426  230.8974 65.84223 167.4575 64.17181 63.43993       91.94140 
1 1 1 19 3  20 o 151.5284 63.87255 0.9834602      2.339106  0.7198376      4.261279  1.097150       2.798395  179.3135 80.55405 161.6637 69.06819 17.64986       106.1102 
1 1 1 19 3  22 o 121.3843 57.64727 -2.022595      2.681768  -4.856475      3.612513  1.456348       4.002601  123.3442 60.51338 177.8336 79.10384 -54.48938      99.59561 
1 1 1 19 3  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 3  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 4  1  o 578.5462 22.66166 23.88661       1.851863  25.12670       2.620550  22.64957       2.617313  591.1168 31.43867 560.6369 33.13564 30.47986       45.67669 
1 1 1 19 4  3  o 670.6877 20.81028 32.05338       1.972842  31.62341       2.845255  32.45151       2.737881  663.5565 30.37927 672.6979 28.82589 -9.141418      41.87878 
1 1 1 19 4  5  o 398.1967 30.49784 11.43800       1.705567  13.38153       2.436929  9.571889       2.387892  427.8491 40.73798 358.7896 48.24976 69.05951       63.14762 
1 1 1 19 4  7  o 689.4149 20.64567 33.89459       2.012055  30.89714       2.760601  37.29125       2.938692  655.4144 29.84068 720.5300 28.87772 -65.11560      41.52576 
1 1 1 19 4  9  o 238.3842 49.08671 4.338724       1.600817  3.628008       2.223250  5.103899       2.306857  216.1897 66.33794 254.2715 64.12695 -38.08176      92.26585 
1 1 1 19 4  11 o 386.9161 33.05825 10.91625       1.792833  11.22450       2.370203  10.50405       2.740899  388.1061 43.92463 370.7458 53.80972 17.36032       69.46120 
1 1 1 19 4  13 o 122.7964 53.01168 0.3490373E-01  1.681082  1.804203       2.598552  -1.238543      2.204556  177.5059 70.08099 121.8444 55.97262 55.66148       89.68990 
1 1 1 19 4  15 o 557.8393 23.87045 22.41563       1.880114  20.23980       2.627981  24.69690       2.690902  524.3474 35.62626 581.0702 32.85660 -56.72284      48.46428 
1 1 1 19 4  17 o 421.1914 29.61618 12.97400       1.754087  12.08945       2.461222  13.88705       2.500553  398.6173 44.38066 429.1959 41.69281 -30.57858      60.89280 
1 1 1 19 4  19 o 425.4857 28.89666 13.29265       1.729688  15.08112       2.469406  11.57001       2.423537  446.5187 39.48456 386.9543 45.10025 59.56433       59.94216 
1 1 1 19 4  21 o 176.4903 71.80559 2.246697       2.814636  0.7848265E-01  3.642526  5.459860       4.434227  160.7503 73.12037 229.8123 91.28738 -69.06203      116.9614 
1 1 1 19 4  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 4  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 5  0  o 1376.748 22.81592 134.7268       4.442663  134.7268       4.442663  134.7268       4.442663  1376.748 22.81592 1376.748 22.81592 0.000000       0.000000 
1 1 1 19 5  2  f 1080.361 16.90392 82.93042       2.584497  84.72264       3.672856  81.17257       3.637463  1089.772 23.81488 1066.592 24.09796 23.17969       33.88009 
1 1 1 19 5  4  o 791.2488 19.08588 44.54270       2.137200  43.67533       2.958101  45.48988       3.091205  781.0082 26.80289 796.8569 27.45218 -15.84863      38.36687 
1 1 1 19 5  6  o 349.5945 34.65874 8.896422       1.692186  9.282728       2.401118  8.515224       2.385186  352.2743 49.52881 336.3168 51.77160 15.95749       71.64776 
1 1 1 19 5  8  o 631.1120 21.87636 28.46205       1.950941  30.32429       2.773791  26.63888       2.744535  648.5796 30.30352 607.1322 32.05585 41.44739       44.11214 
1 1 1 19 5  10 o 408.8305 30.45031 12.12007       1.749141  12.37747       2.433790  11.84509       2.515552  408.5010 42.73021 398.3546 45.43269 10.14636       62.36987 
1 1 1 19 5  12 o 302.3940 38.77277 6.801792       1.621150  5.376440       2.243485  8.359318       2.345200  259.1797 61.99911 329.8870 51.94993 -70.70734      80.88686 
1 1 1 19 5  14 o 188.9606 55.70943 2.808403       1.591028  7.018907       2.286828  -1.141745      2.214997  298.4827 56.19852 122.8420 56.31005 175.6407       79.55561 
1 1 1 19 5  16 o 329.1336 36.74700 8.076671       1.682477  9.233270       2.439630  7.027665       2.323387  344.1836 51.68053 296.2932 57.48323 47.89041       77.29942 
1 1 1 19 5  18 o 259.3570 45.99134 5.251143       1.626278  2.476409       2.285148  8.098726       2.314951  181.3209 67.13289 318.9425 53.15722 -137.6216      85.63010 
1 1 1 19 5  20 o 123.2641 56.88725 -0.9986231     2.314565  -0.4244890     3.853260  -1.322714      2.895045  161.2272 74.04041 134.4095 62.57787 26.81779       96.94314 
1 1 1 19 5  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 5  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 5  26 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 6  1  o 561.2825 23.45971 22.51308       1.859368  23.46346       2.617736  21.54535       2.641512  570.4683 32.55981 545.9976 34.35974 24.47064       47.33638 
1 1 1 19 6  3  o 509.3324 25.34284 18.58237       1.821001  17.46978       2.565132  19.71274       2.585557  490.3501 37.24295 521.7344 35.22394 -31.38431      51.26171 
1 1 1 19 6  5  o 118.1205 51.52689 -0.1987838     1.622549  0.5867196      2.237946  -1.069237      2.355853  151.1827 63.01532 130.6201 59.17327 20.56259       86.44308 
1 1 1 19 6  7  f 158.4193 57.97520 1.597927       1.696034  2.055502       2.239589  0.9826445      2.597014  179.1563 66.43649 166.2205 68.45272 12.93582       95.39173 
1 1 1 19 6  9  o 96.81932 45.93421 -1.900799      1.694213  -1.630072      2.565475  -2.110182      2.256175  129.6549 59.85616 114.9237 54.06246 14.73127       80.65673 
1 1 1 19 6  11 o 195.0387 55.56042 2.971524       1.607522  1.820294       2.241345  4.191006       2.306828  172.1095 65.87771 228.3250 67.01825 -56.21545      93.97510 
1 1 1 19 6  13 o 356.2643 34.72480 9.349082       1.728587  12.31864       2.533198  6.761484       2.364675  404.3342 45.03329 291.5062 59.33958 112.8280       74.49284 
1 1 1 19 6  15 o 395.3885 30.68127 11.44049       1.703364  11.19975       2.467326  11.65970       2.354476  383.2467 46.43742 393.0752 43.02736 -9.828522      63.30709 
1 1 1 19 6  17 o 444.0575 27.71089 14.38150       1.732764  14.73250       2.534236  14.07334       2.374548  441.8280 40.99739 432.9234 39.18074 8.904572       56.70906 
1 1 1 19 6  19 f 160.1558 56.98691 1.956491       1.624692  4.797574       2.577205  0.8274886E-01  2.092965  231.4282 71.49731 132.0253 58.03124 99.40288       92.08414 
1 1 1 19 6  21 o 266.0175 73.67571 6.720445       2.868715  6.079623       3.933119  7.448861       4.193321  238.8636 88.13908 259.0843 91.61452 -20.22075      127.1287 
1 1 1 19 6  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 6  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 7  0  o 936.4626 25.47153 62.50899       3.370065  62.50899       3.370065  62.50899       3.370065  936.4626 25.47153 936.4626 25.47153 0.000000       0.000000 
1 1 1 19 7  2  o 283.7943 41.59975 5.969371       1.621172  3.243224       2.261455  8.851475       2.325241  207.8808 67.32881 344.0338 49.15373 -136.1530      83.36221 
1 1 1 19 7  4  o 652.9354 21.10482 30.42335       1.947604  31.14664       2.761863  29.70791       2.746855  657.9462 29.73829 642.3366 30.30257 15.60962       42.45717 
1 1 1 19 7  6  f 764.9166 20.11820 41.73573       2.175935  43.43097       3.025631  39.91968       3.131576  777.6067 27.53736 744.5311 29.78088 33.07556       40.56115 
1 1 1 19 7  8  o 422.3726 30.20374 12.92115       1.793495  15.86826       2.547136  10.02328       2.525769  464.8474 39.08033 364.1342 50.35978 100.7133       63.74464 
1 1 1 19 7  10 o 588.0196 23.30514 24.81384       1.935541  27.12827       2.677403  22.28019       2.801337  611.6112 31.03419 551.7472 36.07395 59.86401       47.58624 
1 1 1 19 7  12 f 146.5777 56.15932 1.258435       1.629882  -1.141168      2.413424  3.270552       2.209991  129.1327 59.03723 203.7568 66.59879 -74.62415      88.99884 
1 1 1 19 7  14 f 320.1805 35.65561 7.607938       1.588254  8.470102       2.305422  6.829095       2.191190  330.5839 50.90899 294.3101 54.61884 36.27380       74.66553 
1 1 1 19 7  16 o 395.2352 30.72456 11.46917       1.705056  12.20730       2.458663  10.78528       2.366597  400.3986 44.12023 375.3066 45.48434 25.09195       63.36734 
1 1 1 19 7  18 o 205.6268 53.80651 3.462830       1.583598  6.581069       2.272656  0.5199143      2.207842  281.9610 58.85827 142.3054 61.08470 139.6556       84.82710 
1 1 1 19 7  20 o 293.9369 59.49384 7.379251       2.389798  3.091510       4.006139  9.747972       2.977616  197.5677 83.45061 333.1354 65.49364 -135.5677      106.0822 
1 1 1 19 7  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 7  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 8  1  o 165.2806 56.68174 1.910726       1.598623  -0.1719641     2.277018  3.935097       2.244912  140.0457 61.06671 224.8551 66.14318 -84.80937      90.02258 
1 1 1 19 8  3  o 430.1967 31.39149 13.38889       1.898014  14.63686       2.463164  11.56485       2.977893  447.1946 39.32032 390.6466 55.41838 56.54803       67.95060 
1 1 1 19 8  5  o 290.1721 45.85107 6.325620       1.820413  5.144118       2.730406  7.271088       2.442494  253.3573 72.48738 306.5470 58.43349 -53.18967      93.10690 
1 1 1 19 8  7  o 655.6563 22.12909 30.76279       2.050392  35.56321       2.949539  26.27372       2.852289  701.8939 29.76114 601.4269 33.64540 100.4670       44.91924 
1 1 1 19 8  9  o 419.5545 29.95192 12.77655       1.766716  12.00391       2.502777  13.54395       2.494273  400.4021 44.94271 427.0922 41.80165 -26.69006      61.37772 
1 1 1 19 8  11 o 229.2974 51.83135 4.118801       1.642278  4.801606       2.295229  3.402512       2.350833  242.8554 65.35327 207.6560 68.72923 35.19936       94.84070 
1 1 1 19 8  13 o 116.7216 50.62536 -0.1151127E-01 1.547566  -1.878906      2.200713  1.815290       2.176662  113.9216 53.52926 168.8911 64.85081 -54.96948      84.08929 
1 1 1 19 8  15 o 296.9890 38.51540 6.639649       1.580715  7.073077       2.348570  6.280701       2.137276  296.2032 58.10322 279.9555 55.90348 16.24768       80.62991 
1 1 1 19 8  17 f 492.0424 25.95207 17.62663       1.800760  18.71994       2.599510  16.61793       2.496907  500.0066 36.99847 470.3810 37.82747 29.62567       52.91318 
1 1 1 19 8  19 o 202.0924 55.71638 3.445858       1.644784  0.6687956      2.548325  5.428844       2.153385  149.3609 64.87154 250.7086 61.22901 -101.3476      89.20375 
1 1 1 19 8  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 8  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 8  25 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 9  0  o 563.5913 33.56518 22.94492       2.655203  22.94492       2.655203  22.94492       2.655203  563.5913 33.56518 563.5913 33.56518 0.000000       0.000000 
1 1 1 19 9  2  o 143.8611 56.04807 1.059437       1.643435  -0.8044844     2.240261  3.231334       2.418268  129.7003 58.32489 207.5089 69.73170 -77.80859      90.90821 
1 1 1 19 9  4  o 474.8157 27.77668 16.24966       1.858337  19.09721       2.637094  13.44070       2.619168  511.5169 36.67221 425.6790 44.11596 85.83786       57.36784 
1 1 1 19 9  6  o 157.9597 57.31006 1.648045       1.652238  2.707006       2.358639  0.6277296      2.315201  193.7476 68.69054 152.2924 63.82970 41.45515       93.76897 
1 1 1 19 9  8  o 304.2057 40.89676 6.913029       1.716101  3.943801       2.416376  9.934718       2.437630  222.0845 69.33160 361.9182 48.83762 -139.8337      84.80556 
1 1 1 19 9  10 o 325.6151 37.08289 7.861779       1.678411  8.644519       2.440498  7.159310       2.311975  333.9691 53.43671 301.9925 56.16282 31.97656       77.52254 
1 1 1 19 9  12 o 261.9933 44.02528 5.244854       1.574511  3.318118       2.294923  6.958359       2.164211  204.0723 67.91883 298.0517 53.26333 -93.97943      86.31310 
1 1 1 19 9  14 o 131.4980 53.17465 0.7732495      1.532688  -1.570206      2.160691  3.146688       2.174470  115.2376 53.78818 197.8285 66.11861 -82.59085      85.23402 
1 1 1 19 9  16 o 325.6425 35.24325 7.933341       1.598336  9.796180       2.344632  6.316091       2.184619  354.6203 47.94593 278.1425 57.40369 76.47781       74.79302 
1 1 1 19 9  18 o 314.8101 38.63569 7.587590       1.685253  7.013154       2.547527  8.034583       2.247234  284.0994 64.80120 314.7932 52.27612 -30.69379      83.25856 
1 1 1 19 9  20 o 394.7457 54.39524 12.97132       2.958074  7.824489       3.958966  19.47636       4.450788  266.6407 89.21672 463.5012 70.03482 -196.8604      113.4218 
1 1 1 19 9  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 9  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 10 1  o 456.3871 33.28455 15.14890       2.135010  12.61300       3.549196  16.58688       2.672647  401.4905 64.66039 474.8129 40.14999 -73.32242      76.11168 
1 1 1 19 10 3  o 331.1313 36.72663 8.068721       1.692172  7.601192       2.356666  8.566316       2.431263  314.0699 55.02592 334.7145 53.09655 -20.64456      76.46631 
1 1 1 19 10 5  o 352.2018 35.29383 9.105686       1.735502  13.82560       2.525573  4.882893       2.388870  431.8008 41.85340 246.1834 66.85526 185.6174       78.87543 
1 1 1 19 10 7  o 340.7769 36.83802 8.577471       1.748379  9.797485       2.476899  7.365925       2.468286  358.4136 50.20716 305.7017 59.19203 52.71191       77.61737 
1 1 1 19 10 9  o 526.3140 25.19323 19.97732       1.871052  19.35995       2.663581  20.57871       2.628894  512.5845 36.96643 529.4655 35.28590 -16.88098      51.10393 
1 1 1 19 10 11 o 297.1475 40.50562 6.648433       1.659062  8.641818       2.455811  4.974886       2.250186  332.3411 54.07158 246.2590 63.99134 86.08211       83.77725 
1 1 1 19 10 13 o 286.0939 41.67866 6.224594       1.637928  6.521452       2.346729  5.942611       2.287179  282.9564 60.44012 269.2618 61.38910 13.69452       86.14888 
1 1 1 19 10 15 o 168.1796 54.45807 2.222155       1.479534  3.209202       2.163844  1.355532       2.027554  197.4991 65.95585 154.2207 61.57443 43.27834       90.23073 
1 1 1 19 10 17 o 235.6456 48.07978 4.456300       1.549040  3.100507       2.235733  5.708045       2.148232  191.8253 66.96934 259.8777 59.67223 -68.05244      89.69764 
1 1 1 19 10 19 o 135.0633 58.57413 0.4947040      2.071218  4.467867       3.073701  -2.809995      2.803235  214.3285 78.10741 117.7535 56.72213 96.57502       96.53065 
1 1 1 19 10 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 10 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 11 0  o 122.9777 75.07326 1.153345       2.472728  1.153345       2.472728  1.153345       2.472728  122.9777 75.07326 122.9777 75.07326 0.000000       0.000000 
1 1 1 19 11 2  o 182.8898 57.96704 2.551915       1.682970  0.9210668      2.300776  4.428736       2.468192  156.4559 64.43082 234.3064 69.46698 -77.85052      94.74699 
1 1 1 19 11 4  o 638.8834 21.64818 29.23931       1.954497  31.71108       2.736986  26.66719       2.791986  662.0557 29.28425 605.3593 32.71120 56.69647       43.90433 
1 1 1 19 11 6  o 250.1694 49.49088 4.842753       1.690105  4.270893       2.474602  5.342721       2.313829  229.0973 69.92833 257.0078 63.89004 -27.91054      94.72015 
1 1 1 19 11 8  o 364.9477 33.79559 9.794683       1.725638  10.18520       2.468537  9.421464       2.413244  364.9233 49.03905 350.2121 50.11834 14.71124       70.11902 
1 1 1 19 11 10 o 160.8714 55.42709 1.899868       1.529174  2.301843       2.290207  1.576485       2.054156  180.5960 67.14287 161.5189 62.73633 19.07712       91.89130 
1 1 1 19 11 12 o 533.9523 24.76488 20.62506       1.866268  22.32873       2.728442  19.12718       2.558363  549.5457 35.26874 508.1379 35.80554 41.40775       50.25854 
1 1 1 19 11 14 o 528.0731 25.03258 20.23498       1.865440  18.09390       2.805251  21.93234       2.497711  489.2721 40.88716 545.2366 32.51733 -55.96451      52.24114 
1 1 1 19 11 16 o 109.9498 48.68413 -0.1767097     1.498850  2.083371       2.158319  -2.281942      2.083070  169.0175 64.65801 103.8982 49.74564 65.11934       81.57995 
1 1 1 19 11 18 o 249.9342 50.13543 5.144000       1.711586  7.104073       2.538139  3.509300       2.317919  282.1819 64.91043 197.2925 68.22872 84.88934       94.17284 
1 1 1 19 11 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 11 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 11 24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 12 1  o 138.6025 55.05345 0.9250422      1.612659  0.4810557      2.282925  1.367259       2.278371  147.9650 62.76982 163.3331 65.25209 -15.36809      90.54218 
1 1 1 19 12 3  o 453.1797 30.56632 14.94466       1.948881  14.18912       2.635548  15.85625       2.894947  435.5386 43.33294 459.6197 45.08585 -24.08102      62.53381 
1 1 1 19 12 5  o 151.4045 57.58793 1.397328       1.705828  4.197497       2.618494  -0.6672222     2.248392  226.5173 72.36388 129.8485 58.40778 96.66882       92.99463 
1 1 1 19 12 7  f 180.2682 58.30450 2.514227       1.696216  4.167049       2.473595  1.047195       2.330426  224.9893 70.13373 157.4806 64.84789 67.50867       95.51957 
1 1 1 19 12 9  o 399.1538 30.64280 11.66093       1.717728  11.78654       2.499534  11.54852       2.364552  393.5522 45.72886 390.8036 43.48920 2.748627       63.10657 
1 1 1 19 12 11 o 339.2893 34.68885 8.552771       1.642219  10.10362       2.416791  7.222468       2.238356  361.3739 48.47836 301.3425 54.49195 60.03134       72.93507 
1 1 1 19 12 13 o 200.8924 53.56250 3.274843       1.550559  6.148748       2.260003  0.7189546      2.131296  272.6977 60.17611 144.6227 60.96591 128.0750       85.66216 
1 1 1 19 12 15 o 81.73994 39.50918 -1.962212      1.388510  -1.488707      2.000471  -2.402391      1.928788  109.1664 51.21281 97.76331 47.08214 11.40309       69.56637 
1 1 1 19 12 17 o 146.3127 56.34034 1.496261       1.646097  2.721768       2.398700  0.4054134      2.263080  180.5697 68.38001 138.3065 60.58096 42.26321       91.35578 
1 1 1 19 12 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 12 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 12 23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 13 0  f 134.6168 77.58102 1.866328       2.375865  1.866328       2.375865  1.866328       2.375865  134.6168 77.58102 134.6168 77.58102 0.000000       0.000000 
1 1 1 19 13 2  o 80.19414 39.48993 -3.160131      1.585091  -1.119190      2.280104  -5.068994      2.205093  125.0184 57.24179 89.59593 44.55185 35.42245       72.53613 
1 1 1 19 13 4  o 323.8782 36.29721 7.787113       1.635111  6.790673       2.431389  8.609849       2.209322  290.3315 61.11194 335.2501 47.92849 -44.91867      77.66472 
1 1 1 19 13 6  o 136.5060 54.31279 0.9234946      1.572129  1.910879       2.308883  0.7001201E-01  2.146625  172.7095 66.66737 136.5514 59.42124 36.15816       89.30521 
1 1 1 19 13 8  o 253.1925 47.24522 4.984030       1.630638  4.193858       2.424787  5.636406       2.203240  224.0050 69.37591 262.9045 60.47708 -38.89958      92.03529 
1 1 1 19 13 10 o 291.8817 40.46677 6.469509       1.626665  8.905186       2.400620  4.401807       2.211860  336.3752 52.11317 228.9773 65.15433 107.3979       83.43182 
1 1 1 19 13 12 o 147.6644 54.88025 1.488985       1.529804  1.446906       2.276936  1.523610       2.065433  160.2387 64.80629 157.9568 62.44324 2.281921       89.99452 
1 1 1 19 13 14 o 331.7622 34.09491 8.261752       1.578038  8.807209       2.303759  7.779592       2.165974  331.8888 50.65043 311.4467 50.89804 20.44208       71.80582 
1 1 1 19 13 16 o 205.4029 56.73059 3.628442       1.703500  3.926425       2.431523  3.341196       2.387310  206.7369 69.92330 193.6557 69.06033 13.08124       98.27816 
1 1 1 19 13 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 13 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 13 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 14 1  o 252.9953 47.86382 4.970298       1.650967  5.994286       2.347653  3.968399       2.322195  270.9929 62.49137 219.5282 67.87599 51.46471       92.26225 
1 1 1 19 14 3  o 194.0885 55.23480 3.004201       1.589519  3.012402       2.254989  2.996103       2.240915  195.8746 67.31477 195.4027 67.10608 0.4719391      95.05001 
1 1 1 19 14 5  o 199.6842 54.94658 3.196829       1.601385  6.283517       2.287926  0.2323754      2.242167  278.3284 59.86378 141.1081 61.07013 137.2203       85.51745 
1 1 1 19 14 7  f 110.2633 49.66796 -0.5423546     1.632362  1.502909       2.234873  -2.881280      2.389937  162.1354 64.67534 109.9015 52.79433 52.23393       83.48737 
1 1 1 19 14 9  o 145.3057 55.44733 1.337062       1.584604  4.253851       2.589728  -0.4085188     2.003418  222.7092 72.04338 123.9755 55.49931 98.73374       90.94186 
1 1 1 19 14 11 o 176.1900 54.87819 2.499982       1.514843  0.7247098      2.156021  4.230808       2.128860  144.6867 61.17230 222.9291 64.07738 -78.24234      88.58871 
1 1 1 19 14 13 o 138.6133 53.34937 1.232615       1.475452  1.519228       2.145487  0.9754411      2.032318  157.0416 63.12136 144.7807 60.17451 12.26094       87.20824 
1 1 1 19 14 15 o 234.7668 54.45872 4.665454       1.774236  4.751945       2.576871  4.587495       2.446498  224.3191 71.79959 221.8699 69.83442 2.449249       100.1600 
1 1 1 19 14 17 o 141.8466 55.77363 1.384295       1.639881  -2.864052      2.350293  5.414649       2.289199  104.4871 50.71666 241.6932 65.36546 -137.2061      82.73344 
1 1 1 19 14 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 14 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 15 0  o 147.6787 78.78603 2.500621       2.239376  2.500621       2.239376  2.500621       2.239376  147.6787 78.78603 147.6787 78.78603 0.000000       0.000000 
1 1 1 19 15 2  o 189.7715 56.97005 2.889495       1.652024  0.7567018      2.601142  4.331440       2.138770  157.0544 66.82796 228.3591 63.75443 -71.30470      92.36127 
1 1 1 19 15 4  o 321.1317 36.48595 7.712566       1.628806  7.184021       2.374156  8.182547       2.238762  297.9744 58.38925 323.3338 50.58230 -25.35944      77.25201 
1 1 1 19 15 6  o 151.3453 55.56652 1.588084       1.560008  1.084226       2.248161  2.055992       2.166474  154.0099 63.58331 171.4462 64.97184 -17.43628      90.90752 
1 1 1 19 15 8  o 192.3530 53.53484 3.001212       1.510595  5.553195       2.166610  0.5871872      2.107234  258.4995 60.32980 141.6774 60.21230 116.8221       85.23618 
1 1 1 19 15 10 o 111.0588 48.82692 -0.9926705E-01 1.482486  0.2566944      2.152682  -0.4203801     2.044595  136.6306 59.47972 123.9407 55.72852 12.68990       81.50771 
1 1 1 19 15 12 o 275.3899 40.29110 5.869948       1.523822  5.930440       2.221754  5.816216       2.093939  263.2673 60.85103 262.8272 57.86500 0.4401550      83.97146 
1 1 1 19 15 14 o 88.28002 42.74876 -2.214727      1.644422  -3.009191      2.351189  -1.453977      2.300760  104.2487 50.63001 116.3060 54.67561 -12.05723      74.51725 
1 1 1 19 15 16 o 112.5831 50.13079 -0.7774913E-01 1.611763  -1.971728      2.229991  1.993821       2.332197  108.3029 51.75027 162.6039 65.65060 -54.30096      83.59481 
1 1 1 19 15 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 15 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 16 1  o 487.7966 25.90910 17.29515       1.782175  16.37046       2.575709  18.14444       2.468462  466.5632 39.37638 493.9905 35.54690 -27.42728      53.04792 
1 1 1 19 16 3  o 132.7881 53.43344 0.8594087      1.539311  -0.2078660     2.190293  1.900999       2.163778  131.9624 58.61853 167.6872 64.58862 -35.72484      87.22283 
1 1 1 19 16 5  o 191.8061 53.66259 2.987938       1.513548  3.189198       2.127756  2.781792       2.153435  196.4216 65.39907 186.6317 65.68237 9.789871       92.68879 
1 1 1 19 16 7  o 119.3527 50.42265 0.3640631      1.463014  1.015975       2.108556  -0.2411414     2.031617  148.4454 61.45925 126.2763 56.25198 22.16911       83.31581 
1 1 1 19 16 9  o 137.2329 53.24519 1.166219       1.478401  2.525025       2.173750  -0.3254029E-02 2.016630  178.6569 65.59281 128.5389 56.71284 50.11795       86.71080 
1 1 1 19 16 11 o 170.2621 57.14980 2.383970       1.624360  0.2575166      2.152639  5.195942       2.475419  134.5541 59.00667 238.6514 69.24841 -104.0973      90.97873 
1 1 1 19 16 13 o 86.02981 41.85258 -2.364446      1.625069  -2.715337      2.376440  -2.056243      2.227202  106.8621 51.66072 108.1857 51.70070 -1.323540      73.08756 
1 1 1 19 16 15 o 127.7483 53.76167 0.7321050      1.652901  4.622008       2.412938  -2.707021      2.268824  218.1698 69.43989 103.0339 49.96882 115.1358       85.54987 
1 1 1 19 16 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 16 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 17 0  o 81.42287 55.84663 -1.121237      2.067750  -1.121237      2.067750  -1.121237      2.067750  81.42287 55.84663 81.42287 55.84663 0.000000       0.000000 
1 1 1 19 17 2  o 152.3629 54.76500 1.697106       1.504399  2.743976       2.143891  0.6815734      2.111560  184.8640 65.49390 142.6873 60.44238 42.17661       89.12202 
1 1 1 19 17 4  o 296.7319 37.40062 6.679187       1.535773  7.848556       2.200828  5.569317       2.144106  313.3447 51.41135 257.6559 59.93499 55.68878       78.96411 
1 1 1 19 17 6  o 91.61105 43.13295 -1.280537      1.441665  -1.289448      2.109522  -1.272728      1.974785  114.7107 53.41032 110.7119 51.59134 3.998795       74.25852 
1 1 1 19 17 8  f 101.6314 46.31161 -0.6007114     1.469433  -1.147120      2.131548  -0.1058733     2.028467  116.2994 53.99282 126.6201 56.31875 -10.32076      78.01939 
1 1 1 19 17 10 o 151.4920 57.12114 1.697104       1.669669  1.382459       2.402398  1.991088       2.322181  156.0167 65.17944 165.6384 65.97482 -9.621628      92.74177 
1 1 1 19 17 12 o 191.9312 57.62099 3.247991       1.689963  1.379404       2.436031  4.981638       2.346424  153.9580 65.05437 229.6132 67.64321 -75.65520      93.84922 
1 1 1 19 17 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 17 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 17 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 17 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 18 1  o 289.7025 38.35742 6.422976       1.534007  7.272728       2.243225  5.676539       2.102438  297.3586 55.34164 259.6686 58.60687 37.68994       80.60684 
1 1 1 19 18 3  o 151.4525 55.10638 1.700433       1.529108  -0.1278250     2.188304  3.444883       2.137559  130.7903 58.31424 199.5423 65.51442 -68.75204      87.70798 
1 1 1 19 18 5  o 134.0893 52.83125 1.075883       1.474060  0.4837987      2.092041  1.659658       2.077309  136.9159 59.12238 157.7021 62.53363 -20.78625      86.05761 
1 1 1 19 18 7  o 159.4832 54.29291 2.053911       1.466169  3.743295       2.179773  0.6580892      1.981354  204.3022 66.09615 136.2832 58.16798 68.01897       88.04667 
1 1 1 19 18 9  o 184.8773 58.51003 2.983823       1.715209  3.100364       2.575708  2.890966       2.299130  186.7524 70.82671 181.8154 67.33392 4.937088       97.72553 
1 1 1 19 18 11 o 153.8262 56.62315 1.913985       1.621600  -1.304444      2.337910  4.897921       2.251130  117.1149 55.07445 227.6049 66.03490 -110.4900      85.98722 
1 1 1 19 18 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 18 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 18 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 18 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 19 0  o 261.0455 66.06722 6.069074       2.110406  6.069074       2.110406  6.069074       2.110406  261.0455 66.06722 261.0455 66.06722 0.000000       0.000000 
1 1 1 19 19 2  f 155.3680 53.86962 1.921976       1.445349  5.299032       2.157892  -0.8257846     1.946480  245.2050 62.12193 113.6577 52.35102 131.5472       81.23893 
1 1 1 19 19 4  o 233.1149 48.08938 4.450662       1.533819  2.812044       2.196170  6.011044       2.143100  180.9708 66.01189 263.4797 58.95072 -82.50897      88.50286 
1 1 1 19 19 6  f 105.5551 48.54309 -0.7048624     1.664481  -2.964332      2.412711  1.347090       2.299248  105.8411 51.37661 152.1568 63.67993 -46.31575      81.82108 
1 1 1 19 19 8  o 134.8563 54.99158 1.078877       1.655315  -2.661240      2.374820  4.613096       2.308526  106.3223 51.45848 219.6081 67.63676 -113.2859      84.98650 
1 1 1 19 19 10 o 129.5687 53.84039 0.8916147      1.626482  -1.251905      2.425735  2.642464       2.192321  119.0571 56.02256 172.4636 65.35806 -53.40651      86.08253 
1 1 1 19 19 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 19 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 19 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 19 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 20 1  o 99.64183 45.65766 -0.5907758     1.454345  0.4816532      2.053606  -1.669807      2.059918  132.8832 57.96768 106.4042 50.53023 26.47903       76.89965 
1 1 1 19 20 3  o 83.44737 40.24021 -1.782782      1.419940  -3.802836      2.162912  -0.2527482     1.882383  92.33645 45.59392 117.5921 53.11904 -25.25567      70.00313 
1 1 1 19 20 5  o 131.8681 54.42897 0.9644661      1.646881  2.265189       2.391309  -0.2090771     2.271397  166.7820 66.77554 127.2359 57.82292 39.54606       88.33154 
1 1 1 19 20 7  o 126.2673 52.98215 0.7668694      1.597944  -0.6019635     2.291445  2.062690       2.229496  122.4294 56.53778 160.6962 64.42970 -38.26681      85.71876 
1 1 1 19 20 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 20 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 20 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 20 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 21 0  o 61.63416 44.46827 -3.168317      1.970518  -3.168317      1.970518  -3.168317      1.970518  61.63416 44.46827 61.63416 44.46827 0.000000       0.000000 
1 1 1 19 21 2  o 117.1516 51.36925 0.2455231      1.631043  -0.5694947     2.352519  0.9999273      2.263350  123.7777 57.20502 142.4170 61.49662 -18.63923      83.98958 
1 1 1 19 21 4  o 117.2332 51.47051 0.2451328      1.642189  0.9028986      2.358076  -0.3742861     2.288307  142.1377 62.05850 124.2722 57.06506 17.86552       84.30704 
1 1 1 19 21 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 21 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 21 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 21 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 21 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 22 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 23 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 24 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 24 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 24 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 24 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 24 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 25 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 25 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 25 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 19 25 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 0  0  o 510.0278 53.98620 19.25482       3.787096  19.25482       3.787096  19.25482       3.787096  510.0278 53.98620 510.0278 53.98620 0.000000       0.000000 
1 1 1 20 0  2  o 127.4100 73.71465 1.561880       2.157753  1.561880       2.157753  1.561880       2.157753  127.4100 73.71465 127.4100 73.71465 0.000000       0.000000 
1 1 1 20 0  4  o 109.5326 69.00257 0.5471275      2.257874  0.5471275      2.257874  0.5471275      2.257874  109.5326 69.00257 109.5326 69.00257 0.000000       0.000000 
1 1 1 20 0  6  o 366.9640 47.83374 10.21662       2.367584  10.21662       2.367584  10.21662       2.367584  366.9640 47.83374 366.9640 47.83374 0.000000       0.000000 
1 1 1 20 0  8  f 848.6105 27.14820 51.55527       3.252823  51.55527       3.252823  51.55527       3.252823  848.6105 27.14820 848.6105 27.14820 0.000000       0.000000 
1 1 1 20 0  10 o 128.7762 74.78423 1.643682       2.233857  1.643682       2.233857  1.643682       2.233857  128.7762 74.78423 128.7762 74.78423 0.000000       0.000000 
1 1 1 20 0  12 o 238.5274 77.11294 5.377222       2.299667  5.377222       2.299667  5.377222       2.299667  238.5274 77.11294 238.5274 77.11294 0.000000       0.000000 
1 1 1 20 0  14 o 95.90145 62.90639 -0.9557000E-01 2.136755  -0.9557000E-01 2.136755  -0.9557000E-01 2.136755  95.90145 62.90639 95.90145 62.90639 0.000000       0.000000 
1 1 1 20 0  16 o 298.5482 64.40092 7.496704       2.387146  7.496704       2.387146  7.496704       2.387146  298.5482 64.40092 298.5482 64.40092 0.000000       0.000000 
1 1 1 20 0  18 o 208.2395 92.20020 5.090654       2.861699  5.090654       2.861699  5.090654       2.861699  208.2395 92.20020 208.2395 92.20020 0.000000       0.000000 
1 1 1 20 0  20 o 381.6111 59.66998 11.88914       2.987603  11.88914       2.987603  11.88914       2.987603  381.6111 59.66998 381.6111 59.66998 0.000000       0.000000 
1 1 1 20 0  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 0  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 1  1  o 497.3339 26.46091 17.78143       1.855695  20.18328       2.619160  15.36045       2.629570  526.7939 35.33627 457.0150 41.09533 69.77887       54.19850 
1 1 1 20 1  3  o 167.8299 57.87410 1.989235       1.667300  3.070283       2.371042  0.9317945      2.345011  203.0500 69.04449 158.8536 65.19295 44.19640       94.95927 
1 1 1 20 1  5  o 159.3347 56.84795 1.716878       1.617826  -0.3250249E-01 2.277163  3.499805       2.298893  141.0905 61.30090 212.2704 67.80312 -71.17987      91.40603 
1 1 1 20 1  7  o 511.3419 25.20615 18.81070       1.818432  19.25067       2.531771  18.34187       2.613478  513.4136 35.05504 500.1214 37.19148 13.29227       51.10834 
1 1 1 20 1  9  o 740.1791 20.12268 39.18545       2.105908  41.19690       2.997548  37.22510       2.959228  755.1531 28.09761 717.1786 29.21740 37.97443       40.53556 
1 1 1 20 1  11 o 396.1306 30.71031 11.45108       1.708202  13.87717       2.435408  9.101733       2.396585  431.7712 40.32273 343.8980 50.76742 87.87320       64.83250 
1 1 1 20 1  13 o 615.3079 22.16257 27.22461       1.926737  27.75075       2.776008  26.73556       2.676359  615.9807 31.95370 604.9373 31.36897 11.04333       44.77780 
1 1 1 20 1  15 o 89.51012 42.77533 -1.823377      1.524489  -1.819948      2.119264  -1.827055      2.194614  110.9749 52.26426 113.3086 53.30803 -2.333672      74.65453 
1 1 1 20 1  17 o 762.5946 20.30142 41.88732       2.189039  41.26385       3.135989  42.47980       3.057058  749.5023 29.62362 761.5956 28.41329 -12.09332      41.04721 
1 1 1 20 1  19 o 344.4198 44.60376 9.355383       2.123091  8.306775       2.969103  10.45254       3.037059  301.6986 70.76966 346.5675 64.28861 -44.86887      95.61052 
1 1 1 20 1  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 1  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 2  0  o 87.64055 59.65377 -1.143918      2.263078  -1.143918      2.263078  -1.143918      2.263078  87.64055 59.65377 87.64055 59.65377 0.000000       0.000000 
1 1 1 20 2  2  o 408.9272 30.57839 12.11111       1.756808  11.38031       2.511794  12.81099       2.458081  390.5752 46.34453 416.3949 42.29938 -25.81970      62.74594 
1 1 1 20 2  4  o 137.4679 54.77069 0.8459394      1.600898  -0.3968319     2.237120  2.150316       2.291897  134.7462 59.57949 181.1199 67.19978 -46.37373      89.80828 
1 1 1 20 2  6  o 391.2120 31.85732 11.13790       1.748513  12.24734       2.401759  9.886806       2.550478  406.1764 42.40655 360.5315 51.44447 45.64490       66.66970 
1 1 1 20 2  8  o 286.4191 41.20943 6.146832       1.622374  5.376830       2.295296  6.915609       2.293470  258.8472 63.21296 297.4744 56.54465 -38.62720      84.81259 
1 1 1 20 2  10 o 138.7847 54.57177 0.9914675      1.570019  0.6949754      2.238760  1.278400       2.202372  150.0537 62.82079 159.6855 64.03242 -9.631836      89.70286 
1 1 1 20 2  12 o 245.2019 48.33448 4.671729       1.617608  6.451334       2.323852  2.998875       2.253075  283.3784 59.82668 196.2870 67.29192 87.09146       90.04129 
1 1 1 20 2  14 o 198.5758 54.74895 3.166144       1.588127  4.817687       2.299596  1.660198       2.195894  240.0921 65.75641 164.8527 64.62369 75.23935       92.19614 
1 1 1 20 2  16 o 318.1809 40.54943 7.708735       1.784478  6.112504       2.331060  9.968356       2.773470  270.3621 62.21659 350.6699 57.90559 -80.30774      84.99389 
1 1 1 20 2  18 o 292.9888 57.57343 7.171365       2.302047  7.110859       3.153569  7.240387       3.368191  274.1435 77.72788 273.2672 81.18274 0.8762207      112.3933 
1 1 1 20 2  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 2  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 2  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 3  1  o 784.5170 20.10554 43.92558       2.230386  41.65416       3.096915  46.37333       3.214874  760.5249 28.82590 802.7363 28.34349 -42.21143      40.42630 
1 1 1 20 3  3  o 279.2912 43.75256 5.853601       1.672599  7.616364       2.420959  4.243823       2.313522  314.1003 56.54171 231.2481 66.89989 82.85226       87.59315 
1 1 1 20 3  5  o 173.0620 56.94726 2.217878       1.614712  0.8972280      2.305514  3.489369       2.262197  156.6298 64.49924 211.5145 67.22598 -54.88470      93.16375 
1 1 1 20 3  7  o 419.9460 30.03179 12.80193       1.773038  13.09824       2.518714  12.51086       2.496345  419.3588 43.05041 409.4264 43.76111 9.932373       61.38707 
1 1 1 20 3  9  o 669.3989 20.69125 32.08315       1.957806  31.13063       2.769962  33.03400       2.767552  655.1898 29.95279 675.4587 29.01961 -20.26898      41.70500 
1 1 1 20 3  11 o 214.7798 52.36429 3.640733       1.577045  4.356593       2.228245  2.922255       2.232318  230.8392 65.29828 194.7681 66.97403 36.07112       93.53815 
1 1 1 20 3  13 o 564.2722 23.34356 22.95102       1.860102  23.35556       2.634752  22.54902       2.626431  564.0310 33.15403 553.8654 33.66650 10.16565       47.25064 
1 1 1 20 3  15 o 141.2821 54.66167 1.192028       1.554798  -0.6883639     2.160008  3.213904       2.239796  125.0537 56.65509 198.5320 67.11011 -73.47823      87.82690 
1 1 1 20 3  17 o 401.5379 32.74812 12.00385       1.844795  9.364820       2.729267  14.22386       2.503233  336.0117 59.57581 431.0234 41.55188 -95.01178      72.63495 
1 1 1 20 3  19 o 248.3255 60.88351 5.376543       2.122902  1.828306       2.918375  9.364097       3.093771  170.4950 71.57452 321.1475 70.04783 -150.6525      100.1479 
1 1 1 20 3  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 3  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 4  0  o 240.7437 77.91565 5.405012       2.345826  5.405012       2.345826  5.405012       2.345826  240.7437 77.91565 240.7437 77.91565 0.000000       0.000000 
1 1 1 20 4  2  o 331.2536 37.63977 8.083950       1.733271  6.348864       2.462307  9.788119       2.440271  283.3459 63.03228 360.2487 49.14481 -76.90286      79.92673 
1 1 1 20 4  4  o 279.7342 43.46650 5.879895       1.664917  4.304146       2.330738  7.521719       2.379102  232.1573 67.14397 311.8193 55.96925 -79.66202      87.41207 
1 1 1 20 4  6  o 137.9435 54.11928 0.9610929      1.541108  2.202614       2.142027  -0.3711602     2.218919  178.9726 65.20679 133.9005 59.26478 45.07219       88.11493 
1 1 1 20 4  8  o 413.9524 29.66647 12.45138       1.726422  11.87652       2.437016  13.03051       2.446066  398.0910 43.98988 418.2220 41.89102 -20.13098      60.74510 
1 1 1 20 4  10 o 236.5685 48.68983 4.345394       1.575728  2.738971       2.203843  6.025515       2.253830  190.5055 66.49125 274.4259 59.73259 -83.92044      89.38159 
1 1 1 20 4  12 o 103.9738 47.80252 -0.9613324     1.612516  -1.244446      2.165325  -0.6088408     2.416115  119.5354 55.11493 134.6708 60.56455 -15.13541      81.88846 
1 1 1 20 4  14 f 495.9156 27.76280 17.90795       1.940678  15.03319       2.902618  20.23186       2.609750  442.6912 47.05057 522.6194 35.49593 -79.92816      58.93824 
1 1 1 20 4  16 o 387.1137 31.63198 11.09066       1.717849  9.804037       2.433696  12.36824       2.425138  352.4918 50.20369 401.4915 43.36903 -48.99976      66.34217 
1 1 1 20 4  18 o 365.1312 44.66424 10.46871       2.259968  9.577313       3.152153  11.41159       3.241890  326.5675 70.28821 362.2160 65.65986 -35.64856      96.18549 
1 1 1 20 4  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 4  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 4  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 5  1  o 221.3896 53.33690 3.813522       1.651203  4.646536       2.335983  2.981691       2.334326  241.0115 66.38087 199.8570 68.49517 41.15451       95.38348 
1 1 1 20 5  3  o 411.7945 31.34493 12.32296       1.812978  15.09598       2.606534  9.724075       2.523364  451.9002 41.20985 357.5522 51.33834 94.34802       65.83219 
1 1 1 20 5  5  o 310.3616 39.59650 7.162650       1.699628  6.831113       2.371172  7.512986       2.437472  294.8633 58.88540 310.1770 57.64926 -15.31369      82.40709 
1 1 1 20 5  7  o 288.8071 41.67119 6.264628       1.653987  5.172200       2.340697  7.354062       2.337487  252.7187 65.06099 306.9083 55.87502 -54.18967      85.76100 
1 1 1 20 5  9  o 342.4317 35.09089 8.651182       1.676518  9.495191       2.442041  7.898764       2.305734  351.6462 50.51978 319.0172 52.92499 32.62903       73.16627 
1 1 1 20 5  11 o 257.8171 45.34375 5.106398       1.594059  5.320049       2.341325  4.921789       2.176382  254.2732 64.86501 245.5204 62.48832 8.752731       90.06808 
1 1 1 20 5  13 o 302.1251 38.54440 6.865298       1.610563  7.342874       2.357935  6.447626       2.205099  302.6772 57.14092 283.2743 56.98115 19.40295       80.69656 
1 1 1 20 5  15 o 236.8438 48.97479 4.453586       1.587313  4.561967       2.286937  4.352839       2.204908  231.1497 66.40555 226.4072 65.25355 4.742493       93.10061 
1 1 1 20 5  17 o 149.6364 57.95989 1.488808       1.749574  0.1423025      2.486466  2.809219       2.462255  141.7230 62.73112 186.0031 69.52728 -44.28009      93.64420 
1 1 1 20 5  19 o 385.3189 40.69253 11.54533       2.185508  12.12667       3.112254  10.97977       3.069736  375.9716 60.54845 354.4265 63.53439 21.54504       87.76522 
1 1 1 20 5  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 5  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 6  0  o 336.2899 51.41122 8.746958       2.277215  8.746958       2.277215  8.746958       2.277215  336.2899 51.41122 336.2899 51.41122 0.000000       0.000000 
1 1 1 20 6  2  o 262.1245 49.83224 5.277596       1.781029  6.457602       2.336987  3.642678       2.750821  286.3970 59.60110 217.1372 74.35690 69.25977       95.29554 
1 1 1 20 6  4  o 179.3496 57.82074 2.437558       1.669039  0.5888421E-01  2.363639  4.803148       2.357129  144.1002 62.53242 243.8347 66.48958 -99.73444      91.27523 
1 1 1 20 6  6  o 215.4557 53.41837 3.647085       1.620673  6.345509       2.347944  1.191441       2.239831  282.3511 60.57468 159.2805 64.32722 123.0706       88.35883 
1 1 1 20 6  8  f 289.2998 42.52890 6.318890       1.689286  8.590970       2.338951  3.841322       2.442429  333.9493 51.11403 218.1251 69.91016 115.8242       86.60297 
1 1 1 20 6  10 o 511.7092 26.79985 18.96249       1.934011  19.36066       2.977059  18.67175       2.543936  508.9536 41.69754 503.1967 35.96008 5.756897       55.06190 
1 1 1 20 6  12 o 132.4829 52.79028 0.8646219      1.487378  -2.108090      2.132698  3.679783       2.075413  108.9295 51.63790 211.7329 63.91946 -102.8034      82.17159 
1 1 1 20 6  14 o 350.2602 33.14460 9.096629       1.623402  13.18938       2.399907  5.644080       2.204230  417.4522 41.15741 261.1606 60.78284 156.2916       73.40631 
1 1 1 20 6  16 o 505.6050 25.29739 18.63331       1.804368  19.42497       2.624719  17.92393       2.484569  508.1758 36.74447 488.4883 36.19711 19.68747       51.57894 
1 1 1 20 6  18 o 181.5860 63.15558 2.814422       1.987328  3.790860       2.798557  1.821127       2.822611  203.3445 74.46287 169.1213 70.65191 34.22318       102.6470 
1 1 1 20 6  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 6  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 7  1  o 235.7070 49.72365 4.296296       1.606397  5.395905       2.323839  3.289971       2.223085  259.2201 63.78703 205.4577 66.77146 53.76239       92.34291 
1 1 1 20 7  3  o 76.11316 37.83335 -3.746775      1.584250  -1.880068      2.265628  -5.532806      2.216129  116.9072 54.73401 87.71583 43.78348 29.19135       70.09141 
1 1 1 20 7  5  o 253.3860 46.85458 4.924145       1.618303  5.618079       2.335091  4.282823       2.244828  263.9258 63.32806 229.9926 65.70200 33.93318       91.25346 
1 1 1 20 7  7  o 276.8743 44.14119 5.825562       1.671573  3.807347       2.322377  7.995086       2.407861  217.0774 67.99969 319.7790 55.20066 -102.7015      87.58465 
1 1 1 20 7  9  o 260.7289 44.75083 5.205842       1.591794  2.401125       2.311921  7.733831       2.194907  183.3625 67.58987 315.9261 50.81497 -132.5636      84.56093 
1 1 1 20 7  11 o 147.6051 55.42453 1.401998       1.568375  1.579198       2.176543  1.210617       2.261956  163.1977 64.22873 157.8687 64.31794 5.329010       90.89624 
1 1 1 20 7  13 o 176.3459 55.29788 2.467468       1.535403  -1.568976      2.138021  6.766093       2.206365  114.0829 53.33318 290.1017 55.76657 -176.0188      77.16436 
1 1 1 20 7  15 o 372.9269 30.79698 10.28692       1.610892  10.54484       2.373885  10.06678       2.193127  367.7232 46.66565 361.1436 43.80505 6.579529       64.00442 
1 1 1 20 7  17 o 386.6435 35.10434 11.31266       1.899925  9.648478       2.688850  12.97202       2.684952  338.7774 58.17835 403.4297 47.96508 -64.65225      75.40139 
1 1 1 20 7  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 7  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 7  23 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 8  0  f 381.5322 47.63250 11.04044       2.463711  11.04044       2.463711  11.04044       2.463711  381.5322 47.63250 381.5322 47.63250 0.000000       0.000000 
1 1 1 20 8  2  o 372.7831 32.68379 10.16976       1.706855  12.40970       2.482783  8.162374       2.350371  407.0141 43.79134 325.0043 52.91987 82.00977       68.68911 
1 1 1 20 8  4  o 287.6922 45.45238 6.296272       1.789173  6.210948       2.419421  6.399246       2.657906  277.5502 63.03736 279.3975 67.89536 -1.847290      92.64712 
1 1 1 20 8  6  f 664.1883 22.83852 31.69762       2.143544  31.85279       3.375202  31.59273       2.775025  658.2041 36.37572 659.5796 29.80599 -1.375488      47.02754 
1 1 1 20 8  8  o 416.6570 29.98423 12.66568       1.756213  13.11809       2.445697  12.18405       2.523448  418.2367 41.88295 401.0818 45.24593 17.15494       61.65530 
1 1 1 20 8  10 o 218.5251 52.11569 3.798808       1.589005  5.320239       2.257449  2.304717       2.237075  254.0646 63.07694 179.2507 66.41257 74.81392       91.59328 
1 1 1 20 8  12 o 129.9374 53.26794 0.6812600      1.563418  2.209541       2.242450  -0.7642102     2.180849  176.0245 66.23541 124.8308 56.70190 51.19377       87.19080 
1 1 1 20 8  14 o 310.3404 37.73252 7.290351       1.623181  7.231841       2.315196  7.346914       2.276346  297.3795 57.08706 300.8710 55.50554 -3.491516      79.62284 
1 1 1 20 8  16 o 174.8831 58.56789 2.526623       1.706069  2.346807       2.456459  2.694186       2.371285  175.7708 68.51106 182.0072 68.19048 -6.236404      96.66285 
1 1 1 20 8  18 o 229.9220 64.55688 4.796076       2.186334  5.714567       2.649032  2.833708       3.872043  244.9216 71.79755 190.3736 81.28679 54.54807       108.4547 
1 1 1 20 8  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 8  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 9  1  o 531.2803 24.98476 20.34780       1.873271  19.19765       2.698416  21.41770       2.602591  510.0831 37.64604 540.8187 34.17918 -30.73560      50.84723 
1 1 1 20 9  3  o 208.5321 55.15824 3.449118       1.652605  5.261745       2.319655  1.580803       2.355018  254.0722 64.43005 168.1477 66.61221 85.92455       92.67372 
1 1 1 20 9  5  o 175.3550 58.00628 2.342113       1.674583  4.468831       2.474291  0.5446436      2.274713  232.5385 69.70090 147.8851 62.69302 84.65331       93.74769 
1 1 1 20 9  7  o 330.1945 37.17442 8.119130       1.706986  7.789462       2.502046  8.406178       2.334717  312.3588 58.75666 328.7068 51.90983 -16.34802      78.40265 
1 1 1 20 9  9  o 314.1010 37.58333 7.384765       1.637522  3.650568       2.286280  11.31829       2.346507  210.8081 67.64582 386.3047 43.68695 -175.4966      80.52644 
1 1 1 20 9  11 o 277.5031 43.28737 5.914804       1.644539  4.449687       2.340138  7.344384       2.311584  229.2015 67.56062 302.4739 56.06503 -73.27242      87.79365 
1 1 1 20 9  13 o 117.9252 50.42978 0.2341814      1.494430  -0.7532248     2.234811  1.032860       2.009920  125.5246 57.16593 146.9259 60.33305 -21.40127      83.11449 
1 1 1 20 9  15 o 193.4032 53.57528 3.110242       1.516770  6.329763       2.292562  0.6039252      2.022756  272.1373 61.03491 137.6309 58.75873 134.5064       84.72218 
1 1 1 20 9  17 o 245.7793 62.02132 5.360076       2.156957  4.295689       3.041226  6.437403       3.059654  210.8510 77.55568 254.5650 77.76713 -43.71393      109.8299 
1 1 1 20 9  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 9  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 10 0  o 375.1620 55.35353 10.96713       2.751423  10.96713       2.751423  10.96713       2.751423  375.1620 55.35353 375.1620 55.35353 0.000000       0.000000 
1 1 1 20 10 2  o 489.4301 27.65243 17.37102       1.907539  14.68723       2.862612  19.51454       2.558301  440.1241 46.66904 514.9864 35.31613 -74.86224      58.52545 
1 1 1 20 10 4  o 365.3981 32.90715 9.817479       1.683462  13.56926       2.410692  6.246328       2.351943  426.1800 40.45395 277.7334 61.46574 148.4466       73.58369 
1 1 1 20 10 6  o 447.1660 28.65192 14.55930       1.803646  12.46952       2.604818  16.48412       2.499897  404.5938 46.32674 471.1335 37.81091 -66.53967      59.79826 
1 1 1 20 10 8  o 190.6176 55.64400 2.910264       1.594041  2.433455       2.324154  3.333777       2.190415  182.6322 67.68774 202.5311 66.30956 -19.89894      94.75541 
1 1 1 20 10 10 o 189.0382 56.00209 2.883992       1.604604  5.054954       2.308802  0.8556655      2.231668  244.7743 65.40362 149.8415 62.72585 94.93274       90.62099 
1 1 1 20 10 12 o 157.2905 56.17058 1.833660       1.579865  2.348315       2.289917  1.366160       2.182487  177.6697 66.91582 156.6065 63.40796 21.06322       92.18621 
1 1 1 20 10 14 o 168.6138 55.16804 2.306989       1.516289  1.976764       2.167877  2.623263       2.121586  166.0329 64.46067 179.6669 64.97592 -13.63399      91.52622 
1 1 1 20 10 16 o 284.4187 54.48009 6.791836       2.113070  8.577345       3.084954  5.213727       2.900255  301.9952 72.99746 230.6364 76.33955 71.35876       105.6236 
1 1 1 20 10 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 10 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 10 22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 11 1  o 229.7343 51.18865 4.163879       1.621650  6.945108       2.352399  1.645337       2.238552  294.4765 58.50946 166.1565 65.21447 128.3200       87.61441 
1 1 1 20 11 3  o 119.0737 51.57550 0.2987633E-01  1.601780  -1.881243      2.263941  1.945455       2.266581  115.6231 54.31744 172.4421 66.18633 -56.81896      85.62135 
1 1 1 20 11 5  o 124.6476 52.71785 0.3384137      1.602146  -0.3755113     2.255485  1.065519       2.276210  132.7403 59.19189 155.5255 64.07071 -22.78520      87.22807 
1 1 1 20 11 7  o 221.2563 53.61287 3.933444       1.660929  5.391173       2.337950  2.448063       2.360021  253.9177 64.84164 182.9016 68.12791 71.01604       94.05239 
1 1 1 20 11 9  o 132.8883 53.32911 0.8679416      1.528897  1.052174       2.156830  0.6818677      2.167584  151.4034 62.36978 145.2149 61.36294 6.188477       87.49515 
1 1 1 20 11 11 o 279.4623 43.12798 6.044668       1.650871  4.544024       2.468603  7.258759       2.220434  228.0014 69.89149 299.7584 54.34207 -71.75691      88.53181 
1 1 1 20 11 13 o 377.2062 31.81471 10.60701       1.682529  13.24687       2.468878  8.317748       2.299096  413.7126 42.78445 320.1931 52.55908 93.51950       67.77142 
1 1 1 20 11 15 o 329.3747 47.64008 8.744897       2.156237  9.555201       3.054183  7.939670       3.044599  324.4307 68.66415 288.8248 74.12124 35.60596       101.0382 
1 1 1 20 11 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 11 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 11 21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 12 0  o 289.5285 63.76992 7.024935       2.286110  7.024935       2.286110  7.024935       2.286110  289.5285 63.76992 289.5285 63.76992 0.000000       0.000000 
1 1 1 20 12 2  o 124.6215 52.84494 0.3205693      1.616925  1.111094       2.263973  -0.5024828     2.310080  155.8076 64.01211 132.4012 59.40841 23.40646       87.33218 
1 1 1 20 12 4  o 248.0884 49.60198 4.847676       1.680598  6.630416       2.580731  3.534979       2.214527  281.5555 65.93443 207.1644 66.58547 74.39108       93.70686 
1 1 1 20 12 6  o 125.8687 52.28362 0.5332075      1.532982  0.8947841      2.146595  0.1568665      2.189984  148.6568 61.81917 137.6982 59.96801 10.95860       86.12649 
1 1 1 20 12 8  o 136.7167 54.19728 1.011846       1.559969  2.064477       2.290749  0.1015562      2.130243  172.6732 66.47034 134.7216 58.89898 37.95160       88.81100 
1 1 1 20 12 10 o 202.0433 53.56961 3.345515       1.556420  3.624377       2.255504  3.092021       2.150470  205.9825 67.27821 192.9500 65.75209 13.03255       94.07282 
1 1 1 20 12 12 o 106.2313 47.49498 -0.2966580     1.462177  0.5986902      2.215388  -0.9877166     1.946307  141.9094 61.05564 112.6591 52.05436 29.25037       80.23370 
1 1 1 20 12 14 o 168.4569 63.51745 2.279580       2.064528  5.457782       2.953074  -0.7588348     2.887402  235.1024 76.99393 137.3022 63.42711 97.80026       99.75502 
1 1 1 20 12 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 12 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 12 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 13 1  o 243.1190 47.76969 4.641950       1.584933  4.918477       2.232178  4.360789       2.250806  242.1624 64.12861 227.4172 66.04471 14.74516       92.05640 
1 1 1 20 13 3  o 123.1361 51.90219 0.3876010      1.544404  -1.070373      2.220467  1.753863       2.149495  122.1088 56.12348 164.8730 64.13741 -42.76422      85.22589 
1 1 1 20 13 5  o 198.6445 54.18122 3.203297       1.564975  4.419089       2.293349  2.143749       2.140923  227.7212 66.81703 172.5582 64.76376 55.16301       93.05299 
1 1 1 20 13 7  o 167.1401 55.09369 2.198293       1.511072  3.548246       2.221784  1.036434       2.061196  205.0439 66.76019 148.1871 61.00052 56.85680       90.43221 
1 1 1 20 13 9  o 210.4738 51.94221 3.619060       1.537600  7.005698       2.211808  0.4516870      2.139009  292.6567 55.43226 138.9967 59.90003 153.6600       81.61342 
1 1 1 20 13 11 o 293.1865 41.73808 6.694974       1.682939  4.268741       2.271816  9.645681       2.505358  218.5643 67.05711 343.7692 53.21505 -125.2049      85.60664 
1 1 1 20 13 13 o 215.8018 56.83023 4.033385       1.759274  3.743275       2.540214  4.300805       2.438860  200.9181 71.28033 214.1275 69.96074 -13.20944      99.87687 
1 1 1 20 13 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 13 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 13 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 14 0  o 100.1981 64.67469 0.2564927      2.134271  0.2564927      2.134271  0.2564927      2.134271  100.1981 64.67469 100.1981 64.67469 0.000000       0.000000 
1 1 1 20 14 2  o 130.1757 52.55514 0.8071830      1.494491  0.9525250      2.148563  0.6709484      2.080157  148.7787 61.85681 142.3358 60.12783 6.442871       86.26483 
1 1 1 20 14 4  f 146.0503 55.06162 1.422156       1.551316  0.7221334      2.270354  2.035223       2.124671  147.2362 62.53416 169.1156 64.28301 -21.87941      89.68181 
1 1 1 20 14 6  o 183.1829 55.10658 2.744819       1.544532  3.638392       2.169271  1.826048       2.199643  206.3396 65.85900 165.0801 64.68892 41.25941       92.31503 
1 1 1 20 14 8  o 92.21044 43.72166 -1.513510      1.530513  0.1721259      2.299877  -2.853379      2.050473  138.0489 60.75006 97.77915 47.43987 40.26977       77.07861 
1 1 1 20 14 10 o 267.8358 47.58781 5.774204       1.737696  8.837231       2.646991  3.454384       2.303586  321.8945 60.32163 197.5710 68.03098 124.3235       90.92257 
1 1 1 20 14 12 o 137.7190 56.10064 1.094438       1.720604  1.704917       2.557302  0.5895066      2.325751  161.9080 67.41383 141.1124 61.62085 20.79562       91.33321 
1 1 1 20 14 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 14 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 14 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 14 20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 15 1  o 197.2074 53.01306 3.186717       1.511252  3.533916       2.194666  2.873626       2.084084  203.4766 66.35847 187.0912 64.69598 16.38547       92.67695 
1 1 1 20 15 3  o 151.3228 55.45657 1.655232       1.552718  -0.3989513E-01 2.265146  3.157773       2.132594  134.7690 59.75225 193.7608 65.48444 -58.99184      88.64843 
1 1 1 20 15 5  o 115.4272 49.70518 0.1876316      1.470709  -0.2141128E-01 2.097033  0.3899788      2.063174  130.2361 57.62989 135.6086 58.63585 -5.372513      82.21537 
1 1 1 20 15 7  o 183.1717 54.21266 2.796332       1.504278  2.904978       2.128082  2.687831       2.126659  185.4975 65.29363 180.4125 65.07926 5.085007       92.18768 
1 1 1 20 15 9  o 142.1741 55.90671 1.320312       1.647827  2.072841       2.392004  0.6406269      2.273285  167.8357 66.92323 141.9286 61.45875 25.90717       90.86196 
1 1 1 20 15 11 o 172.8874 57.78976 2.573285       1.661139  1.604425       2.369838  3.509122       2.329102  157.0725 65.10480 194.6872 68.32555 -37.61470      94.37698 
1 1 1 20 15 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 15 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 15 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 15 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 16 0  o 56.79054 41.49208 -4.630660      2.039750  -4.630660      2.039750  -4.630660      2.039750  56.79054 41.49208 56.79054 41.49208 0.000000       0.000000 
1 1 1 20 16 2  o 144.5802 54.29416 1.463388       1.505135  1.652034       2.220970  1.303164       2.046841  159.9949 64.25203 150.5167 61.23524 9.478210       88.75854 
1 1 1 20 16 4  o 164.8846 54.90056 2.209382       1.499448  0.6671351      2.116693  3.762888       2.124406  140.1426 59.97627 206.3696 65.09129 -66.22702      88.51006 
1 1 1 20 16 6  o 102.0109 47.35516 -0.9653503     1.639128  -3.928871      2.428713  1.513618       2.221302  100.4201 49.33737 155.6898 63.62105 -55.26975      80.50972 
1 1 1 20 16 8  o 180.2798 58.99695 2.820837       1.734028  5.959966       2.559253  0.1566807      2.357699  251.5791 69.55454 135.7970 60.53899 115.7822       92.21066 
1 1 1 20 16 10 o 216.5514 56.70454 4.129508       1.757977  2.925377       2.584557  5.166254       2.398200  181.3738 70.39264 232.4765 68.35851 -51.10271      98.12241 
1 1 1 20 16 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 16 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 16 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 16 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 17 1  o 187.0604 52.96617 2.953585       1.465348  4.470767       2.079762  1.457942       2.064946  223.7126 63.01704 151.8500 61.60583 71.86263       88.12733 
1 1 1 20 17 3  o 253.2811 50.97513 5.320886       1.763855  5.116779       2.524579  5.515537       2.465410  232.8006 70.54446 243.5697 68.61158 -10.76912      98.40767 
1 1 1 20 17 5  o 106.2137 48.45320 -0.5405036     1.614168  -0.2229325     2.305913  -0.8456421     2.260326  129.5951 58.64227 121.1223 56.01134 8.472832       81.09370 
1 1 1 20 17 7  o 187.7738 57.85487 3.120144       1.688875  0.5387223      2.472451  5.378232       2.312430  141.9012 62.69395 239.7363 66.05154 -97.83514      91.06777 
1 1 1 20 17 9  o 115.3621 53.12452 -0.6414497     2.002891  0.3249503      2.902074  -1.520447      2.767731  145.6995 65.87228 124.8943 59.09343 20.80523       88.49401 
1 1 1 20 17 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 17 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 17 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 17 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 18 0  o 117.1108 75.78571 0.8314959      2.955765  0.8314959      2.955765  0.8314959      2.955765  117.1108 75.78571 117.1108 75.78571 0.000000       0.000000 
1 1 1 20 18 2  o 124.6315 55.66125 0.2340995E-01  2.002467  1.453631       2.837278  -1.396051      2.826585  159.7302 68.91245 127.9407 60.28667 31.78951       91.56095 
1 1 1 20 18 4  o 92.18855 45.04901 -2.849090      1.942935  -4.908834      2.801679  -0.9407092     2.696772  102.7628 50.94781 128.9834 60.16681 -26.22058      78.83986 
1 1 1 20 18 6  o 126.9826 56.32426 0.2210023      2.014842  -0.9757584     2.950175  1.267172       2.758323  133.1986 62.39248 154.7573 67.35043 -21.55862      91.80905 
1 1 1 20 18 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 18 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 18 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 18 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 18 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 19 1  o 204.4930 63.63206 3.952904       2.037205  3.892862       3.032715  4.002275       2.750064  195.6426 76.16169 198.7927 73.63790 -3.150085      105.9393 
1 1 1 20 19 3  o 97.19133 46.75840 -1.993270      1.890888  -2.942547      2.753655  -1.146260      2.601101  112.7329 54.76014 123.7449 58.16081 -11.01197      79.88337 
1 1 1 20 19 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 19 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 19 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 19 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 19 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 19 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 20 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 21 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 21 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 21 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 21 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 21 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 21 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 22 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 22 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 22 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 22 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 22 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 23 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 23 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 20 23 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 0  1  o 215.1261 80.75445 4.661448       2.295879  4.661448       2.295879  4.661448       2.295879  215.1261 80.75445 215.1261 80.75445 0.000000       0.000000 
1 1 1 21 0  3  f 267.8464 68.84705 6.222026       2.255431  6.222026       2.255431  6.222026       2.255431  267.8464 68.84705 267.8464 68.84705 0.000000       0.000000 
1 1 1 21 0  5  o 108.8213 68.47544 0.6220689      2.216483  0.6220689      2.216483  0.6220689      2.216483  108.8213 68.47544 108.8213 68.47544 0.000000       0.000000 
1 1 1 21 0  7  o 151.2747 78.23186 2.604288       2.155808  2.604288       2.155808  2.604288       2.155808  151.2747 78.23186 151.2747 78.23186 0.000000       0.000000 
1 1 1 21 0  9  o 104.7947 66.34151 0.5225969      2.115895  0.5225969      2.115895  0.5225969      2.115895  104.7947 66.34151 104.7947 66.34151 0.000000       0.000000 
1 1 1 21 0  11 o 109.4234 68.26052 0.7826698      2.152632  0.7826698      2.152632  0.7826698      2.152632  109.4234 68.26052 109.4234 68.26052 0.000000       0.000000 
1 1 1 21 0  13 o 108.5017 67.66372 0.8072034      2.113403  0.8072034      2.113403  0.8072034      2.113403  108.5017 67.66372 108.5017 67.66372 0.000000       0.000000 
1 1 1 21 0  15 o 122.9263 78.42159 0.9852309      3.024204  0.9852309      3.024204  0.9852309      3.024204  122.9263 78.42159 122.9263 78.42159 0.000000       0.000000 
1 1 1 21 0  17 o 127.1988 78.92979 1.533458       2.839932  1.533458       2.839932  1.533458       2.839932  127.1988 78.92979 127.1988 78.92979 0.000000       0.000000 
1 1 1 21 0  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 0  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 1  0  o 106.0655 67.08981 0.5075738      2.158748  0.5075738      2.158748  0.5075738      2.158748  106.0655 67.08981 106.0655 67.08981 0.000000       0.000000 
1 1 1 21 1  2  o 363.1297 33.06503 9.675868       1.680606  9.555745       2.405416  9.790428       2.349058  353.3505 49.45460 358.7787 47.42473 -5.428223      68.51907 
1 1 1 21 1  4  o 178.3983 56.27650 2.460964       1.587932  2.050501       2.242924  2.873447       2.248437  175.4792 66.19615 193.9044 67.19120 -18.42514      94.32172 
1 1 1 21 1  6  o 362.8422 32.93514 9.677663       1.672803  9.301582       2.357144  10.05925       2.374350  347.9128 49.24874 363.0551 47.33806 -15.14233      68.31055 
1 1 1 21 1  8  o 185.0008 54.68002 2.710012       1.531172  1.866117       2.230621  3.461955       2.105592  170.2482 65.57772 206.4997 64.75713 -36.25151      92.16248 
1 1 1 21 1  10 o 124.4011 51.89833 0.4657608      1.519946  -0.1548087E-01 2.176792  0.9236253      2.123263  135.2670 59.32751 149.1944 61.71232 -13.92746      85.60470 
1 1 1 21 1  12 o 162.2971 54.87479 2.022208       1.497542  -0.5359526     2.065862  4.855091       2.173960  123.8764 55.83092 240.1805 63.13765 -116.3041      84.28199 
1 1 1 21 1  14 f 133.7854 53.64774 0.9529241      1.545975  0.2638547      2.204478  1.619771       2.168639  137.4558 60.00903 159.8633 63.72940 -22.40756      87.53582 
1 1 1 21 1  16 o 208.5790 63.78933 3.859350       2.057884  2.167837       2.819460  5.787851       3.010498  174.8123 71.58427 243.8492 77.55732 -69.03699      105.5436 
1 1 1 21 1  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 1  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 1  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 2  1  o 318.9225 36.95422 7.548550       1.637063  6.760005       2.353034  8.288289       2.279053  291.5570 59.05436 328.0500 50.72515 -36.49301      77.84894 
1 1 1 21 2  3  f 358.8290 33.66734 9.467286       1.689716  9.191844       2.440191  9.721022       2.342065  345.1592 51.53159 357.2577 47.49892 -12.09842      70.08318 
1 1 1 21 2  5  o 265.8432 44.55125 5.399474       1.616872  3.746804       2.257549  7.140046       2.316808  214.8610 67.00478 300.5335 56.54723 -85.67255      87.67684 
1 1 1 21 2  7  o 246.6686 49.17777 4.750054       1.656469  1.989231       2.299284  7.729188       2.388462  174.1298 66.70554 312.5542 56.05692 -138.4244      87.13213 
1 1 1 21 2  9  f 233.3312 47.58128 4.257031       1.517871  5.132515       2.182428  3.436778       2.112467  249.7251 62.03185 205.2216 64.93126 44.50351       89.79988 
1 1 1 21 2  11 o 223.6008 49.32961 3.966624       1.519045  5.022229       2.169320  2.951050       2.127791  245.5682 62.32557 191.7853 65.40346 53.78290       90.34428 
1 1 1 21 2  13 o 234.4433 48.62840 4.383598       1.560463  4.156506       2.215369  4.607221       2.198384  219.9719 65.95762 231.9124 64.59641 -11.94052      92.32065 
1 1 1 21 2  15 o 258.0728 58.95134 5.664764       2.105739  4.872262       2.950866  6.487061       3.005823  227.2919 77.02854 261.7640 76.40926 -34.47215      108.4978 
1 1 1 21 2  17 o 369.8144 44.67516 10.84031       2.290807  9.961946       3.185232  11.78142       3.297041  329.6791 70.41048 363.8964 66.47022 -34.21732      96.82937 
1 1 1 21 2  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 2  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 3  0  f 490.8914 37.68972 17.67208       2.581935  17.67208       2.581935  17.67208       2.581935  490.8914 37.68972 490.8914 37.68972 0.000000       0.000000 
1 1 1 21 3  2  f 504.9935 26.00736 18.42640       1.852407  21.71564       2.732749  15.63023       2.519610  543.4711 35.72885 458.9553 39.16599 84.51575       53.01439 
1 1 1 21 3  4  o 411.4715 29.43512 12.33114       1.702735  11.52082       2.453443  13.08412       2.365052  390.2214 45.26561 418.7867 40.40619 -28.56528      60.67648 
1 1 1 21 3  6  o 174.5781 55.89671 2.355894       1.561690  3.327321       2.247181  1.448488       2.171871  203.8959 67.18484 161.2561 63.94167 42.63985       92.74880 
1 1 1 21 3  8  o 117.3768 50.98669 -0.6118519E-02 1.574630  -3.759480      2.210569  3.859979       2.243522  97.77597 47.83728 216.2765 66.68958 -118.5005      82.07256 
1 1 1 21 3  10 o 368.7951 32.53422 10.04089       1.680636  6.808746       2.424048  13.03266       2.332171  288.0794 61.33994 416.2566 40.08452 -128.1772      73.27590 
1 1 1 21 3  12 o 345.0995 33.90030 8.871970       1.634302  6.394853       2.220483  11.80003       2.414148  279.2297 58.08527 391.9024 44.30367 -112.6727      73.05282 
1 1 1 21 3  14 f 161.1515 57.91644 1.988455       1.682459  3.157135       2.395152  0.8501025      2.363870  193.4277 69.15195 149.5453 63.67251 43.88243       94.00097 
1 1 1 21 3  16 o 197.6128 64.55206 3.461735       2.076389  7.742015       3.064883  -0.1694205     2.822931  285.4084 74.93807 142.9281 64.75904 142.4803       99.04266 
1 1 1 21 3  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 3  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 3  22 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 4  1  o 336.1974 35.51971 8.360433       1.664467  7.560862       2.353680  9.160319       2.354145  310.1424 55.67057 345.3835 49.58257 -35.24106      74.54961 
1 1 1 21 4  3  o 286.8119 42.48220 6.228291       1.672278  4.446571       2.449252  7.784225       2.288809  231.9451 69.30626 315.9733 53.06371 -84.02817      87.28754 
1 1 1 21 4  5  o 244.0112 48.07459 4.628141       1.601066  4.412318       2.242543  4.852527       2.286597  231.4986 65.51519 242.6504 65.20062 -11.15179      92.43031 
1 1 1 21 4  7  o 453.4503 27.68298 14.94882       1.768023  13.71813       2.510584  16.15967       2.490264  426.9220 42.10072 466.0979 38.08448 -39.17584      56.77058 
1 1 1 21 4  9  o 355.7367 33.05022 9.352598       1.644853  7.566178       2.288343  11.26223       2.365945  308.7553 54.35485 384.4770 44.29087 -75.72171      70.11513 
1 1 1 21 4  11 o 478.0731 26.01484 16.62251       1.753459  20.03089       2.574739  13.67442       2.394582  519.2172 35.24900 425.4796 40.24610 93.73764       53.49991 
1 1 1 21 4  13 o 411.0928 31.30992 12.52282       1.807850  12.66479       2.391495  12.33350       2.761637  406.1450 42.22276 394.2178 50.67106 11.92719       65.95693 
1 1 1 21 4  15 o 126.5169 55.85606 0.5499519E-01  1.959103  2.840594       2.845651  -2.454922      2.701171  186.8626 73.47155 118.8814 56.84596 67.98125       92.89528 
1 1 1 21 4  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 4  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 4  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 5  0  o 463.4672 38.25854 15.81641       2.468682  15.81641       2.468682  15.81641       2.468682  463.4672 38.25854 463.4672 38.25854 0.000000       0.000000 
1 1 1 21 5  2  o 199.8767 55.71368 3.180444       1.634707  5.724494       2.369196  0.8687171      2.258429  264.5168 63.99169 152.6693 63.44181 111.8475       90.10993 
1 1 1 21 5  4  o 172.7733 56.52885 2.289101       1.592015  -0.1762660     2.275111  4.654510       2.228512  136.5934 60.25343 237.8286 64.56651 -101.2352      88.31370 
1 1 1 21 5  6  o 366.0697 32.48837 9.862558       1.665645  6.000371       2.305449  14.07992       2.409124  271.2552 61.48140 434.0230 39.65950 -162.7679      73.16310 
1 1 1 21 5  8  o 262.6343 44.81532 5.321231       1.605979  4.901152       2.347935  5.690553       2.201522  241.5275 66.56124 263.7645 60.29570 -22.23703      89.81075 
1 1 1 21 5  10 o 391.8799 30.39944 11.28954       1.672750  13.19946       2.437884  9.590391       2.299433  417.1986 41.85529 351.7777 47.39291 65.42093       63.22937 
1 1 1 21 5  12 o 423.3370 27.54309 13.12428       1.641173  13.16561       2.339027  13.08420       2.303322  416.2525 40.20606 415.3279 39.66854 0.9246826      56.48115 
1 1 1 21 5  14 o 193.8546 58.89407 3.196312       1.758015  3.946642       2.499101  2.461270       2.473513  209.6201 70.88835 178.2326 68.94846 31.38750       98.88908 
1 1 1 21 5  16 o 172.8710 64.41892 2.459840       2.110484  3.452812       3.057560  1.556211       2.916765  196.0534 76.42992 165.4255 70.59005 30.62784       104.0408 
1 1 1 21 5  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 5  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 6  1  o 470.5538 26.65474 16.04622       1.767763  15.12547       2.520700  16.93733       2.479789  450.2552 39.97378 478.4081 36.91184 -28.15289      54.40944 
1 1 1 21 6  3  o 371.7693 32.02428 10.15063       1.668489  12.61071       2.488909  8.142750       2.248554  408.5720 43.72386 323.8716 50.72169 84.70038       66.96616 
1 1 1 21 6  5  o 369.1597 33.20704 10.04880       1.716338  8.821898       2.367424  11.40810       2.491893  336.5445 51.32855 386.3941 46.50375 -49.84964      69.26196 
1 1 1 21 6  7  o 360.8474 32.39232 9.602871       1.636608  11.51123       2.381719  7.895682       2.252692  388.9941 44.03778 317.0408 52.00910 71.95331       68.14890 
1 1 1 21 6  9  o 203.6137 55.61758 3.369760       1.647655  3.321737       2.183631  3.433247       2.510732  200.9678 66.22842 204.4040 70.99283 -3.436234      97.08854 
1 1 1 21 6  11 o 354.0964 35.76249 9.403279       1.767594  7.640463       2.702513  10.72117       2.336708  299.8330 65.52422 372.2690 45.28392 -72.43604      79.64959 
1 1 1 21 6  13 f 120.8741 52.71427 0.1111957      1.697238  4.912195       2.507756  -3.946588      2.305493  233.2783 70.22705 97.60323 47.97656 135.6751       85.05051 
1 1 1 21 6  15 o 231.5786 61.20053 4.723075       2.035643  7.560467       2.941974  2.116837       2.819592  283.5432 72.91113 173.1199 71.31316 110.4233       101.9882 
1 1 1 21 6  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 6  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 6  21 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 7  0  o 611.3646 32.31878 27.09106       2.778289  27.09106       2.778289  27.09106       2.778289  611.3646 32.31878 611.3646 32.31878 0.000000       0.000000 
1 1 1 21 7  2  o 573.7126 23.47344 23.72882       1.901834  23.12868       2.697323  24.32212       2.681943  560.6609 34.15690 575.6818 33.05804 -15.02087      47.53450 
1 1 1 21 7  4  o 201.7691 54.89578 3.268001       1.608881  2.543887       2.294744  3.968085       2.256345  184.9468 67.47478 218.7481 66.77414 -33.80124      94.92961 
1 1 1 21 7  6  o 681.7223 20.83508 33.39546       2.007763  33.67778       2.854031  33.11886       2.825003  679.2430 29.76249 673.6116 29.70701 5.631470       42.05130 
1 1 1 21 7  8  f 170.5225 56.48698 2.267066       1.587849  1.365883       2.247387  3.165321       2.243732  159.0979 64.37017 197.2932 67.16402 -38.19525      93.02969 
1 1 1 21 7  10 o 321.9146 36.58188 7.801535       1.637058  7.696142       2.292622  7.911174       2.338356  309.1387 54.38838 313.2812 54.73299 -4.142456      77.16085 
1 1 1 21 7  12 o 141.9056 56.16479 1.201755       1.672802  0.1915459      2.284434  2.369689       2.456303  137.9671 60.63574 177.5655 68.70338 -39.59843      91.63432 
1 1 1 21 7  14 f 169.4080 59.23242 2.364561       1.749377  1.073274       2.434293  3.743659       2.515699  151.9249 64.64738 202.7603 71.02103 -50.83533      96.03786 
1 1 1 21 7  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 7  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 7  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 8  1  o 206.8190 53.69866 3.429016       1.585406  4.342538       2.255335  2.536621       2.229102  228.1708 66.06625 183.9504 66.59138 44.22043       93.80384 
1 1 1 21 8  3  o 110.7299 48.94191 -0.2387628     1.508208  2.346091       2.102386  -2.979475      2.164842  178.0733 64.64165 102.0465 49.32647 76.02681       81.31201 
1 1 1 21 8  5  o 348.3766 36.53465 9.065210       1.774485  10.77927       2.418005  7.064723       2.612236  374.3183 46.65534 291.1086 65.04747 83.20966       80.04932 
1 1 1 21 8  7  f 118.1040 50.76124 0.1577676      1.528320  -0.8270031     2.277242  0.9648319      2.061558  126.5927 57.67313 147.7368 60.92989 -21.14420      83.89661 
1 1 1 21 8  9  o 339.3685 34.08448 8.596867       1.614857  9.241814       2.255010  7.917957       2.313622  343.9318 47.60429 313.8366 54.04139 30.09515       72.01833 
1 1 1 21 8  11 o 456.8918 26.34943 15.27561       1.696517  17.51238       2.466015  13.26571       2.337608  482.2551 36.40134 416.7112 40.13430 65.54388       54.18320 
1 1 1 21 8  13 f 131.5584 56.07034 0.5699187      1.836323  -2.756421      2.926826  2.729373       2.358227  121.8497 58.50539 181.2968 67.98624 -59.44715      89.69398 
1 1 1 21 8  15 o 127.8459 59.72566 -1.195446      2.673593  -0.2069201     3.782049  -2.182908      3.780015  157.3725 72.66052 141.9058 67.68795 15.46677       99.30363 
1 1 1 21 8  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 8  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 9  0  o 277.1096 69.36010 6.689075       2.353008  6.689075       2.353008  6.689075       2.353008  277.1096 69.36010 277.1096 69.36010 0.000000       0.000000 
1 1 1 21 9  2  f 129.9750 53.22009 0.6861914      1.558277  0.7482883      2.237123  0.6276678      2.171802  148.4260 62.50913 144.8792 61.33140 3.546860       87.57243 
1 1 1 21 9  4  o 130.7375 53.19053 0.7464170      1.544438  2.743873       2.228302  -1.100263      2.142552  187.4877 66.73577 119.4873 54.99563 68.00043       86.47649 
1 1 1 21 9  6  o 361.6292 33.38249 9.708174       1.689176  9.339655       2.491110  10.02184       2.298239  343.0377 53.02150 360.1082 46.15636 -17.07053      70.29714 
1 1 1 21 9  8  o 120.1689 50.85362 0.3549237      1.492293  1.640842       2.092815  -0.9751926     2.128478  160.2718 63.01037 119.6440 54.97520 40.62787       83.62165 
1 1 1 21 9  10 o 106.7224 48.07455 -0.4343294     1.529448  -2.129172      2.138982  1.338719       2.187776  106.9587 50.99040 154.5817 63.15020 -47.62302      81.16631 
1 1 1 21 9  12 o 158.0321 58.60941 1.904796       1.743056  2.332089       2.487272  1.492437       2.443421  174.5915 68.67649 159.2598 66.06817 15.33171       95.29671 
1 1 1 21 9  14 o 263.8729 59.62857 6.085567       2.174122  5.254985       3.116160  6.873343       3.034801  227.8645 79.09332 263.4494 76.74136 -35.58493      110.2043 
1 1 1 21 9  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 9  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 9  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 10 1  o 427.2997 31.81841 13.46084       1.910303  16.46064       2.515897  9.376857       2.935548  468.6728 38.26453 336.2511 64.02650 132.4217       74.58932 
1 1 1 21 10 3  o 142.6401 54.84374 1.257501       1.558165  0.5754135      2.202763  1.940598       2.204393  144.0761 61.40810 169.1411 65.18060 -25.06496      89.55147 
1 1 1 21 10 5  o 303.5622 38.52314 6.983255       1.617748  8.424771       2.338945  5.661183       2.239947  325.2423 52.61053 259.9564 61.79794 65.28586       81.15943 
1 1 1 21 10 7  o 86.18883 41.45792 -1.933167      1.484987  -0.8608721     2.135030  -2.938029      2.066808  120.9923 55.39553 98.11916 47.61035 22.87313       73.04390 
1 1 1 21 10 9  o 337.5697 33.78722 8.554149       1.592451  8.410659       2.275525  8.691871       2.229316  323.1567 51.48214 330.2786 49.19365 -7.121918      71.20692 
1 1 1 21 10 11 o 167.0297 62.78038 2.179335       2.013376  0.1493235      2.825765  4.272562       2.869425  147.0876 65.87430 213.3741 75.75273 -66.28648      100.3887 
1 1 1 21 10 13 o 137.7103 58.88089 0.7415661      2.036660  1.119470       2.863919  0.3549061      2.896909  157.7595 68.64260 148.8062 66.66709 8.953232       95.68860 
1 1 1 21 10 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 10 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 10 19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 11 0  o 122.8414 73.49777 1.450826       2.273474  1.450826       2.273474  1.450826       2.273474  122.8414 73.49777 122.8414 73.49777 0.000000       0.000000 
1 1 1 21 11 2  o 277.1561 42.18159 5.917619       1.602383  7.307348       2.234378  4.446036       2.299238  301.0508 54.44788 227.2998 66.95906 73.75093       86.30230 
1 1 1 21 11 4  o 79.54076 38.97608 -2.642408      1.484757  -2.624503      2.084893  -2.660834      2.114957  101.3895 48.85921 102.0526 49.18668 -0.6631165     69.32931 
1 1 1 21 11 6  o 145.2408 54.18352 1.457687       1.493924  2.166559       2.111348  0.7469600      2.114110  170.6348 64.25652 143.2110 60.56288 27.42375       88.29928 
1 1 1 21 11 8  o 213.2264 53.82799 3.783043       1.624253  2.743967       2.289713  4.835528       2.304439  183.1669 67.30778 233.4746 66.52694 -50.30772      94.63705 
1 1 1 21 11 10 o 250.4396 59.59843 5.427957       2.081596  4.502984       3.054177  6.230357       2.844624  216.6052 78.00911 255.7585 74.23927 -39.15324      107.6889 
1 1 1 21 11 12 f 135.0230 58.15565 0.6170713      2.014106  -0.1351438     2.817383  1.403321       2.880414  141.5859 64.36559 161.5447 69.56258 -19.95882      94.77279 
1 1 1 21 11 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 11 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 11 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 12 1  o 283.0051 42.10805 6.194012       1.635176  8.045194       2.276934  4.222515       2.349762  316.1734 52.74373 219.7975 68.33056 96.37596       86.31898 
1 1 1 21 12 3  o 252.8435 47.27249 5.080005       1.629358  3.650431       2.474796  6.173796       2.164728  205.3609 70.52122 272.4122 57.93488 -67.05130      91.26715 
1 1 1 21 12 5  o 132.7991 53.11872 0.9593548      1.511717  0.7980695      2.174939  1.110100       2.102674  144.7114 61.32317 148.6240 61.43832 -3.912659      86.80552 
1 1 1 21 12 7  o 159.9174 59.02561 1.949503       1.764148  1.095615       2.559330  2.722488       2.435071  155.6013 66.25189 182.6474 68.95718 -27.04613      95.62638 
1 1 1 21 12 9  o 170.1422 64.16137 2.327761       2.106756  1.154808       3.066516  3.376292       2.899317  162.3728 70.83359 194.6290 74.81703 -32.25621      103.0291 
1 1 1 21 12 11 f 106.2561 50.30800 -1.579838      2.012226  0.1525981      2.990078  -3.013898      2.720430  147.5287 66.76543 113.4037 54.93119 34.12496       86.45842 
1 1 1 21 12 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 12 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 12 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 13 0  o 77.20741 53.99470 -1.833197      2.186954  -1.833197      2.186954  -1.833197      2.186954  77.20741 53.99470 77.20741 53.99470 0.000000       0.000000 
1 1 1 21 13 2  o 347.4751 33.72581 9.074560       1.637629  7.184111       2.286053  11.06727       2.347068  293.5098 57.09149 375.9002 45.01379 -82.39041      72.70267 
1 1 1 21 13 4  o 104.0286 48.31625 -1.036451      1.709651  -2.317042      2.459352  0.1611317      2.378309  113.9061 54.40541 138.6244 61.35598 -24.71831      82.00308 
1 1 1 21 13 6  f 203.6621 66.41225 3.718701       2.198253  1.353673       3.100497  6.109230       3.117167  166.2688 71.88673 248.9052 78.89013 -82.63644      106.7303 
1 1 1 21 13 8  f 134.4324 59.52053 0.2278522      2.239973  0.8736172      3.114625  -0.4639763     3.223797  158.5871 70.20184 146.1369 67.33328 12.45021       97.27316 
1 1 1 21 13 10 o 178.9945 65.36613 2.820026       2.154320  0.6411484      3.096030  4.865283       2.999596  154.0900 68.98578 218.8306 77.47506 -64.74059      103.7373 
1 1 1 21 13 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 13 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 13 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 13 18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 14 1  f 203.1107 64.88006 3.674608       2.104934  2.764714       2.927028  4.649168       3.029255  185.1865 73.96741 219.6736 77.84914 -34.48714      107.3856 
1 1 1 21 14 3  f 119.3666 54.83274 -0.7478274     2.115463  1.049534       3.127099  -2.264453      2.872521  162.2486 71.13632 123.9299 59.08366 38.31870       92.47300 
1 1 1 21 14 5  o 179.3291 64.53447 2.769442       2.089725  1.279523       3.100651  4.009446       2.828673  163.5703 71.29348 205.4906 74.92297 -41.92038      103.4225 
1 1 1 21 14 7  f 309.4539 50.47565 7.920470       2.134409  7.328404       2.939732  8.580545       3.103982  274.0654 74.05284 297.9900 73.95358 -23.92462      104.6564 
1 1 1 21 14 9  o 211.5286 65.55256 4.190644       2.164505  5.369025       3.135530  3.117906       2.991678  226.1526 79.28349 186.0719 74.62406 40.08070       108.8789 
1 1 1 21 14 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 14 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 14 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 14 17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 15 0  o 133.8240 82.27009 1.925968       3.017176  1.925968       3.017176  1.925968       3.017176  133.8240 82.27009 133.8240 82.27009 0.000000       0.000000 
1 1 1 21 15 2  o 122.5118 55.51099 -0.3221788     2.074496  1.758780       3.026718  -2.165822      2.848910  167.7073 71.74493 122.8784 58.65376 44.82892       92.66930 
1 1 1 21 15 4  o 127.4127 56.79617 0.6359676E-01  2.074701  -1.374842      2.907570  1.555697       2.961308  130.4157 61.35722 163.5182 70.47359 -33.10251      93.44107 
1 1 1 21 15 6  o 104.3810 50.43677 -2.521652      2.258360  1.659412       3.061744  -7.510834      3.344569  165.1454 71.41858 103.4578 51.94967 61.68756       88.31411 
1 1 1 21 15 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 15 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 15 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 15 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 15 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 16 1  o 217.5103 64.10880 4.408544       2.107199  2.022950       3.024140  6.659857       2.937795  169.1073 72.01031 255.8618 75.77018 -86.75449      104.5304 
1 1 1 21 16 3  o 151.6648 61.60386 1.605625       2.067668  1.561355       2.980126  1.646717       2.871167  162.1160 70.28355 162.0373 69.60849 0.7870483E-01  98.91976 
1 1 1 21 16 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 16 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 16 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 16 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 16 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 16 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 17 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 18 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 18 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 18 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 18 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 18 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 18 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 19 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 19 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 19 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 19 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 19 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 19 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 20 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 20 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 20 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 20 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 20 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 21 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 21 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 21 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 21 21 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 0  0  o 137.1247 84.55480 1.295185       3.209792  1.295185       3.209792  1.295185       3.209792  137.1247 84.55480 137.1247 84.55480 0.000000       0.000000 
1 1 1 22 0  2  f 491.6436 35.53585 17.73742       2.442216  17.73742       2.442216  17.73742       2.442216  491.6436 35.53585 491.6436 35.53585 0.000000       0.000000 
1 1 1 22 0  4  o 742.0436 27.86236 39.66653       2.916573  39.66653       2.916573  39.66653       2.916573  742.0436 27.86236 742.0436 27.86236 0.000000       0.000000 
1 1 1 22 0  6  o 476.3223 37.66284 16.77306       2.501256  16.77306       2.501256  16.77306       2.501256  476.3223 37.66284 476.3223 37.66284 0.000000       0.000000 
1 1 1 22 0  8  o 350.8121 49.24294 9.594868       2.306604  9.594868       2.306604  9.594868       2.306604  350.8121 49.24294 350.8121 49.24294 0.000000       0.000000 
1 1 1 22 0  10 o 163.7294 79.24685 3.164212       2.141061  3.164212       2.141061  3.164212       2.141061  163.7294 79.24685 163.7294 79.24685 0.000000       0.000000 
1 1 1 22 0  12 o 541.7756 46.90298 22.38904       3.531580  22.38904       3.531580  22.38904       3.531580  541.7756 46.90298 541.7756 46.90298 0.000000       0.000000 
1 1 1 22 0  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 0  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 0  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 1  1  o 281.0622 39.83973 5.992471       1.540312  7.284202       2.193180  4.735142       2.163778  303.1611 53.05019 238.3013 63.15345 64.85973       82.47836 
1 1 1 22 1  3  o 152.4715 54.93087 1.652343       1.514542  3.030316       2.190853  0.3910314      2.096061  194.0320 66.36092 138.8979 59.56830 55.13411       89.17485 
1 1 1 22 1  5  o 273.4594 41.92672 5.735826       1.570901  2.627599       2.184395  9.065151       2.260751  183.9350 66.00632 341.1594 48.16303 -157.2243      81.70993 
1 1 1 22 1  7  o 265.2999 44.43684 5.477375       1.609451  5.465141       2.299367  5.489126       2.253539  253.5843 64.06097 254.8935 62.86983 -1.309204      89.75758 
1 1 1 22 1  9  o 319.3111 36.05636 7.702545       1.600890  9.081691       2.346044  6.500761       2.190002  337.3214 50.71212 280.2195 57.16249 57.10196       76.41512 
1 1 1 22 1  11 o 347.8467 44.71711 9.513413       2.150449  5.550576       2.949918  14.00770       3.141503  241.1830 76.78035 412.9024 55.13836 -171.7193      94.52757 
1 1 1 22 1  13 o 164.0972 62.72446 2.081850       2.030073  3.158527       2.853452  0.9783430      2.888787  190.5165 73.95753 157.4154 68.70914 33.10109       100.9488 
1 1 1 22 1  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 1  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 1  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 2  0  f 335.8784 50.18081 8.806199       2.228567  8.806199       2.228567  8.806199       2.228567  335.8784 50.18081 335.8784 50.18081 0.000000       0.000000 
1 1 1 22 2  2  o 271.7239 43.22735 5.675959       1.606662  4.041934       2.281800  7.282670       2.262648  219.1047 67.20084 301.7420 55.01231 -82.63734      86.84645 
1 1 1 22 2  4  o 363.3871 31.80168 9.752622       1.618992  11.38050       2.375337  8.340260       2.212524  385.4987 44.34631 326.4234 49.44083 59.07538       66.41529 
1 1 1 22 2  6  o 133.1602 52.98309 0.9337609      1.496134  1.066068       2.060727  0.7862848      2.175653  148.9761 61.12364 146.5399 61.67553 2.436234       86.83300 
1 1 1 22 2  8  o 352.6737 33.55365 9.284524       1.654529  9.533583       2.295787  9.015378       2.386568  348.5220 47.80421 335.9807 51.86002 12.54126       70.53159 
1 1 1 22 2  10 o 274.4508 48.52203 6.037827       1.815695  7.519674       2.673066  4.768441       2.474030  293.2979 65.99907 229.8608 69.87215 63.43713       96.11449 
1 1 1 22 2  12 o 439.4749 37.14834 14.74630       2.288814  11.56972       3.173903  18.18809       3.303741  364.5699 63.84173 475.0064 49.88957 -110.4365      81.02306 
1 1 1 22 2  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 2  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 2  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 3  1  o 103.3051 47.01880 -0.6848091     1.509016  0.9363360      2.140516  -2.286573      2.127683  149.1684 61.85577 106.5322 50.80614 42.63617       80.04623 
1 1 1 22 3  3  o 207.1230 52.22997 3.455235       1.530438  4.863997       2.217989  2.174923       2.114454  240.3865 64.04726 173.2085 64.49220 67.17807       90.89168 
1 1 1 22 3  5  o 181.5423 54.50167 2.658178       1.511948  2.549932       2.158499  2.762450       2.118496  181.4932 65.55193 186.1745 65.17633 -4.681320      92.43922 
1 1 1 22 3  7  o 281.0537 41.04603 6.068803       1.584447  4.564726       2.179991  7.753073       2.306882  230.9304 64.32662 309.6738 54.63457 -78.74339      84.39698 
1 1 1 22 3  9  o 349.8856 33.01271 9.156582       1.615335  11.34027       2.322446  7.110253       2.248218  382.3239 43.70794 293.5362 56.16542 88.78769       71.16838 
1 1 1 22 3  11 o 467.9948 30.04522 16.26884       1.979410  20.63636       2.870424  12.30885       2.733230  518.7206 39.39605 390.3004 50.67863 128.4202       64.19012 
1 1 1 22 3  13 o 183.9113 63.92430 2.948488       2.035842  3.265707       2.906069  2.642770       2.852900  192.1295 74.62167 181.1785 72.79978 10.95102       104.2507 
1 1 1 22 3  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 3  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 3  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 4  0  o 142.1802 76.49243 2.322582       2.126867  2.322582       2.126867  2.322582       2.126867  142.1802 76.49243 142.1802 76.49243 0.000000       0.000000 
1 1 1 22 4  2  o 144.7976 55.03919 1.342509       1.557552  0.6920101      2.178826  2.022334       2.227398  145.5065 61.50577 171.2527 65.64165 -25.74614      89.95435 
1 1 1 22 4  4  o 218.3940 51.66480 3.843828       1.571682  3.674190       2.202271  4.019908       2.243695  208.8020 66.32555 217.4272 66.62819 -8.625259      94.01273 
1 1 1 22 4  6  o 193.5564 53.56535 3.057242       1.517028  2.766825       2.093441  3.378395       2.201434  185.3045 64.79561 200.4813 66.51497 -15.17673      92.85856 
1 1 1 22 4  8  o 508.3554 24.51663 18.80999       1.758595  19.67582       2.591464  18.07091       2.394280  511.8587 36.00432 491.5042 34.64329 20.35452       49.96468 
1 1 1 22 4  10 o 331.6587 39.82981 8.481367       1.832113  7.630671       2.709508  9.197961       2.486793  293.7245 66.70847 334.4318 54.41142 -40.70731      86.08498 
1 1 1 22 4  12 o 87.55782 43.22955 -3.623155      1.942536  -2.321446      2.747814  -4.923626      2.746507  120.3170 57.47848 102.8277 50.88435 17.48933       76.76583 
1 1 1 22 4  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 4  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 4  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 5  1  o 401.0752 30.34174 11.83684       1.709435  13.49028       2.473158  10.32428       2.365450  421.1520 42.05656 364.9405 46.88239 56.21155       62.98184 
1 1 1 22 5  3  o 316.8602 36.53956 7.551955       1.608543  6.637510       2.262830  8.486047       2.287009  284.5219 58.16264 327.5319 50.99919 -43.01007      77.35509 
1 1 1 22 5  5  o 267.1513 42.62771 5.522311       1.557514  5.226934       2.199002  5.819660       2.206332  248.4088 62.58857 263.8747 60.39078 -15.46590      86.97342 
1 1 1 22 5  7  o 106.2382 47.83511 -0.4372917     1.512332  -1.667288      2.113099  0.8543220      2.165381  110.8883 52.21256 146.0241 61.49819 -35.13580      80.67329 
1 1 1 22 5  9  o 350.6301 37.88069 9.384570       1.849887  6.929564       2.648651  11.72262       2.584789  279.0828 67.75114 383.6587 48.70175 -104.5759      83.43906 
1 1 1 22 5  11 o 477.0640 30.46495 16.96587       2.046075  19.61260       2.888865  14.30176       2.898333  503.0639 40.93078 420.8164 49.62008 82.24744       64.32326 
1 1 1 22 5  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 5  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 5  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 5  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 6  0  o 334.9843 51.74242 8.847770       2.278964  8.847770       2.278964  8.847770       2.278964  334.9843 51.74242 334.9843 51.74242 0.000000       0.000000 
1 1 1 22 6  2  o 365.5427 31.20296 9.881956       1.598768  9.066557       2.336602  10.59974       2.192289  338.8575 50.24429 372.1426 42.38069 -33.28516      65.73136 
1 1 1 22 6  4  o 279.0285 41.00508 5.984937       1.570958  4.125517       2.183580  7.980001       2.261825  219.1950 65.42602 315.6185 52.48020 -96.42354      83.87333 
1 1 1 22 6  6  o 536.4413 24.04189 20.91580       1.820563  20.58901       2.582626  21.23859       2.566776  524.5721 34.98859 533.4700 34.17817 -8.897949      48.91164 
1 1 1 22 6  8  o 214.8682 57.51917 3.918411       1.783656  1.630094       2.497764  6.299560       2.547925  163.6898 67.24169 265.9705 67.56848 -102.2807      95.32547 
1 1 1 22 6  10 o 235.6086 53.62076 4.659750       1.747571  6.014423       2.545057  3.451220       2.403860  256.0523 68.78038 196.4305 69.37352 59.62177       97.69046 
1 1 1 22 6  12 o 291.2018 63.93396 7.560396       2.562443  7.923960       3.321709  7.026064       4.026956  280.4525 79.85884 250.7277 89.66245 29.72472       120.0699 
1 1 1 22 6  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 6  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 6  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 7  1  o 85.48653 41.18098 -1.974523      1.477978  -1.739452      2.092247  -2.208666      2.088111  109.8678 51.80034 105.1506 50.19814 4.717178       72.13271 
1 1 1 22 7  3  o 156.9632 55.46201 1.860839       1.536580  2.961747       2.189017  0.7914736      2.157431  189.6364 66.26185 145.1837 61.27771 44.45265       90.25292 
1 1 1 22 7  5  o 358.2727 32.56202 9.578120       1.632975  11.68781       2.341421  7.580098       2.278610  388.6997 43.29850 304.4676 54.90153 84.23209       69.92094 
1 1 1 22 7  7  o 359.8351 38.77283 9.912345       1.943343  10.14873       2.751178  9.676947       2.745436  349.2107 57.68075 339.4472 59.30790 9.763458       82.73146 
1 1 1 22 7  9  o 106.8233 49.01386 -0.7189453     1.683603  0.4831406      2.476941  -1.751248      2.295363  144.1317 63.24853 113.8334 53.84657 30.29836       83.06521 
1 1 1 22 7  11 o 125.5782 55.89648 0.5568475E-03  2.001922  2.937863       2.901944  -2.666616      2.765286  185.7914 73.83368 117.5554 56.55290 68.23599       93.00346 
1 1 1 22 7  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 7  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 7  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 8  0  o 212.7094 78.56041 4.655442       2.190551  4.655442       2.190551  4.655442       2.190551  212.7094 78.56041 212.7094 78.56041 0.000000       0.000000 
1 1 1 22 8  2  o 181.0759 53.87541 2.690096       1.482490  1.179877       2.053837  4.332842       2.142058  149.3502 61.12017 223.6165 64.27593 -74.26631      88.69651 
1 1 1 22 8  4  o 174.7828 59.11109 2.492448       1.737690  3.142931       2.467504  1.852445       2.447546  193.0431 70.03670 167.5494 67.39283 25.49368       97.19534 
1 1 1 22 8  6  o 141.1570 56.84249 1.141101       1.743365  3.529813       2.432122  -1.383352      2.500271  199.9970 69.84697 123.7010 57.77878 76.29599       90.64759 
1 1 1 22 8  8  o 142.5365 61.09832 0.7582762      2.203086  4.620227       3.116815  -3.097826      3.114454  218.2849 78.78006 123.4240 59.53728 94.86091       98.74708 
1 1 1 22 8  10 o 98.68747 47.75082 -2.533449      2.041549  -3.259616      2.807550  -1.718620      2.974009  114.2513 55.45024 129.8993 61.40005 -15.64805      82.73268 
1 1 1 22 8  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 8  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 8  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 8  18 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 9  1  o 233.1704 60.65390 4.671341       2.020178  5.371919       2.637162  3.676341       3.142827  242.3900 71.79071 204.8942 78.11114 37.49580       106.0908 
1 1 1 22 9  3  o 187.6516 66.17004 2.981911       2.186320  3.993445       3.097533  1.977671       3.086345  209.8031 78.06938 176.6446 73.84299 33.15854       107.4598 
1 1 1 22 9  5  o 217.6453 66.61384 4.255767       2.243599  6.244343       3.171554  2.263743       3.174304  252.3717 79.52249 180.4946 75.12636 71.87715       109.3974 
1 1 1 22 9  7  o 131.9341 58.40364 0.1427116      2.155728  0.2876073E-02  3.019377  0.2881062      3.078810  148.1412 67.06233 152.3269 68.44769 -4.185776      95.82507 
1 1 1 22 9  9  o 111.1977 52.02180 -1.213621      2.040243  -0.3830132     2.980304  -1.946197      2.798910  142.2482 65.24728 123.9083 58.85946 18.33991       87.87289 
1 1 1 22 9  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 9  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 9  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 9  17 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 10 0  o 144.6605 85.84674 2.441542       3.054226  2.441542       3.054226  2.441542       3.054226  144.6605 85.84674 144.6605 85.84674 0.000000       0.000000 
1 1 1 22 10 2  o 240.8229 63.74250 5.134200       2.206070  3.306799       3.110099  6.984710       3.129701  195.9691 76.88245 268.6020 77.84193 -72.63290      109.4088 
1 1 1 22 10 4  o 344.2754 46.35363 9.452304       2.201114  9.401319       3.023282  9.509812       3.210872  323.3030 68.22435 320.6237 72.47270 2.679291       99.53318 
1 1 1 22 10 6  o 279.3951 58.61296 6.732715       2.243490  8.753940       3.294832  4.985524       3.063348  299.7026 77.20815 223.8538 78.37387 75.84880       110.0162 
1 1 1 22 10 8  o 169.6343 65.18537 2.341219       2.200324  1.755352       3.113054  2.926089       3.110405  168.8909 72.51588 185.6851 75.50729 -16.79425      104.6896 
1 1 1 22 10 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 10 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 10 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 10 16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 11 1  o 137.1872 59.79672 0.4734260      2.181458  -3.274887      2.965786  4.891740       3.219958  118.3412 57.33045 221.6168 80.06088 -103.2756      98.47094 
1 1 1 22 11 3  o 281.2834 57.51289 6.781601       2.212114  5.974390       3.094302  7.625401       3.163654  243.6108 78.74500 278.0635 77.50571 -34.45271      110.4894 
1 1 1 22 11 5  o 216.6516 65.29145 4.311072       2.166808  5.527918       3.095860  3.142567       3.033743  233.0280 78.89886 189.1007 75.37922 43.92725       109.1195 
1 1 1 22 11 7  o 103.3341 49.66874 -2.228358      2.122467  -5.234570      2.964216  0.9345310      3.040479  105.6547 52.38562 156.9796 69.43195 -51.32490      86.97729 
1 1 1 22 11 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 11 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 11 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 11 15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 12 0  o 496.2177 54.84387 19.51123       3.731454  19.51123       3.731454  19.51123       3.731454  496.2177 54.84387 496.2177 54.84387 0.000000       0.000000 
1 1 1 22 12 2  o 235.3538 63.08077 5.022671       2.143633  7.756486       3.135698  2.624111       2.937142  279.1849 76.91409 179.5678 73.24130 99.61714       106.2076 
1 1 1 22 12 4  o 114.1387 53.51559 -1.260688      2.179219  0.7121236E-01  3.231392  -2.371754      2.951371  150.2516 68.54763 123.3025 59.08334 26.94914       90.49651 
1 1 1 22 12 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 12 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 12 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 12 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 12 14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 13 1  o 103.1725 49.67962 -2.288162      2.145563  -2.176143      2.989925  -2.407083      3.080677  125.1699 59.84056 125.3618 60.14760 -0.1918640     84.84472 
1 1 1 22 13 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 13 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 13 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 13 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 13 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 13 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 14 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 15 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 15 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 15 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 15 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 15 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 15 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 16 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 16 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 16 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 16 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 16 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 16 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 17 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 17 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 17 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 17 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 17 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 18 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 18 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 18 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 18 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 19 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 22 19 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 0  1  o 79.49416 54.90322 -1.281694      2.081872  -1.281694      2.081872  -1.281694      2.081872  79.49416 54.90322 79.49416 54.90322 0.000000       0.000000 
1 1 1 23 0  3  o 94.44509 62.05659 0.8125464E-02  2.092808  0.8125464E-02  2.092808  0.8125464E-02  2.092808  94.44509 62.05659 94.44509 62.05659 0.000000       0.000000 
1 1 1 23 0  5  f 88.25868 59.01691 -0.3547375     2.033694  -0.3547375     2.033694  -0.3547375     2.033694  88.25868 59.01691 88.25868 59.01691 0.000000       0.000000 
1 1 1 23 0  7  o 80.22831 56.78539 -2.711116      2.655046  -2.711116      2.655046  -2.711116      2.655046  80.22831 56.78539 80.22831 56.78539 0.000000       0.000000 
1 1 1 23 0  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 0  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 0  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 0  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 1  0  o 101.2744 64.19749 0.5793428      1.988842  0.5793428      1.988842  0.5793428      1.988842  101.2744 64.19749 101.2744 64.19749 0.000000       0.000000 
1 1 1 23 1  2  o 204.7704 51.22411 3.470814       1.480574  2.641516       2.097513  4.294338       2.090200  178.8236 64.61502 220.7779 63.50344 -41.95430      90.59684 
1 1 1 23 1  4  o 195.5050 53.45080 3.212526       1.520982  3.211708       2.161880  3.213327       2.140270  191.7799 65.91029 191.8423 65.59093 -0.6234741E-01 92.98568 
1 1 1 23 1  6  o 240.3062 52.49797 4.820984       1.735309  4.066084       2.453143  5.577061       2.455053  209.8169 70.22945 246.4645 68.11749 -36.64760      97.83746 
1 1 1 23 1  8  o 126.8362 56.18669 0.8186076E-01  1.998630  -0.5555742     2.864168  0.6868230      2.790260  138.6999 63.74625 151.5434 66.79251 -12.84349      92.32997 
1 1 1 23 1  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 1  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 1  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 1  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 2  1  o 118.0065 50.10781 0.3769253      1.457114  -1.259898      2.111934  1.863940       2.012969  114.0961 53.22970 160.6985 62.19019 -46.60233      81.85976 
1 1 1 23 2  3  o 128.6973 52.05732 0.8683924      1.469436  -1.135381      2.073323  2.890727       2.082904  114.1419 53.07943 184.1851 64.61556 -70.04319      83.62175 
1 1 1 23 2  5  o 160.7001 58.53141 2.036933       1.725718  3.076378       2.418718  0.9591231      2.462951  188.2401 69.17690 150.5811 64.57503 37.65901       94.63286 
1 1 1 23 2  7  f 219.0035 63.20947 4.303501       2.067559  1.223609       2.878800  7.584572       2.971335  160.2252 69.27137 282.3697 73.61318 -122.1445      101.0813 
1 1 1 23 2  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 2  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 2  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 2  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 3  0  o 104.0446 66.06138 0.6265052      2.116003  0.6265052      2.116003  0.6265052      2.116003  104.0446 66.06138 104.0446 66.06138 0.000000       0.000000 
1 1 1 23 3  2  o 207.7639 52.43190 3.605817       1.541450  1.284388       2.174265  5.951636       2.185657  151.3934 62.51892 262.7790 60.08355 -111.3857      86.71014 
1 1 1 23 3  4  o 127.2657 54.40537 0.4798607      1.738256  -0.4530979     2.449620  1.426106       2.467001  131.5833 59.89610 157.9901 66.03028 -26.40674      89.14898 
1 1 1 23 3  6  o 166.5185 58.40915 2.285322       1.701947  5.071094       2.456765  -0.2852873     2.359983  233.2751 69.34217 130.9976 59.29654 102.2775       91.23824 
1 1 1 23 3  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 3  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 3  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 3  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 3  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 4  1  o 152.7820 58.18787 1.695124       1.742978  -1.850649      2.420061  5.516705       2.512420  116.4346 55.14010 244.8302 69.36491 -128.3956      88.61107 
1 1 1 23 4  3  o 80.99274 39.99945 -3.227113      1.667182  -3.913316      2.404491  -2.591787      2.313635  99.82191 49.05292 106.8460 51.48390 -7.024086      71.11105 
1 1 1 23 4  5  o 292.5153 44.04958 6.798230       1.766993  6.225400       2.483504  7.385494       2.514598  261.5117 66.85546 289.3065 63.19040 -27.79483      91.99282 
1 1 1 23 4  7  o 177.5406 61.77987 2.710898       1.901815  2.443390       2.469979  3.100425       2.980538  174.3692 68.48315 188.9377 74.90959 -14.56851      101.4958 
1 1 1 23 4  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 4  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 4  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 4  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 5  0  f 132.4287 81.37045 1.793864       2.948031  1.793864       2.948031  1.793864       2.948031  132.4287 81.37045 132.4287 81.37045 0.000000       0.000000 
1 1 1 23 5  2  o 365.0200 46.67177 10.64748       2.355882  12.23097       3.162757  8.673773       3.531020  376.8659 61.41347 293.7721 81.88139 83.09378       102.3532 
1 1 1 23 5  4  o 116.2128 54.13234 -1.131745      2.170527  -4.615122      3.044771  2.467561       3.095023  111.7856 54.98475 180.3918 74.55193 -68.60625      92.63538 
1 1 1 23 5  6  o 129.9515 57.62278 0.1251723      2.107152  -0.4363847     3.039912  0.6445171      2.923426  143.0887 65.73011 152.9360 67.84030 -9.847351      94.46033 
1 1 1 23 5  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 5  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 5  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 5  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 5  16 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 6  1  o 114.3820 53.10254 -1.018049      2.061817  -1.906846      2.842528  -0.3124267E-01 2.995156  125.7753 59.62114 146.9604 66.63351 -21.18513      89.41312 
1 1 1 23 6  3  o 447.1360 38.75555 15.42817       2.428219  16.73779       3.414697  14.08849       3.453675  447.9815 55.01448 402.0470 62.74802 45.93445       83.45003 
1 1 1 23 6  5  o 144.2087 61.51014 0.9235186      2.212984  -1.627760      3.081803  3.639563       3.179760  132.8506 62.70674 198.1066 77.73344 -65.25607      99.87303 
1 1 1 23 6  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 6  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 6  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 6  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 6  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 7  0  o 160.5026 91.10867 3.408284       3.206397  3.408284       3.206397  3.408284       3.206397  160.5026 91.10867 160.5026 91.10867 0.000000       0.000000 
1 1 1 23 7  2  f 263.9357 60.34087 6.117608       2.204637  8.798378       3.202293  3.702136       3.039712  302.0107 75.21085 199.0126 76.57990 102.9981       107.3366 
1 1 1 23 7  4  o 141.2073 60.24276 0.8571861      2.123529  -2.396399      2.924252  4.487098       3.088743  123.0494 58.92177 212.6676 78.17015 -89.61819      97.88947 
1 1 1 23 7  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 7  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 7  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 7  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 7  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 8  1  o 158.3393 62.74648 1.839396       2.090230  1.606573       2.921188  2.083669       2.992152  164.5813 70.44712 172.1021 72.37510 -7.520721      100.9998 
1 1 1 23 8  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 8  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 8  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 8  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 8  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 8  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 9  14 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 10 13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 11 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 12 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 12 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 12 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 12 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 12 9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 12 11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 13 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 13 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 13 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 13 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 13 8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 13 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 14 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 14 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 14 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 14 7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 15 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 15 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 15 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 15 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 16 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 23 16 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 0  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 1  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 1  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 1  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 1  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 1  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 1  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 2  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 3  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 3  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 3  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 3  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 3  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 3  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 4  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 5  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 5  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 5  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 5  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 5  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 5  11 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 6  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 6  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 6  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 6  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 6  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 6  10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 7  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 7  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 7  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 7  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 7  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 8  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 8  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 8  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 8  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 8  8  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 9  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 9  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 9  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 9  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 10 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 10 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 10 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 10 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 11 1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 11 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 11 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 12 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 24 12 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 0  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 0  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 1  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 1  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 1  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 1  6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 2  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 2  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 2  5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 3  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 3  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 3  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 4  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 4  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 5  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 25 5  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
# 
#END OF REFLECTIONS
